Running test suite all

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All tests status: ERROR

Test suite all finished

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• auto_pak_rnp_function
• vrms_refinement
• symmetry_information
• solutions

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  Molecule(
    ensemble = overlap,
    rotation = ( 35.50, 88.08, 270.02 ),
    translation = ( 0.06768, 0.18001, 0.36751 )
    )

  Molecule(
    ensemble = overlap,
    rotation = ( 287.32, 90.78, 269.52 ),
    translation = ( 0.00086, 0.49985, 0.12103 )
    )

  Molecule(
    ensemble = overlap,
    rotation = ( 35.50, 88.07, 270.00 ),
    translation = ( 0.06768, 0.18001, 0.36750 )
    )

  Molecule(
    ensemble = overlap,
    rotation = ( 287.34, 90.77, 269.54 ),
    translation = ( 0.00084, 0.49987, 0.12096 )
    )

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--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 8, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test

Jump to output, comparison, summary or Overview of tests

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• auto_pak_rnp_function
• symmetry_information
• solutions
• vrms_refinement

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  Molecule(
    ensemble = overlap,
    rotation = ( 35.50, 88.08, 270.02 ),
    translation = ( 0.06768, 0.18001, 0.36751 )
    )

  Molecule(
    ensemble = overlap,
    rotation = ( 287.32, 90.78, 269.52 ),
    translation = ( 0.00086, 0.49985, 0.12103 )
    )

  Molecule(
    ensemble = overlap,
    rotation = ( 35.50, 88.07, 270.00 ),
    translation = ( 0.06768, 0.18001, 0.36750 )
    )

  Molecule(
    ensemble = overlap,
    rotation = ( 287.34, 90.77, 269.54 ),
    translation = ( 0.00084, 0.49987, 0.12096 )
    )

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Back to test

--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 8, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

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Jump to output, comparison, summary or Overview of tests

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• auto_pak_rnp_function
• symmetry_information
• solutions
• vrms_refinement

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  Molecule(
    ensemble = toxd_ed,
    rotation = ( 0.00, 0.00, 0.00 ),
    translation = ( -0.00000, -0.00000, 0.00000 )
    )

  Molecule(
    ensemble = toxd_ed,
    rotation = ( 0.00, 0.00, 0.00 ),
    translation = ( 0.00000, 0.00000, 0.00000 )
    )

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--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 6, failures: 0, unknowns: 0, disabled: 1 sections, 0 tests

Back to test

Jump to output, comparison, summary or Overview of tests

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• auto_pak_rnp_function
• symmetry_information
• solutions
• vrms_refinement

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  Molecule(
    ensemble = toxd_ed,
    rotation = ( 0.00, 0.00, 0.00 ),
    translation = ( -0.00000, -0.00000, 0.00000 )
    )

  Molecule(
    ensemble = toxd_ed,
    rotation = ( 0.00, 0.00, 0.00 ),
    translation = ( 0.00000, 0.00000, 0.00000 )
    )

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--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 6, failures: 0, unknowns: 0, disabled: 1 sections, 0 tests

Back to test

Jump to output, comparison, summary or Overview of tests

Back to test

• mr_dataset_statistics
• symmetry_information
• anisotropy_correction

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Back to comparisons

Back to comparisons

Back to test

--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test

Jump to output, comparison, summary or Overview of tests

Back to test

• mr_dataset_statistics
• symmetry_information
• anisotropy_correction

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Back to comparisons

Back to comparisons

Back to test

--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test

Jump to output, comparison, summary or Overview of tests

Back to test

• sad_specific_statistics
• ep_dataset_statistics
• ep_phasing_statistics

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  Atom I(
    coords = ( 0.15688, 0.15688, 0.50000 ),
    occ = 0.667,
    uiso = 0.3020
    )

  Atom I(
    coords = ( 0.00665, 0.30374, 0.65033 ),
    occ = 0.703,
    uiso = 0.3036
    )

  Atom I(
    coords = ( 0.09223, 0.13142, 0.39617 ),
    occ = 0.484,
    uiso = 0.2558
    )

  Atom I(
    coords = ( 0.10181, 0.60933, 0.78081 ),
    occ = 0.287,
    uiso = 0.2397
    )

  Atom I(
    coords = ( 0.03922, 0.92113, 0.41822 ),
    occ = 0.332,
    uiso = 0.3518
    )

  Atom I(
    coords = ( 0.12609, 0.64971, 0.18342 ),
    occ = 0.289,
    uiso = 0.2865
    )

  Atom I(
    coords = ( 0.04192, 0.26111, 0.82744 ),
    occ = 0.376,
    uiso = 0.3395
    )

  Atom I(
    coords = ( 0.04032, 0.63306, 0.11529 ),
    occ = 0.339,
    uiso = 0.3049
    )

  Atom I(
    coords = ( 0.12026, 0.75490, 0.91326 ),
    occ = 0.131,
    uiso = 0.1861
    )

  Atom I(
    coords = ( 0.14187, 0.80057, 0.15359 ),
    occ = 0.193,
    uiso = 0.3087
    )

  Atom I(
    coords = ( 0.13969, 0.85178, 0.13266 ),
    occ = 0.140,
    uiso = 0.2764
    )

  Atom I(
    coords = ( 0.04164, 0.69209, 0.48558 ),
    occ = 0.143,
    uiso = 0.2791
    )

  Atom I(
    coords = ( 0.12990, 0.16834, 0.15434 ),
    occ = 0.105,
    uiso = 0.2346
    )

  Atom I(
    coords = ( 0.03656, 0.38654, 0.72037 ),
    occ = 0.121,
    uiso = 0.2861
    )

  Atom I(
    coords = ( 0.15688, 0.15688, 0.50000 ),
    occ = 0.667,
    uiso = 0.3020
    )

  Atom I(
    coords = ( 0.00665, 0.30374, 0.65033 ),
    occ = 0.703,
    uiso = 0.3036
    )

  Atom I(
    coords = ( 0.09223, 0.13142, 0.39617 ),
    occ = 0.484,
    uiso = 0.2558
    )

  Atom I(
    coords = ( 0.10181, 0.60933, 0.78081 ),
    occ = 0.287,
    uiso = 0.2397
    )

  Atom I(
    coords = ( 0.03922, 0.92113, 0.41822 ),
    occ = 0.332,
    uiso = 0.3518
    )

  Atom I(
    coords = ( 0.12609, 0.64971, 0.18342 ),
    occ = 0.289,
    uiso = 0.2865
    )

  Atom I(
    coords = ( 0.04192, 0.26111, 0.82744 ),
    occ = 0.376,
    uiso = 0.3395
    )

  Atom I(
    coords = ( 0.04032, 0.63306, 0.11529 ),
    occ = 0.339,
    uiso = 0.3049
    )

  Atom I(
    coords = ( 0.12026, 0.75490, 0.91326 ),
    occ = 0.131,
    uiso = 0.1861
    )

  Atom I(
    coords = ( 0.14187, 0.80057, 0.15359 ),
    occ = 0.193,
    uiso = 0.3087
    )

  Atom I(
    coords = ( 0.13969, 0.85178, 0.13266 ),
    occ = 0.140,
    uiso = 0.2764
    )

  Atom I(
    coords = ( 0.04164, 0.69209, 0.48558 ),
    occ = 0.143,
    uiso = 0.2791
    )

  Atom I(
    coords = ( 0.12990, 0.16834, 0.15434 ),
    occ = 0.105,
    uiso = 0.2346
    )

  Atom I(
    coords = ( 0.03656, 0.38654, 0.72037 ),
    occ = 0.121,
    uiso = 0.2861
    )

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--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test

Jump to output, comparison, summary or Overview of tests

Back to test

• sad_specific_statistics
• ep_dataset_statistics
• ep_phasing_statistics

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  Atom I(
    coords = ( 0.15688, 0.15688, 0.50000 ),
    occ = 0.667,
    uiso = 0.3020
    )

  Atom I(
    coords = ( 0.00665, 0.30374, 0.65033 ),
    occ = 0.703,
    uiso = 0.3036
    )

  Atom I(
    coords = ( 0.09223, 0.13142, 0.39617 ),
    occ = 0.484,
    uiso = 0.2558
    )

  Atom I(
    coords = ( 0.10181, 0.60933, 0.78081 ),
    occ = 0.287,
    uiso = 0.2397
    )

  Atom I(
    coords = ( 0.03922, 0.92113, 0.41822 ),
    occ = 0.332,
    uiso = 0.3518
    )

  Atom I(
    coords = ( 0.12609, 0.64971, 0.18342 ),
    occ = 0.289,
    uiso = 0.2865
    )

  Atom I(
    coords = ( 0.04192, 0.26111, 0.82744 ),
    occ = 0.376,
    uiso = 0.3395
    )

  Atom I(
    coords = ( 0.04032, 0.63306, 0.11529 ),
    occ = 0.339,
    uiso = 0.3049
    )

  Atom I(
    coords = ( 0.12026, 0.75490, 0.91326 ),
    occ = 0.131,
    uiso = 0.1861
    )

  Atom I(
    coords = ( 0.14187, 0.80057, 0.15359 ),
    occ = 0.193,
    uiso = 0.3087
    )

  Atom I(
    coords = ( 0.13969, 0.85178, 0.13266 ),
    occ = 0.140,
    uiso = 0.2764
    )

  Atom I(
    coords = ( 0.04164, 0.69209, 0.48558 ),
    occ = 0.143,
    uiso = 0.2791
    )

  Atom I(
    coords = ( 0.12990, 0.16834, 0.15434 ),
    occ = 0.105,
    uiso = 0.2346
    )

  Atom I(
    coords = ( 0.03656, 0.38654, 0.72037 ),
    occ = 0.121,
    uiso = 0.2861
    )

  Atom I(
    coords = ( 0.15690, 0.15690, 0.50000 ),
    occ = 0.670,
    uiso = 0.3019
    )

  Atom I(
    coords = ( 0.00660, 0.30370, 0.65030 ),
    occ = 0.700,
    uiso = 0.3037
    )

  Atom I(
    coords = ( 0.09220, 0.13140, 0.39620 ),
    occ = 0.480,
    uiso = 0.2557
    )

  Atom I(
    coords = ( 0.10180, 0.60930, 0.78080 ),
    occ = 0.290,
    uiso = 0.2396
    )

  Atom I(
    coords = ( 0.03920, 0.92110, 0.41820 ),
    occ = 0.330,
    uiso = 0.3518
    )

  Atom I(
    coords = ( 0.12610, 0.64970, 0.18340 ),
    occ = 0.290,
    uiso = 0.2865
    )

  Atom I(
    coords = ( 0.04190, 0.26110, 0.82740 ),
    occ = 0.380,
    uiso = 0.3394
    )

  Atom I(
    coords = ( 0.04030, 0.63310, 0.11530 ),
    occ = 0.340,
    uiso = 0.3050
    )

  Atom I(
    coords = ( 0.12030, 0.75490, 0.91330 ),
    occ = 0.130,
    uiso = 0.1862
    )

  Atom I(
    coords = ( 0.14190, 0.80060, 0.15360 ),
    occ = 0.190,
    uiso = 0.3086
    )

  Atom I(
    coords = ( 0.13970, 0.85180, 0.13270 ),
    occ = 0.140,
    uiso = 0.2764
    )

  Atom I(
    coords = ( 0.04160, 0.69210, 0.48560 ),
    occ = 0.140,
    uiso = 0.2791
    )

  Atom I(
    coords = ( 0.12990, 0.16830, 0.15430 ),
    occ = 0.100,
    uiso = 0.2346
    )

  Atom I(
    coords = ( 0.03660, 0.38650, 0.72040 ),
    occ = 0.120,
    uiso = 0.2861
    )

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Back to test

--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test

Jump to output, comparison, summary or Overview of tests

Back to test

• auto_pak_rnp_function
• vrms_refinement
• symmetry_information
• solutions

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Back to comparisons

  Molecule(
    ensemble = barstar,
    rotation = ( 76.54, 179.22, 76.96 ),
    translation = ( -0.00081, -0.61612, 0.99607 )
    )

  Molecule(
    ensemble = barnase,
    rotation = ( 41.21, 179.63, 40.35 ),
    translation = ( 0.00224, -0.59432, -0.00061 )
    )

  Molecule(
    ensemble = barnase,
    rotation = ( 176.73, 48.01, 3.73 ),
    translation = ( -0.03417, 1.30175, 0.54315 )
    )

  Molecule(
    ensemble = barstar,
    rotation = ( 230.87, 36.36, 44.50 ),
    translation = ( -0.22116, 1.52177, 0.59395 )
    )

  Molecule(
    ensemble = barnase,
    rotation = ( 232.55, 34.96, 45.11 ),
    translation = ( -0.22841, 0.48240, 0.58824 )
    )

  Molecule(
    ensemble = barstar,
    rotation = ( 180.81, 51.69, 0.16 ),
    translation = ( -0.04034, 1.28861, 0.58031 )
    )

  Molecule(
    ensemble = barnase,
    rotation = ( 232.99, 34.88, 44.83 ),
    translation = ( -0.22903, 0.48069, 0.08952 )
    )

  Molecule(
    ensemble = barnase,
    rotation = ( 45.92, 179.20, 44.81 ),
    translation = ( 0.00266, -0.59407, 0.49757 )
    )

  Molecule(
    ensemble = barnase,
    rotation = ( 176.47, 48.08, 3.56 ),
    translation = ( -0.03230, 1.29732, 0.04559 )
    )

  Molecule(
    ensemble = barstar,
    rotation = ( 76.39, 179.35, 76.60 ),
    translation = ( -0.00011, -0.61317, 0.49650 )
    )

  Molecule(
    ensemble = barstar,
    rotation = ( 231.71, 36.57, 44.18 ),
    translation = ( -0.22307, 1.51268, 0.09618 )
    )

  Molecule(
    ensemble = barnase,
    rotation = ( 236.24, 36.63, 44.34 ),
    translation = ( -0.23347, 0.17225, 0.09824 )
    )

  Molecule(
    ensemble = barnase,
    rotation = ( 75.23, 179.15, 73.79 ),
    translation = ( 0.00454, -0.59807, 0.49400 )
    )

  Molecule(
    ensemble = barnase,
    rotation = ( 176.80, 48.34, 4.53 ),
    translation = ( -0.03683, 1.30078, 0.03671 )
    )

  Molecule(
    ensemble = barstar,
    rotation = ( 90.70, 179.84, 90.69 ),
    translation = ( 0.00065, -0.61637, 0.49889 )
    )

  Molecule(
    ensemble = barstar,
    rotation = ( 232.84, 36.57, 44.20 ),
    translation = ( -0.22661, 1.48750, 0.09385 )
    )

  Molecule(
    ensemble = barstar,
    rotation = ( 181.25, 52.26, 0.28 ),
    translation = ( -0.04274, 1.28792, 0.08479 )
    )

  Molecule(
    ensemble = barstar,
    rotation = ( 76.54, 179.22, 76.96 ),
    translation = ( -0.00081, -0.61612, 0.99607 )
    )

  Molecule(
    ensemble = barnase,
    rotation = ( 41.21, 179.63, 40.35 ),
    translation = ( 0.00224, -0.59432, -0.00061 )
    )

  Molecule(
    ensemble = barnase,
    rotation = ( 176.73, 48.01, 3.73 ),
    translation = ( -0.03417, 1.30175, 0.54315 )
    )

  Molecule(
    ensemble = barstar,
    rotation = ( 230.87, 36.36, 44.50 ),
    translation = ( -0.22116, 1.52177, 0.59395 )
    )

  Molecule(
    ensemble = barnase,
    rotation = ( 232.55, 34.96, 45.11 ),
    translation = ( -0.22841, 0.48240, 0.58824 )
    )

  Molecule(
    ensemble = barstar,
    rotation = ( 180.81, 51.69, 0.16 ),
    translation = ( -0.04034, 1.28861, 0.58031 )
    )

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Back to test

--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 6, unknowns: 0, disabled: 0 sections, 1 tests

Back to test

Jump to output, comparison, summary or Overview of tests

Back to test

• auto_pak_rnp_function
• symmetry_information
• solutions
• vrms_refinement

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Back to comparisons

  Molecule(
    ensemble = barstar,
    rotation = ( 76.54, 179.22, 76.96 ),
    translation = ( -0.00081, -0.61612, 0.99607 )
    )

  Molecule(
    ensemble = barnase,
    rotation = ( 41.21, 179.63, 40.35 ),
    translation = ( 0.00224, -0.59432, -0.00061 )
    )

  Molecule(
    ensemble = barnase,
    rotation = ( 176.73, 48.01, 3.73 ),
    translation = ( -0.03417, 1.30175, 0.54315 )
    )

  Molecule(
    ensemble = barstar,
    rotation = ( 230.87, 36.36, 44.50 ),
    translation = ( -0.22116, 1.52177, 0.59395 )
    )

  Molecule(
    ensemble = barnase,
    rotation = ( 232.55, 34.96, 45.11 ),
    translation = ( -0.22841, 0.48240, 0.58824 )
    )

  Molecule(
    ensemble = barstar,
    rotation = ( 180.81, 51.69, 0.16 ),
    translation = ( -0.04034, 1.28861, 0.58031 )
    )

  Molecule(
    ensemble = barnase,
    rotation = ( 232.99, 34.88, 44.83 ),
    translation = ( -0.22903, 0.48069, 0.08952 )
    )

  Molecule(
    ensemble = barnase,
    rotation = ( 45.92, 179.20, 44.81 ),
    translation = ( 0.00266, -0.59407, 0.49757 )
    )

  Molecule(
    ensemble = barnase,
    rotation = ( 176.47, 48.08, 3.56 ),
    translation = ( -0.03230, 1.29732, 0.04559 )
    )

  Molecule(
    ensemble = barstar,
    rotation = ( 76.39, 179.35, 76.60 ),
    translation = ( -0.00011, -0.61317, 0.49650 )
    )

  Molecule(
    ensemble = barstar,
    rotation = ( 231.71, 36.57, 44.18 ),
    translation = ( -0.22307, 1.51268, 0.09618 )
    )

  Molecule(
    ensemble = barnase,
    rotation = ( 236.24, 36.63, 44.34 ),
    translation = ( -0.23347, 0.17225, 0.09824 )
    )

  Molecule(
    ensemble = barnase,
    rotation = ( 75.23, 179.15, 73.79 ),
    translation = ( 0.00454, -0.59807, 0.49400 )
    )

  Molecule(
    ensemble = barnase,
    rotation = ( 176.80, 48.34, 4.53 ),
    translation = ( -0.03683, 1.30078, 0.03671 )
    )

  Molecule(
    ensemble = barstar,
    rotation = ( 90.70, 179.84, 90.69 ),
    translation = ( 0.00065, -0.61637, 0.49889 )
    )

  Molecule(
    ensemble = barstar,
    rotation = ( 232.84, 36.57, 44.20 ),
    translation = ( -0.22661, 1.48750, 0.09385 )
    )

  Molecule(
    ensemble = barstar,
    rotation = ( 181.25, 52.26, 0.28 ),
    translation = ( -0.04274, 1.28792, 0.08479 )
    )

  Molecule(
    ensemble = barstar,
    rotation = ( 76.54, 179.22, 76.96 ),
    translation = ( -0.00081, -0.61612, 0.99607 )
    )

  Molecule(
    ensemble = barnase,
    rotation = ( 41.20, 179.63, 40.35 ),
    translation = ( 0.00224, -0.59432, -0.00061 )
    )

  Molecule(
    ensemble = barnase,
    rotation = ( 176.73, 48.01, 3.73 ),
    translation = ( -0.03417, 1.30175, 0.54315 )
    )

  Molecule(
    ensemble = barstar,
    rotation = ( 230.87, 36.36, 44.50 ),
    translation = ( -0.22116, 1.52177, 0.59395 )
    )

  Molecule(
    ensemble = barnase,
    rotation = ( 232.55, 34.96, 45.11 ),
    translation = ( -0.22841, 0.48240, 0.58824 )
    )

  Molecule(
    ensemble = barstar,
    rotation = ( 180.81, 51.69, 0.16 ),
    translation = ( -0.04034, 1.28861, 0.58031 )
    )

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Back to comparisons

Back to test

--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 5, unknowns: 0, disabled: 0 sections, 1 tests

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Jump to output, comparison, summary or Overview of tests

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• ep_dataset_statistics
• ep_phasing_statistics

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  Atom S(
    coords = ( 0.90751, 0.39970, 0.35138 ),
    occ = 3.592,
    uiso = 0.0658
    )

  Atom S(
    coords = ( 0.55209, 0.46316, 0.04472 ),
    occ = 0.973,
    uiso = 0.0715
    )

  Atom S(
    coords = ( 0.90751, 0.39970, 0.35138 ),
    occ = 3.592,
    uiso = 0.0658
    )

  Atom S(
    coords = ( 0.55209, 0.46316, 0.04472 ),
    occ = 0.973,
    uiso = 0.0715
    )

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--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 4, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

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Jump to output, comparison, summary or Overview of tests

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• ep_dataset_statistics
• ep_phasing_statistics

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  Atom S(
    coords = ( 0.90751, 0.39970, 0.35138 ),
    occ = 3.592,
    uiso = 0.0658
    )

  Atom S(
    coords = ( 0.55209, 0.46316, 0.04472 ),
    occ = 0.973,
    uiso = 0.0715
    )

  Atom S(
    coords = ( 0.90750, 0.39970, 0.35140 ),
    occ = 3.590,
    uiso = 0.0659
    )

  Atom S(
    coords = ( 0.55210, 0.46320, 0.04470 ),
    occ = 0.970,
    uiso = 0.0716
    )

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--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 4, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

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Jump to output, comparison, summary or Overview of tests

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• sad_specific_statistics
• ep_dataset_statistics
• ep_phasing_statistics

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  Atom YB(
    coords = ( -0.26695, -0.49333, -0.38795 ),
    occ = 1.164,
    uiso = -1.0000
    )

  Atom YB(
    coords = ( 0.13020, 0.47982, -0.26698 ),
    occ = 0.966,
    uiso = 0.1510
    )

  Atom YB(
    coords = ( 0.02337, 0.42927, -0.33406 ),
    occ = 1.126,
    uiso = -1.0000
    )

  Atom YB(
    coords = ( 0.15181, 0.00340, -0.46847 ),
    occ = 0.824,
    uiso = 0.0859
    )

  Atom YB(
    coords = ( -0.26695, -0.49333, -0.38795 ),
    occ = 1.164,
    uiso = -1.0000
    )

  Atom YB(
    coords = ( 0.13020, 0.47982, -0.26698 ),
    occ = 0.966,
    uiso = 0.1510
    )

  Atom YB(
    coords = ( 0.02337, 0.42927, -0.33406 ),
    occ = 1.126,
    uiso = -1.0000
    )

  Atom YB(
    coords = ( 0.15181, 0.00340, -0.46847 ),
    occ = 0.824,
    uiso = 0.0859
    )

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--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

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Jump to output, comparison, summary or Overview of tests

Back to test

• sad_specific_statistics
• ep_dataset_statistics
• ep_phasing_statistics

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Back to comparisons

  Atom YB(
    coords = ( -0.26695, -0.49333, -0.38795 ),
    occ = 1.164,
    uiso = -1.0000
    )

  Atom YB(
    coords = ( 0.13020, 0.47982, -0.26698 ),
    occ = 0.966,
    uiso = 0.1510
    )

  Atom YB(
    coords = ( 0.02337, 0.42927, -0.33406 ),
    occ = 1.126,
    uiso = -1.0000
    )

  Atom YB(
    coords = ( 0.15181, 0.00340, -0.46847 ),
    occ = 0.824,
    uiso = 0.0859
    )

  Atom YB(
    coords = ( 0.26690, 0.49330, 0.38790 ),
    occ = 1.160,
    uiso = -1.0000
    )

  Atom YB(
    coords = ( -0.13020, -0.47980, 0.26700 ),
    occ = 0.970,
    uiso = 0.1510
    )

  Atom YB(
    coords = ( -0.02340, -0.42930, 0.33410 ),
    occ = 1.130,
    uiso = -1.0000
    )

  Atom YB(
    coords = ( -0.15180, -0.00340, 0.46850 ),
    occ = 0.820,
    uiso = 0.0859
    )

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Back to test

--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test

Jump to output, comparison, summary or Overview of tests

Back to test

• auto_pak_rnp_function
• vrms_refinement
• symmetry_information
• solutions

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Back to comparisons

Back to comparisons

  Molecule(
    ensemble = beta2,
    rotation = ( 200.30, 41.75, 183.31 ),
    translation = ( -0.49425, -0.15062, -0.28296 )
    )

  Molecule(
    ensemble = beta1,
    rotation = ( 202.93, 39.60, 183.51 ),
    translation = ( -0.51011, -0.16558, -0.27964 )
    )

  Molecule(
    ensemble = beta2,
    rotation = ( 200.30, 41.75, 183.32 ),
    translation = ( -0.49414, -0.15063, -0.28295 )
    )

  Molecule(
    ensemble = beta1,
    rotation = ( 202.93, 39.59, 183.51 ),
    translation = ( -0.51019, -0.16561, -0.27962 )
    )

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Back to test

--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 8, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test

Jump to output, comparison, summary or Overview of tests

Back to test

• auto_pak_rnp_function
• symmetry_information
• solutions
• vrms_refinement

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Back to comparisons

  Molecule(
    ensemble = beta2,
    rotation = ( 200.30, 41.75, 183.31 ),
    translation = ( -0.49425, -0.15062, -0.28296 )
    )

  Molecule(
    ensemble = beta1,
    rotation = ( 202.93, 39.60, 183.51 ),
    translation = ( -0.51011, -0.16558, -0.27964 )
    )

  Molecule(
    ensemble = beta2,
    rotation = ( 200.30, 41.75, 183.31 ),
    translation = ( -0.49414, -0.15063, -0.28295 )
    )

  Molecule(
    ensemble = beta1,
    rotation = ( 202.93, 39.59, 183.51 ),
    translation = ( -0.51019, -0.16561, -0.27962 )
    )

Back to comparisons

Back to comparisons

Back to test

--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 8, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test

Jump to output, comparison, summary or Overview of tests

Back to test

• auto_pak_rnp_function
• vrms_refinement
• symmetry_information
• solutions

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Back to comparisons

Back to comparisons

  Molecule(
    ensemble = 1i6p,
    rotation = ( 359.25, 92.57, 135.55 ),
    translation = ( -0.20467, 0.49903, -0.89044 )
    )

  Molecule(
    ensemble = 1i6p,
    rotation = ( 177.94, 86.40, 135.03 ),
    translation = ( -0.08444, -0.51122, -0.89392 )
    )

  Molecule(
    ensemble = 1i6p,
    rotation = ( 241.25, 85.40, 132.71 ),
    translation = ( -0.00543, 0.49648, -0.89986 )
    )

  Molecule(
    ensemble = 1i6p,
    rotation = ( 359.26, 92.57, 135.56 ),
    translation = ( -0.20471, 0.49909, -0.89020 )
    )

  Molecule(
    ensemble = 1i6p,
    rotation = ( 177.95, 86.26, 134.92 ),
    translation = ( -0.08497, -0.51044, -0.89635 )
    )

  Molecule(
    ensemble = 1i6p,
    rotation = ( 241.24, 85.40, 132.71 ),
    translation = ( -0.00542, 0.49642, -0.89986 )
    )

Back to comparisons

Back to test

--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 8, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test

Jump to output, comparison, summary or Overview of tests

Back to test

• auto_pak_rnp_function
• symmetry_information
• solutions
• vrms_refinement

Back to comparisons

Back to comparisons

  Molecule(
    ensemble = 1i6p,
    rotation = ( 359.25, 92.57, 135.55 ),
    translation = ( -0.20467, 0.49903, -0.89044 )
    )

  Molecule(
    ensemble = 1i6p,
    rotation = ( 177.94, 86.40, 135.03 ),
    translation = ( -0.08444, -0.51122, -0.89392 )
    )

  Molecule(
    ensemble = 1i6p,
    rotation = ( 241.25, 85.40, 132.71 ),
    translation = ( -0.00543, 0.49648, -0.89986 )
    )

  Molecule(
    ensemble = 1i6p,
    rotation = ( 359.26, 92.57, 135.56 ),
    translation = ( -0.20471, 0.49909, -0.89020 )
    )

  Molecule(
    ensemble = 1i6p,
    rotation = ( 177.94, 86.26, 134.92 ),
    translation = ( -0.08497, -0.51044, -0.89635 )
    )

  Molecule(
    ensemble = 1i6p,
    rotation = ( 241.24, 85.40, 132.71 ),
    translation = ( -0.00542, 0.49642, -0.89986 )
    )

Back to comparisons

Back to comparisons

Back to test

--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 8, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test

Jump to output, comparison, summary or Overview of tests

Back to test

• auto_pak_rnp_function
• vrms_refinement
• symmetry_information
• solutions

Back to comparisons

Back to comparisons

Back to comparisons

  Molecule(
    ensemble = 2c1g_trim,
    rotation = ( 274.08, 60.20, 61.19 ),
    translation = ( -0.60129, -0.49911, -0.39721 )
    )

  Molecule(
    ensemble = 2c1g_trim,
    rotation = ( 86.08, 121.90, 240.68 ),
    translation = ( -1.10751, 0.38013, -0.11481 )
    )

  Molecule(
    ensemble = 2c1g_trim,
    rotation = ( 274.08, 60.21, 61.19 ),
    translation = ( -0.60123, -0.49904, -0.39727 )
    )

  Molecule(
    ensemble = 2c1g_trim,
    rotation = ( 86.06, 121.92, 240.69 ),
    translation = ( -1.10722, 0.38034, -0.11489 )
    )

Back to comparisons

Back to test

--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 8, failures: 1, unknowns: 0, disabled: 0 sections, 0 tests

Back to test

Jump to output, comparison, summary or Overview of tests

Back to test

• auto_pak_rnp_function
• symmetry_information
• solutions
• vrms_refinement

Back to comparisons

Back to comparisons

  Molecule(
    ensemble = 2c1g_trim,
    rotation = ( 274.08, 60.20, 61.19 ),
    translation = ( -0.60129, -0.49911, -0.39721 )
    )

  Molecule(
    ensemble = 2c1g_trim,
    rotation = ( 86.08, 121.90, 240.68 ),
    translation = ( -1.10751, 0.38013, -0.11481 )
    )

  Molecule(
    ensemble = 2c1g_trim,
    rotation = ( 274.08, 60.21, 61.19 ),
    translation = ( -0.60123, -0.49904, -0.39727 )
    )

  Molecule(
    ensemble = 2c1g_trim,
    rotation = ( 86.06, 121.92, 240.69 ),
    translation = ( -1.10722, 0.38034, -0.11489 )
    )

Back to comparisons

Back to comparisons

Back to test

--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 8, failures: 1, unknowns: 0, disabled: 0 sections, 0 tests

Back to test

Jump to output, comparison, summary or Overview of tests

Back to test

• auto_pak_rnp_function
• vrms_refinement
• symmetry_information
• solutions

Back to comparisons

Back to comparisons

Back to comparisons

  Molecule(
    ensemble = overlapshift,
    rotation = ( 215.53, 91.95, 270.06 ),
    translation = ( -0.26279, 0.15305, 0.15141 )
    )

  Molecule(
    ensemble = overlapshift,
    rotation = ( 107.33, 90.43, 271.03 ),
    translation = ( -0.59480, 0.41261, -0.09687 )
    )

  Molecule(
    ensemble = overlapshift,
    rotation = ( 215.53, 91.95, 270.06 ),
    translation = ( -0.26276, 0.15304, 0.15136 )
    )

  Molecule(
    ensemble = overlapshift,
    rotation = ( 107.39, 90.67, 270.80 ),
    translation = ( -0.59519, 0.41272, -0.09703 )
    )

Back to comparisons

Back to test

--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 8, failures: 1, unknowns: 0, disabled: 0 sections, 0 tests

Back to test

Jump to output, comparison, summary or Overview of tests

Back to test

• auto_pak_rnp_function
• symmetry_information
• solutions
• vrms_refinement

Back to comparisons

Back to comparisons

  Molecule(
    ensemble = overlapshift,
    rotation = ( 215.53, 91.95, 270.06 ),
    translation = ( -0.26279, 0.15305, 0.15141 )
    )

  Molecule(
    ensemble = overlapshift,
    rotation = ( 107.33, 90.43, 271.03 ),
    translation = ( -0.59480, 0.41261, -0.09687 )
    )

  Molecule(
    ensemble = overlapshift,
    rotation = ( 215.53, 91.95, 270.06 ),
    translation = ( -0.26276, 0.15304, 0.15136 )
    )

  Molecule(
    ensemble = overlapshift,
    rotation = ( 107.39, 90.67, 270.80 ),
    translation = ( -0.59519, 0.41272, -0.09703 )
    )

Back to comparisons

Back to comparisons

Back to test

--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 8, failures: 1, unknowns: 0, disabled: 0 sections, 0 tests

Back to test

Jump to output, comparison, summary or Overview of tests

Back to test

• auto_pak_rnp_function
• vrms_refinement
• symmetry_information
• solutions

Back to comparisons

Back to comparisons

Back to comparisons

  Molecule(
    ensemble = toxd_ed,
    rotation = ( 22.28, 0.98, 337.17 ),
    translation = ( -0.00277, -0.00275, 0.01351 )
    )

  Molecule(
    ensemble = toxd_ed,
    rotation = ( 22.30, 0.98, 337.16 ),
    translation = ( -0.00277, -0.00276, 0.01349 )
    )

Back to comparisons

Back to test

--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 8, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test

Jump to output, comparison, summary or Overview of tests

Back to test

• auto_pak_rnp_function
• symmetry_information
• solutions
• vrms_refinement

Back to comparisons

Back to comparisons

  Molecule(
    ensemble = toxd_ed,
    rotation = ( 22.28, 0.98, 337.17 ),
    translation = ( -0.00277, -0.00275, 0.01351 )
    )

  Molecule(
    ensemble = toxd_ed,
    rotation = ( 22.30, 0.98, 337.16 ),
    translation = ( -0.00277, -0.00276, 0.01349 )
    )

Back to comparisons

Back to comparisons

Back to test

--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 8, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test

Jump to output, comparison, summary or Overview of tests

Back to test

• auto_pak_rnp_function
• vrms_refinement
• symmetry_information
• solutions

Back to comparisons

Back to comparisons

Back to comparisons

  Molecule(
    ensemble = toxd,
    rotation = ( 142.59, 22.45, 202.59 ),
    translation = ( 0.88150, 0.19979, 0.92930 )
    )

  Molecule(
    ensemble = toxd,
    rotation = ( 142.59, 22.45, 202.59 ),
    translation = ( 0.88150, 0.19979, 0.92930 )
    )

Back to comparisons

Back to test

--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 8, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test

Jump to output, comparison, summary or Overview of tests

Back to test

• auto_pak_rnp_function
• symmetry_information
• solutions
• vrms_refinement

Back to comparisons

Back to comparisons

  Molecule(
    ensemble = toxd,
    rotation = ( 142.59, 22.45, 202.59 ),
    translation = ( 0.88150, 0.19979, 0.92930 )
    )

  Molecule(
    ensemble = toxd,
    rotation = ( 142.59, 22.45, 202.59 ),
    translation = ( 0.88150, 0.19979, 0.92930 )
    )

Back to comparisons

Back to comparisons

Back to test

--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 8, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test

Jump to output, comparison, summary or Overview of tests

Back to test

• translation_function
• symmetry_information
• solutions

Back to comparisons

Back to comparisons

  Molecule(
    ensemble = toxd,
    rotation = ( 146.42, 18.93, 201.21 ),
    translation = ( 0.37781, 0.17589, 0.47886 )
    )

  Molecule(
    ensemble = toxd,
    rotation = ( 146.42, 18.93, 201.21 ),
    translation = ( 0.37781, 0.16397, 0.00000 )
    )

  Molecule(
    ensemble = toxd,
    rotation = ( 146.42, 18.93, 201.21 ),
    translation = ( 0.37781, 0.17589, 0.47886 )
    )

  Molecule(
    ensemble = toxd,
    rotation = ( 146.42, 18.93, 201.21 ),
    translation = ( 0.37781, 0.16397, 0.00000 )
    )

Back to comparisons

Back to test

--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test

Jump to output, comparison, summary or Overview of tests

Back to test

• translation_function
• symmetry_information
• solutions

Back to comparisons

Back to comparisons

  Molecule(
    ensemble = toxd,
    rotation = ( 146.42, 18.93, 201.21 ),
    translation = ( 0.37781, 0.17589, 0.47886 )
    )

  Molecule(
    ensemble = toxd,
    rotation = ( 146.42, 18.93, 201.21 ),
    translation = ( 0.37781, 0.16397, 0.00000 )
    )

  Molecule(
    ensemble = toxd,
    rotation = ( 146.42, 18.93, 201.21 ),
    translation = ( 0.37781, 0.17589, 0.47886 )
    )

  Molecule(
    ensemble = toxd,
    rotation = ( 146.42, 18.93, 201.21 ),
    translation = ( 0.37781, 0.16397, 0.00000 )
    )

Back to comparisons

Back to test

--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test

Jump to output, traceback or message

Temporary folder: /tmp/tmpT6Jv0i
# Running test with phaser python interface using crash-safe mode #
(None, None, 'FP', 'SIGFP')
Executing input...



##########################################################################################
##########################################################################################
##########################################################################################
### PHENIX: Phaser                                                               2.8.3 ###
##########################################################################################
User:         phaserbuilder
Run time:     Thu Sep 30 04:32:21 2021
Version:      2.8.3
Release Date: Thu Sep 30 04:12:05 2021 (git 7539, 219b54030... )

If you use this software please cite:
"Phaser Crystallographic Software"
A.J. McCoy, R.W. Grosse-Kunstleve, P.D. Adams, M.D. Winn, L.C. Storoni & R.J. Read
J. Appl. Cryst. (2007). 40, 658-674
PDF



******************************************************************************************
*** Phaser Module: PREPROCESSOR                                                  2.8.3 ***
******************************************************************************************

CELL 92.344 23.827 63.525 90 130.241 90
COMPOSITION BY ASU
COMPOSITION PROTEIN MW 12212 NUM 1
ELLG HIRES ON
#ENSEMBLE helix_ala STR helix
ENSEMBLE helix_pdb PDB &
"/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/data/regression/helix.pdb" RMS &
0.5 
JOBS 23
LABIN F = FP SIGF = SIGFP
ROOT "/tmp/tmpT6Jv0i/PHASER"
SEARCH ENSEMBLE helix_pdb 
SEARCH ENSEMBLE helix_pdb 
SEARCH ENSEMBLE helix_pdb 
SEARCH ENSEMBLE helix_pdb 
SGALT BASE  C 2y
SPACEGROUP C 1 2 1

CPU Time: 0 days 0 hrs 0 mins 0.02 secs (      0.02 secs)
Finished: Thu Sep 30 04:32:21 2021

******************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                               2.8.3 ***
******************************************************************************************

** Steps:
**    Cell Content Analysis
**    Anisotropy correction
**    Translational NCS correction
**    Rotation Function
**    Translation Function
**    Packing
**    Refinement
**    Final Refinement (if data higher resolution than search resolution)
** Number of search ensembles = 4
** Search Method: FAST
** Input Search Order:
**    #1   helix_pdb  
**    #2   helix_pdb  
**    #3   helix_pdb  
**    #4   helix_pdb  
** Automatic (best predicted) search order WILL be used

CPU Time: 0 days 0 hrs 0 mins 0.02 secs (      0.02 secs)
Finished: Thu Sep 30 04:32:21 2021

******************************************************************************************
*** Phaser Module: CELL CONTENT ANALYSIS                                         2.8.3 ***
******************************************************************************************

   Space-Group Name (Hall Symbol): C 1 2 1 ( C 2y)
   Space-Group Number: 5
   Unit Cell:   92.34   23.83   63.52   90.00  130.24   90.00

--------------------
SPACE GROUP ANALYSIS
--------------------

   Input Space Group: C 1 2 1

   (a) Space groups derived by translation (screw) symmetry
   --------------------------------------------------------
   Z   Space Group    Hall Symbol
   ----
   4   C 1 2 1        C 2y
   ----

   (b) Subgroups of space group for perfect twinning expansions
   ------------------------------------------------------------
   R: Reindexing operation required (*)
   Only subgroups related by rotational symmetry are reported
   Z   Space Group   R Hall Symbol
   ----
   2   C 1           * P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)
   ---
   4   C 1 2 1         C 2y
   ----

   Composition is of type: PROTEIN
   MW to which Matthews applies: 12212
   Resolution for Matthews calculation:  2.92

   Z       MW         VM    % solvent  rel. freq.
   1       12212      2.18  43.69      1.000       <== most probable

   Z is the number of multiples of the total composition
   In most cases the most probable Z value should be 1
   If it is not 1, you may need to consider other compositions

   Histogram of relative frequencies of VM values
   ----------------------------------------------
   Frequency of most common VM value normalized to 1
   VM values plotted in increments of 1/VM (0.02)

        <--- relative frequency --->
        0.0  0.1  0.2  0.3  0.4  0.5  0.6  0.7  0.8  0.9  1.0  
        |    |    |    |    |    |    |    |    |    |    |    
   10.00 -
    8.33 -
    7.14 -
    6.25 -
    5.56 -
    5.00 -
    4.55 -
    4.17 --
    3.85 ----
    3.57 ------
    3.33 ---------
    3.12 --------------
    2.94 --------------------
    2.78 ---------------------------
    2.63 -----------------------------------
    2.50 ------------------------------------------
    2.38 ------------------------------------------------
    2.27 --------------------------------------------------
    2.17 ************************************************ (COMPOSITION*1)
    2.08 -----------------------------------------
    2.00 ------------------------------
    1.92 -------------------
    1.85 ----------
    1.79 -----
    1.72 --
    1.67 -
    1.61 -
    1.56 -
    1.52 -
    1.47 -
    1.43 -
    1.39 -
    1.35 -
    1.32 -
    1.28 -
    1.25 -

   Most probable VM for resolution = 2.27165
   Most probable MW of protein in asu for resolution = 11741.8

CPU Time: 0 days 0 hrs 0 mins 0.05 secs (      0.05 secs)
Finished: Thu Sep 30 04:32:21 2021

******************************************************************************************
*** Phaser Module: ANISOTROPY CORRECTION                                         2.8.3 ***
******************************************************************************************

------------------------------
DATA FOR ANISOTROPY CORRECTION
------------------------------

   Resolution of All Data (Number):        2.92  48.49 (2447)
   Resolution of Selected Data (Number):   2.92  48.49 (2447)

   Outlier Rejection
   -----------------
   No reflections are outliers

---------------------
ANISOTROPY CORRECTION
---------------------

   Protocol cycle #1 of 3
   Refinement protocol for this macrocycle:
   BIN SCALES: REFINE
   ANISOTROPY: REFINE
   SOLVENT K:  FIX
   SOLVENT B:  FIX

   Protocol cycle #2 of 3
   Refinement protocol for this macrocycle:
   BIN SCALES: REFINE
   ANISOTROPY: REFINE
   SOLVENT K:  FIX
   SOLVENT B:  FIX

   Protocol cycle #3 of 3
   Refinement protocol for this macrocycle:
   BIN SCALES: REFINE
   ANISOTROPY: REFINE
   SOLVENT K:  FIX
   SOLVENT B:  FIX

   Outlier Rejection
   -----------------
   No reflections are outliers

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 4 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
      -27082.176            -27056.084                26.092

   Principal components of anisotropic part of B affecting observed amplitudes:
     eigenB (A^2)     direction cosines (orthogonal coordinates)
         7.693              0.0000   1.0000   0.0000
        -0.538              0.0621   0.0000   0.9981
        -7.155              0.9981   0.0000  -0.0621
   Anisotropic deltaB (i.e. range of principal components):  14.848

   Outlier Rejection
   -----------------
   No reflections are outliers

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 1 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
      -27056.084            -27056.084                 0.000

   Principal components of anisotropic part of B affecting observed amplitudes:
     eigenB (A^2)     direction cosines (orthogonal coordinates)
         7.693              0.0000   1.0000   0.0000
        -0.538              0.0621   0.0000   0.9981
        -7.155              0.9981   0.0000  -0.0621
   Anisotropic deltaB (i.e. range of principal components):  14.848

   Outlier Rejection
   -----------------
   No reflections are outliers

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 1 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
      -27056.084            -27056.084                 0.000

   Principal components of anisotropic part of B affecting observed amplitudes:
     eigenB (A^2)     direction cosines (orthogonal coordinates)
         7.693              0.0000   1.0000   0.0000
        -0.538              0.0621   0.0000   0.9981
        -7.155              0.9981   0.0000  -0.0621
   Anisotropic deltaB (i.e. range of principal components):  14.848

   Outlier Rejection
   -----------------
   No reflections are outliers

   Refined Anisotropy Parameters
   -----------------------------
   Principal components of anisotropic part of B affecting observed amplitudes:
     eigenB (A^2)     direction cosines (orthogonal coordinates)
         7.693              0.0000   1.0000   0.0000
        -0.538              0.0621   0.0000   0.9981
        -7.155              0.9981   0.0000  -0.0621
   Anisotropic deltaB (i.e. range of principal components):  14.848

--------------
ABSOLUTE SCALE
--------------

   Scale factor to put input Fs on absolute scale
   Wilson Scale:    1.86854
   Wilson B-factor: 34.8175

--------------------------------
DATA AFTER ANISOTROPY CORRECTION
--------------------------------

   Resolution of All Data (Number):        2.92  48.49 (2447)
   Resolution of Selected Data (Number):   2.92  48.49 (2447)

   Outlier Rejection
   -----------------
   No reflections are outliers

------------
OUTPUT FILES
------------

   No files output

CPU Time: 0 days 0 hrs 0 mins 0.11 secs (      0.11 secs)
Finished: Thu Sep 30 04:32:21 2021

******************************************************************************************
*** Phaser Module: TRANSLATIONAL NON-CRYSTALLOGRAPHIC SYMMETRY                   2.8.3 ***
******************************************************************************************

   Unit Cell:   92.34   23.83   63.53   90.00  130.24   90.00

---------------------
MAXIMUM NMOL ANALYSIS
---------------------

   Stoichiometry of search components:
      "helix_pdb"

   Molecular weight of components:  1807.94
   Volume of asymmetric unit:       26673.3
   Packing to solvent content:      20%
   Maximum automatic NMOL number:   9

-------------------------------------
DATA FOR TRANSLATIONAL NCS CORRECTION
-------------------------------------

   Resolution of All Data (Number):        2.92  48.49 (2447)
   Resolution of Selected Data (Number):   2.92  48.49 (2447)

   Outlier Rejection
   -----------------
   No reflections are outliers

   Weighted Intensity Moments for Data
   -----------------------------------
   Inverse variance-weighted 2nd Moment = /^2 == /^2
                        Untwinned   Perfect Twin
   2nd Moment  Centric:    3.0          2.0
   2nd Moment Acentric:    2.0          1.5
                               Measured
   2nd Moment  Centric:             4.01
   2nd Moment Acentric:             2.55

   Resolution for Twin Analysis (85% I/SIGI > 3):  3.57A (HiRes= 2.92A)

---------------------
ANISOTROPY CORRECTION
---------------------

   Weighted Intensity Moments after Anisotropy Correction
   ------------------------------------------------------
   Inverse variance-weighted 2nd Moment = /^2 == /^2
                        Untwinned   Perfect Twin
   2nd Moment  Centric:    3.0          2.0
   2nd Moment Acentric:    2.0          1.5
                               Measured
   2nd Moment  Centric:             3.52
   2nd Moment Acentric:             2.54

   Resolution for Twin Analysis (85% I/SIGI > 3):  3.57A (HiRes= 2.92A)

-----------------
TRANSLATIONAL NCS
-----------------

   tNCS vector not set
   Space Group (without translational symmetry):C 1 2 1
   Patterson Symmetry: C 1 2/m 1
   Resolution of All Data (Number):        2.92  48.49 (2447)
   Resolution of Patterson (Number):       5.00   9.98 (443)

   Raw Patterson Peaks Table
   -------------------------
   Sorted by Height
   Height Vector
   100.0%:   FRAC -0.0000 -0.0000 -0.0000   (ORTH   -0.0    0.0   -0.0)

   Patterson Top (All) = 19.77%
      There were 49 peaks

   Patterson Top (Non-origin) = 11.21%
      Patterson Origin Vector Distance = 15
      There were 39 non-origin peaks

   Patterson Top (Cutoff) = 0.00%
      Patterson cutoff = 20%
      There were 0 non-origin peaks over cutoff

   Patterson Top (Large Cell) = 0.00%
      Unit Cell dimension was not smaller than origin Patterson vector distance
      There were 0 non-origin and large cell peaks over cutoff

   Patterson Top (Analysis) = 0.00%
      Peaks within minimum Patterson vector distance of one another were deleted
      There were 0 widely separated non-origin peaks over cutoff

   There were no interesting non-origin Patterson peaks

   No tNCS found in Patterson

--------
TWINNING
--------

   tNCS/Twin Detection Table
   -------------------------
                                 -Second Moments-             --P-values--
                                 Centric Acentric       untwinned  twin frac < 5%
   Theoretical for untwinned      3.00    2.00    
     including measurement error  3.00    2.00    
   Theoretical for perfect twin   2.00    1.50    
   Initial (data as input)        4.01    2.55+/-0.135  1          1         
   After Anisotropy Correction    3.52    2.54+/-0.135  1          1         
   After Anisotropy and tNCS         ---n/a---

   P-value < 0.01 for < 5% twinned is considered worth investigating
   Resolution for Twin Analysis (85% I/SIGI > 3):  3.57A (HiRes= 2.92A)

---------------------------------------
DATA AFTER TRANSLATIONAL NCS CORRECTION
---------------------------------------

   Resolution of All Data (Number):        2.92  48.49 (2447)
   Resolution of Selected Data (Number):   2.92  48.49 (2447)

   Outlier Rejection
   -----------------
   No reflections are outliers

------------
OUTPUT FILES
------------

   No files output

CPU Time: 0 days 0 hrs 0 mins 0.14 secs (      0.14 secs)
Finished: Thu Sep 30 04:32:21 2021

******************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                               2.8.3 ***
******************************************************************************************

** Z-score test for definite solution is ON
** Z-score test for stopping search is OFF
** Deep search is ON

CPU Time: 0 days 0 hrs 0 mins 0.14 secs (      0.14 secs)
Finished: Thu Sep 30 04:32:21 2021

******************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                               2.8.3 ***
******************************************************************************************

   Composition Table
   -----------------
   Total Scattering = 39821
   Search occupancy factor = 1 (default)
   Ensemble                       Frac.Scat. (Search Frac.Scat.) 
   helix_ala                           7.77%               7.77%
   helix_pdb                          14.13%              14.13%

** Composition not increased

CPU Time: 0 days 0 hrs 0 mins 0.14 secs (      0.14 secs)
Finished: Thu Sep 30 04:32:21 2021

******************************************************************************************
*** Phaser Module: EXPERIMENTAL ERROR CORRECTION PREPARATION                     2.8.3 ***
******************************************************************************************

-----------------
TRANSLATIONAL NCS
-----------------

   tNCS not present

-----------------------------
EXPERIMENTAL ERROR CORRECTION
-----------------------------

   Calculate Luzzati D factors accounting for observational error...

   Data have been provided as French-Wilson amplitudes

------------
OUTPUT FILES
------------

   No files output

CPU Time: 0 days 0 hrs 0 mins 0.16 secs (      0.16 secs)
Finished: Thu Sep 30 04:32:21 2021

******************************************************************************************
*** Phaser Module: EXPECTED LLG OF ENSEMBLES                                     2.8.3 ***
******************************************************************************************

-----------------
TRANSLATIONAL NCS
-----------------

   tNCS not present

   Resolution of Data (Selected):    2.917 (2.91671)
   Number of Reflections (Selected): 2447 (2447)
   eLLG Target: 225

----------
ENSEMBLING
----------

   Ensemble: helix_ala
   -------------------
   Coordinates from string # 1 helix
      This file contains 1 model
      The input RmsD of model #1 with respect to the real structure is 1.000

   Ensemble: helix_pdb
   -------------------
   PDB file # 1: helix.pdb
      This file contains 1 model
      The input RmsD of model #1 with respect to the real structure is 0.500

   Guide to eLLG values
   ---------------------
   eLLG      Top solution correct?
   <25       -no 
   25-36     -unlikely
   36-49     -possibly
   49-64     -probably
   >64       -yes

-----------------
POLY-ALANINE ELLG
-----------------

   Resolution = 2.91671
   Default RMSD = 0.1 0.2 0.4 0.8 1.6 3.2
   Minimum solvent = 20%
      Maximum number of polyalanine residues = 140 (-full-)
   Alanine residues for eLLG target = 79

   Table of Alanine Residues for eLLG Target
   -----------------------------------------
                  ---RMSD--- 
   eLLG-target |  0.10  0.20  0.40  0.80  1.60  3.20 
           225 |    79    81    91   137 -full--full-
           196 |    74    76    85   128 -full--full-
           169 |    69    71    79   119 -full--full-
           144 |    63    65    73   110 -full--full-
           121 |    58    60    67   100 -full--full-
           100 |    53    54    61    91 -full--full-
            81 |    47    49    54    82 -full--full-
            64 |    42    43    48    73 -full--full-
            49 |    37    38    42    64 -full--full-
            36 |    31    32    36    55 -full--full-
            25 |    26    27    30    45   136 -full-
            16 |    21    21    24    36   108 -full-
             9 |    15    16    18    27    81 -full-
             4 |    10    10    12    18    54 -full-
             1 |     5     5     6     9    27 -full-

--------------
MONOMERIC ELLG
--------------

   Expected LLG (eLLG)
   -------------------
   eLLG: eLLG of ensemble alone
       eLLG   RMSD frac-scat  Ensemble
       14.1  0.500   0.14128  helix_pdb

   Resolution for eLLG target
   --------------------------
   eLLG-reso: Resolution to achieve target eLLG (225)
     eLLG-reso  Ensemble
   > 2.92(all)  helix_pdb

   Resolution for eLLG target: data collection
   -------------------------------------------
   eLLG-reso: Resolution to achieve target eLLG (225) with perfect data
     eLLG-reso  Ensemble
        >1.2A   helix_pdb

------------------------------------------------------------------------------------------
Advisory: 
eLLG indicates that placement of a single copy of ensemble "helix_pdb" will be very
difficult
------------------------------------------------------------------------------------------

   Expected LLG (eLLG): Chains
   ---------------------------
   eLLG: eLLG of chain alone
       eLLG   RMSD frac-scat chain  Ensemble
       14.1  0.500   0.14128  " A"  helix_pdb

   Resolution for eLLG target: Chains
   ----------------------------------
   eLLG-reso: Resolution to achieve target eLLG (225)
     eLLG-reso chain  Ensemble
   > 2.92(all)  " A"  helix_pdb

--------------------
HOMO-OLIGOMERIC ELLG
--------------------

   Number of copies for eLLG target
   --------------------------------
   eLLG-target   RMSD frac-scat-known frac-scat   num-copies  Ensemble
           225  0.500         0.42383   0.56511            4  helix_pdb

CPU Time: 0 days 0 hrs 0 mins 0.19 secs (      0.19 secs)
Finished: Thu Sep 30 04:32:21 2021

******************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                               2.8.3 ***
******************************************************************************************

** Search Order (next search *) (placed +):
**    #1   helix_pdb *
**    #2   helix_pdb  
**    #3   helix_pdb  
**    #4   helix_pdb  

CPU Time: 0 days 0 hrs 0 mins 0.20 secs (      0.20 secs)
Finished: Thu Sep 30 04:32:21 2021

******************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT ROTATION FUNCTION                       2.8.3 ***
******************************************************************************************

-----------------
TRANSLATIONAL NCS
-----------------

   tNCS not present

--------------------------
DATA FOR ROTATION FUNCTION
--------------------------

   High resolution limit unaltered by RMS of ensemble
   High resolution limit unaltered by expected LLG

   Outlier Rejection
   -----------------
   No reflections are outliers

   Resolution of All Data (Number):        2.92  48.49 (2447)
   Resolution of Selected Data (Number):   2.92  48.49 (2447)

-------------------
WILSON DISTRIBUTION
-------------------

   Parameters set for Wilson log-likelihood calculation
   E = 0 and variance 1 for each reflection
   Without correction for SigF to the variances,
      Wilson log(likelihood) = - number of acentrics (2035)
                               - half number of centrics (412/2)
                             = -2241
   With correction for SigF,
      Wilson log(likelihood) = -2234.31

----------
ENSEMBLING
----------

   Ensemble Generation: helix_pdb
   ------------------------------
   Ensemble configured for structure factor interpolation
   Ensemble configured to resolution  2.92

   Electron Density Calculation
   0%      100%
   |=======| DONE

   Ensemble Generation
   -------------------
   Resolution of Ensembles: 2.91671
   Scat% Radius Model# Rel-B    RMS   DRMS   VRMS Ensemble                           
    14.1    9.2      1  21.1  0.500  0.000  0.500 helix_pdb                          

-----------------
ROTATION FUNCTION
-----------------

   Ensemble configured to resolution  2.92
   Elmn for Search Ensemble
   Spreading calculation onto 23 threads.
   Elmn Calculation for Search Ensemble
   0%                   100%
   |=====================| DONE

   Target Function: FAST LERF1

-------------------------
ROTATION FUNCTION #1 OF 1
-------------------------

   Search Ensemble: helix_pdb

   Sampling:  9.05 degrees


   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 23 threads.
   Elmn Calculation for Data
   0%                       100%
   |=========================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 23 threads.
   Clmn Calculation
   0% 100%
   |==| DONE

   Helix for model: cluster angle reduced
   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 52.5% of top
   There were 668 sites over 52.5% of top
   668 peaks selected
   The sites over 52.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      150.3   21.6  163.0    100.000  4.42
   2       47.1   40.8  168.3     99.027  4.37
   3       39.0   41.2  167.1     98.968  4.37
   #Sites = 668: output truncated to 3 sites

   Top 668 rotations before clustering will be rescored
   Spreading calculation onto 23 threads
   Calculating Likelihood for RF #1 of 1
   0%                             100%
   |===============================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 23 threads
   Generating Statistics for RF #1 of 1
   0%                     100%
   |=======================| DONE

   Highest Score (Z-score):  43.411   ( 4.73)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 396 sites over 60% of top
   The sites over 60% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       35.7   33.6  180.1     43.411  4.73   0.0      1     93.576/    93.576
          144.3  146.4    0.1
   2      132.6   24.8  184.1     42.714  4.67 100.7      1     92.450/    92.450
           47.4  155.2    4.1
   3      263.5   21.1  136.3     42.276  4.63 171.9      1     88.965/    88.965
          276.5  158.9  316.3
   #SITES = 396: OUTPUT TRUNCATED TO 3 SITES

   Rotation Function Results
   Top1: ENSEMBLE helix_pdb EULER 35.719 33.639 180.082 RF=43.4 RFZ=4.73

   Rotation Function Table: helix_pdb
   ----------------------------------
   (Z-scores from Fast Rotation Function)
   #SET        Top    (Z)      Second    (Z)       Third    (Z)
   1         43.41   4.73       42.71   4.67       42.28   4.63

---------------
FINAL SELECTION
---------------

   Select by Percentage of Top value: 75%
   Top RF = 43.411
   Purge RF mean = -9.934
   Number of sets stored before final selection = 1
   Number of solutions stored before final selection = 396
   Number of sets stored (deleted) after final selection = 1 (0)
   Number of solutions stored (deleted) after final selection = 396 (0)
   Percent used for purge = 60.000%
      Includes deep search down percent = 15%
      Number of solutions stored above (below) deep threshold = 175 (221)

   Rotation Function Final Selection Table
   ---------------------------------------
   Rotation list length by SET
   SET#  Start Final Deleted Set (*)   Deep: Start Final Deleted Set (*)
      1  175   175         -                 396   396         -
   ALL   175   175                           396   396  

------------
OUTPUT FILES
------------

   No files output

CPU Time: 0 days 0 hrs 0 mins 8.02 secs (      8.02 secs)
Finished: Thu Sep 30 04:32:22 2021

******************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT TRANSLATION FUNCTION                    2.8.3 ***
******************************************************************************************

-----------------
TRANSLATIONAL NCS
-----------------

   tNCS not present

-----------------------------
DATA FOR TRANSLATION FUNCTION
-----------------------------

   Outlier Rejection
   -----------------
   No reflections are outliers

   Resolution of All Data (Number):        2.92  48.49 (2447)
   Resolution of Selected Data (Number):   2.92  48.49 (2447)

-------------------
WILSON DISTRIBUTION
-------------------

   Parameters set for Wilson log-likelihood calculation
   E = 0 and variance 1 for each reflection
   Without correction for SigF to the variances,
      Wilson log(likelihood) = - number of acentrics (2035)
                               - half number of centrics (412/2)
                             = -2241
   With correction for SigF,
      Wilson log(likelihood) = -2234.31

------------------------
ALTERNATIVE SPACE GROUPS
------------------------

   Space Group(s) to be tested:
     C 1 2 1

----------
ENSEMBLING
----------

   Ensemble Generation
   -------------------
   Resolution of Ensembles: 2.91671
   Scat% Radius Model# Rel-B    RMS   DRMS   VRMS Ensemble                           
    14.1    9.2      1  21.1  0.500  0.000  0.500 helix_pdb                          

   Trace Generation: helix_pdb
   ---------------------------
      This trace is from coordinates

   Trace Generation
   ----------------
   Ensemble        Trace-type  Length      Sampling Close-contact
   helix_pdb       all-atom       130          1.50          1.00

---------------------
TRANSLATION FUNCTIONS
---------------------

   Target Function: FAST LETF1
   Translation Packing Function applied: top peak will pack
   Translation Packing Cutoff: 50%
   Sampling:  0.73 Angstroms

----------------------------
TRANSLATION FUNCTION #1 OF 1
----------------------------

   SOLU SET 
   SOLU SPAC C 1 2 1
   SOLU TRIAL ENSEMBLE helix_pdb EULER   35.719   33.639  180.082 RF   43.4 RFZ  4.73

   SOLU TRIAL ENSEMBLE helix_pdb EULER  132.641   24.827  184.107 RF   42.7 RFZ  4.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  263.507   21.063  136.319 RF   42.3 RFZ  4.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  272.164   32.060  134.563 RF   42.0 RFZ  4.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.749   32.036  139.851 RF   41.8 RFZ  4.59

   SOLU TRIAL ENSEMBLE helix_pdb EULER  118.948   30.667  179.407 RF   41.5 RFZ  4.56

   SOLU TRIAL ENSEMBLE helix_pdb EULER  245.858   28.828  133.291 RF   41.5 RFZ  4.56

   SOLU TRIAL ENSEMBLE helix_pdb EULER  310.755   41.514  152.542 RF   41.4 RFZ  4.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.746   38.279  140.515 RF   40.5 RFZ  4.47

   SOLU TRIAL ENSEMBLE helix_pdb EULER  319.263   43.985  153.033 RF   40.5 RFZ  4.47

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.190   40.042  170.819 RF   39.8 RFZ  4.41

   SOLU TRIAL ENSEMBLE helix_pdb EULER  307.829   37.553  145.582 RF   39.7 RFZ  4.40

   SOLU TRIAL ENSEMBLE helix_pdb EULER   13.623   39.029  148.104 RF   39.7 RFZ  4.40

   SOLU TRIAL ENSEMBLE helix_pdb EULER    4.287   40.941  145.691 RF   39.5 RFZ  4.38

   SOLU TRIAL ENSEMBLE helix_pdb EULER  334.838   42.063  156.504 RF   39.4 RFZ  4.38

   SOLU TRIAL ENSEMBLE helix_pdb EULER  299.649   36.975  144.511 RF   39.3 RFZ  4.37

   SOLU TRIAL ENSEMBLE helix_pdb EULER  142.974   23.822  183.037 RF   39.1 RFZ  4.35

   SOLU TRIAL ENSEMBLE helix_pdb EULER  314.478   36.594  138.184 RF   38.7 RFZ  4.31

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.284   29.802  138.921 RF   38.7 RFZ  4.31

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.019   19.301  140.059 RF   38.7 RFZ  4.31

   SOLU TRIAL ENSEMBLE helix_pdb EULER    8.481   39.091  169.421 RF   38.6 RFZ  4.30

   SOLU TRIAL ENSEMBLE helix_pdb EULER   18.278   35.284  178.634 RF   38.5 RFZ  4.29

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.146   21.334  158.019 RF   38.5 RFZ  4.29

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.053   40.839  168.333 RF   38.2 RFZ  4.26

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.705   21.496  174.199 RF   37.7 RFZ  4.23

   SOLU TRIAL ENSEMBLE helix_pdb EULER  137.402   28.896  179.278 RF   37.6 RFZ  4.21

   SOLU TRIAL ENSEMBLE helix_pdb EULER   36.907   40.964  157.906 RF   37.5 RFZ  4.21

   SOLU TRIAL ENSEMBLE helix_pdb EULER   91.095   26.623  178.792 RF   37.5 RFZ  4.21

   SOLU TRIAL ENSEMBLE helix_pdb EULER  236.330   27.734  133.484 RF   37.4 RFZ  4.20

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.275   24.509  144.981 RF   37.4 RFZ  4.20

   SOLU TRIAL ENSEMBLE helix_pdb EULER  182.089   20.902  172.180 RF   37.3 RFZ  4.19

   SOLU TRIAL ENSEMBLE helix_pdb EULER  234.049   22.834  148.435 RF   37.0 RFZ  4.16

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.886   37.648  169.781 RF   37.0 RFZ  4.16

   SOLU TRIAL ENSEMBLE helix_pdb EULER  262.077   29.241  136.269 RF   36.8 RFZ  4.14

   SOLU TRIAL ENSEMBLE helix_pdb EULER  354.368   39.739  167.493 RF   36.8 RFZ  4.14

   SOLU TRIAL ENSEMBLE helix_pdb EULER  104.510   28.102  184.919 RF   36.7 RFZ  4.14

   SOLU TRIAL ENSEMBLE helix_pdb EULER   38.988   41.208  167.085 RF   36.6 RFZ  4.13

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.646   24.651  136.011 RF   36.6 RFZ  4.13

   SOLU TRIAL ENSEMBLE helix_pdb EULER  338.057   44.857  164.269 RF   36.6 RFZ  4.12

   SOLU TRIAL ENSEMBLE helix_pdb EULER  306.433   35.716  136.967 RF   36.4 RFZ  4.11

   SOLU TRIAL ENSEMBLE helix_pdb EULER   54.028   42.521  171.211 RF   36.3 RFZ  4.10

   SOLU TRIAL ENSEMBLE helix_pdb EULER  289.372   33.970  135.660 RF   36.2 RFZ  4.09

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.363   25.720  136.983 RF   36.1 RFZ  4.08

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.242   27.811  147.025 RF   36.0 RFZ  4.08

   SOLU TRIAL ENSEMBLE helix_pdb EULER   76.772   24.334  174.071 RF   35.9 RFZ  4.07

   SOLU TRIAL ENSEMBLE helix_pdb EULER  268.973   28.226  139.176 RF   35.9 RFZ  4.07

   SOLU TRIAL ENSEMBLE helix_pdb EULER   21.642   36.352  153.484 RF   35.9 RFZ  4.06

   SOLU TRIAL ENSEMBLE helix_pdb EULER  325.907   37.435  156.554 RF   35.9 RFZ  4.06

   SOLU TRIAL ENSEMBLE helix_pdb EULER   43.722   35.008  181.795 RF   35.8 RFZ  4.05

   SOLU TRIAL ENSEMBLE helix_pdb EULER  250.832   22.213  149.945 RF   35.7 RFZ  4.05

   SOLU TRIAL ENSEMBLE helix_pdb EULER  301.823   39.034  152.603 RF   35.7 RFZ  4.04

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   35.5 RFZ  4.03

   SOLU TRIAL ENSEMBLE helix_pdb EULER   75.543   34.372  177.065 RF   35.5 RFZ  4.02

   SOLU TRIAL ENSEMBLE helix_pdb EULER  190.390   22.865  140.172 RF   35.3 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_pdb EULER  150.253   21.643  162.967 RF   35.3 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.610   38.398  177.533 RF   35.3 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_pdb EULER  118.421   22.627  168.115 RF   35.3 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_pdb EULER   18.159   41.784  147.938 RF   35.3 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.176   37.213  170.720 RF   35.2 RFZ  4.00

   SOLU TRIAL ENSEMBLE helix_pdb EULER  187.525   17.786  142.755 RF   35.2 RFZ  4.00

   SOLU TRIAL ENSEMBLE helix_pdb EULER  216.502   28.412  146.594 RF   35.2 RFZ  4.00

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   34.9 RFZ  3.97

   SOLU TRIAL ENSEMBLE helix_pdb EULER   97.481   23.397  171.231 RF   34.9 RFZ  3.97

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   34.8 RFZ  3.97

   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   34.7 RFZ  3.96

   SOLU TRIAL ENSEMBLE helix_pdb EULER  110.476   25.172  177.354 RF   34.7 RFZ  3.96

   SOLU TRIAL ENSEMBLE helix_pdb EULER    7.035   35.908  152.205 RF   34.7 RFZ  3.96

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   34.7 RFZ  3.95

   SOLU TRIAL ENSEMBLE helix_pdb EULER  355.239   42.563  144.475 RF   34.5 RFZ  3.94

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.550   36.699  171.553 RF   34.5 RFZ  3.94

   SOLU TRIAL ENSEMBLE helix_pdb EULER  200.327   18.447  139.629 RF   34.4 RFZ  3.93

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   34.4 RFZ  3.93

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   34.3 RFZ  3.92

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.201   37.089  156.639 RF   34.3 RFZ  3.92

   SOLU TRIAL ENSEMBLE helix_pdb EULER  223.509   22.470  150.081 RF   34.3 RFZ  3.92

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.048   25.491  167.764 RF   34.2 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.380   41.457  174.207 RF   34.2 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   34.1 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER  171.684   16.855  170.822 RF   34.1 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER  342.580   37.567  158.308 RF   34.1 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER   67.196   35.100  176.231 RF   34.1 RFZ  3.90

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   34.0 RFZ  3.89

   SOLU TRIAL ENSEMBLE helix_pdb EULER  158.230   17.581  174.638 RF   33.9 RFZ  3.89

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   33.9 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER  349.048   39.802  150.843 RF   33.9 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER  284.136   25.681  143.005 RF   33.8 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER   78.074   27.449  152.716 RF   33.8 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.831   44.441  159.168 RF   33.8 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.257   30.048  168.017 RF   33.8 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   33.7 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.095   16.234  158.489 RF   33.7 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   33.6 RFZ  3.86

   SOLU TRIAL ENSEMBLE helix_pdb EULER  338.810   41.231  141.580 RF   33.6 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   33.5 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_pdb EULER   49.297   26.781  154.576 RF   33.5 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.230   37.252  135.850 RF   33.5 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_pdb EULER  110.714   28.500  188.868 RF   33.5 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.102   28.670  161.029 RF   33.4 RFZ  3.84

   SOLU TRIAL ENSEMBLE helix_pdb EULER  124.161   23.210  171.923 RF   33.4 RFZ  3.84

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.443   33.020  183.482 RF   33.4 RFZ  3.84

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.874   43.759  151.347 RF   33.3 RFZ  3.83

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   33.3 RFZ  3.83

   SOLU TRIAL ENSEMBLE helix_pdb EULER   50.753   44.918  163.751 RF   33.3 RFZ  3.83

   SOLU TRIAL ENSEMBLE helix_pdb EULER  201.891   28.362  141.555 RF   33.2 RFZ  3.83

   SOLU TRIAL ENSEMBLE helix_pdb EULER  293.608   38.759  151.547 RF   33.1 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER   67.116   25.032  174.740 RF   33.1 RFZ  3.81

   SOLU TRIAL ENSEMBLE helix_pdb EULER  139.502   30.142  154.811 RF   33.0 RFZ  3.81

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   33.0 RFZ  3.81

   SOLU TRIAL ENSEMBLE helix_pdb EULER  253.287   30.342  146.391 RF   33.0 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  161.110   21.575  160.991 RF   33.0 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   32.9 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   32.9 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.895   37.760  175.243 RF   32.9 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  218.043   20.890  130.003 RF   32.9 RFZ  3.79

   SOLU TRIAL ENSEMBLE helix_pdb EULER  340.034   32.178  141.239 RF   32.8 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   32.7 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER   26.516   33.683  170.150 RF   32.7 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.791   32.132  146.853 RF   32.7 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  353.579   30.665  168.047 RF   32.6 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   32.6 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.390   26.272  160.820 RF   32.5 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.791   30.761  150.363 RF   32.5 RFZ  3.76

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   32.4 RFZ  3.75

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   32.3 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.306   29.978  154.977 RF   32.3 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   32.0 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER  327.436   46.372  154.002 RF   32.0 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER  357.916   33.625  142.165 RF   32.0 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   31.9 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER   46.892   28.603  167.417 RF   31.8 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   31.8 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   31.8 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_pdb EULER  177.081   30.634  164.104 RF   31.7 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   31.7 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   31.6 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER   18.429   45.087  157.304 RF   31.6 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER    7.575   37.533  160.953 RF   31.6 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  198.769   25.167  166.840 RF   31.5 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  166.265   21.735  165.544 RF   31.5 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.581   30.297  164.048 RF   31.5 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   31.5 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  336.110   35.890  166.557 RF   31.5 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  146.950   17.142  166.308 RF   31.4 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.739   31.985  184.348 RF   31.4 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.341   38.390  150.559 RF   31.4 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.474   32.698  151.429 RF   31.4 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   31.4 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.036   32.648  147.192 RF   31.3 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   31.1 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  189.240   22.051  150.334 RF   31.1 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  253.473   26.057  125.285 RF   31.1 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.110   30.878  154.447 RF   31.0 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.762   31.367  167.872 RF   31.0 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  228.391   26.699  154.562 RF   31.0 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   31.0 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   31.0 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   30.9 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.256   34.524  149.387 RF   30.9 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.974   29.645  155.250 RF   30.9 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   30.8 RFZ  3.61

   SOLU TRIAL ENSEMBLE helix_pdb EULER  218.547   18.161  145.862 RF   30.8 RFZ  3.61

   SOLU TRIAL ENSEMBLE helix_pdb EULER  303.734   26.969  141.347 RF   30.7 RFZ  3.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.864   26.397  175.935 RF   30.6 RFZ  3.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER  320.955   40.762  162.779 RF   30.6 RFZ  3.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.962   41.460  165.780 RF   30.6 RFZ  3.59

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   30.6 RFZ  3.59

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.768   30.768  159.195 RF   30.5 RFZ  3.59

   SOLU TRIAL ENSEMBLE helix_pdb EULER  278.380   39.979  147.563 RF   30.4 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_pdb EULER   24.159   35.208  146.586 RF   30.4 RFZ  3.57

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   30.3 RFZ  3.57

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.828   31.579  154.758 RF   30.2 RFZ  3.56

   SOLU TRIAL ENSEMBLE helix_pdb EULER  358.877   42.099  160.512 RF   30.2 RFZ  3.56

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.453   30.103  184.838 RF   30.2 RFZ  3.56

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.928   35.326  159.192 RF   30.1 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.296   30.768  159.195 RF   30.1 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.844   29.075  162.258 RF   30.1 RFZ  3.55 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.785   35.143  156.723 RF   30.0 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   30.0 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  233.342   30.768  159.195 RF   30.0 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   30.0 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   29.9 RFZ  3.53 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.220   27.248  131.429 RF   29.8 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.946   24.365  161.788 RF   29.8 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  131.617   36.655  164.234 RF   29.8 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   29.8 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.743   34.377  143.791 RF   29.8 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.032   30.768  159.195 RF   29.8 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   29.7 RFZ  3.51 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  106.282   35.681  173.279 RF   29.6 RFZ  3.50 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   29.5 RFZ  3.50 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   15.917   37.423  161.819 RF   29.5 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.561   28.504  159.572 RF   29.4 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   29.4 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.097   37.037  173.718 RF   29.3 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  343.011   46.635  157.436 RF   29.3 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.722   30.768  159.195 RF   29.3 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   29.3 RFZ  3.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  313.485   26.129  131.075 RF   29.2 RFZ  3.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.047   28.565  158.082 RF   29.2 RFZ  3.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.664   30.768  159.195 RF   29.2 RFZ  3.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   29.1 RFZ  3.46 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.392   32.726  161.404 RF   29.1 RFZ  3.46 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    4.833   44.857  154.555 RF   29.0 RFZ  3.45 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.863   27.322  179.360 RF   28.9 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.109   33.304  152.137 RF   28.9 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  359.706   33.033  159.523 RF   28.9 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   28.8 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.762   16.527  177.375 RF   28.8 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   22.995   33.287  142.760 RF   28.8 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   28.7 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  233.459   23.584  125.904 RF   28.7 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   28.7 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  126.009   21.007  190.753 RF   28.7 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.808   30.784  187.542 RF   28.6 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  274.252   35.922  130.731 RF   28.6 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   28.6 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   28.6 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  172.249   26.031  175.375 RF   28.5 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  181.693   26.185  158.293 RF   28.5 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   59.341   34.557  163.960 RF   28.5 RFZ  3.40 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  137.842   32.059  167.509 RF   28.5 RFZ  3.40 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.720   17.573  148.852 RF   28.5 RFZ  3.40 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   29.925   26.470  156.022 RF   28.4 RFZ  3.40 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.618   30.768  159.195 RF   28.3 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  100.104   34.745  169.496 RF   28.3 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   28.3 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.730   37.513  173.361 RF   28.1 RFZ  3.37 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   28.0 RFZ  3.36 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  278.572   30.768  159.195 RF   27.8 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  245.347   32.164  155.672 RF   27.8 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.808   32.877  160.804 RF   27.7 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.823   21.941  184.278 RF   27.7 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   25.075   35.127  161.652 RF   27.7 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   27.7 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   75.138   27.668  166.219 RF   27.6 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  312.823   27.721  141.301 RF   27.6 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   57.215   23.048  184.882 RF   27.6 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   27.6 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.355   26.193  160.767 RF   27.6 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   27.6 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.699   38.142  132.918 RF   27.5 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  261.961   38.896  145.291 RF   27.5 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.110   12.358  151.504 RF   27.4 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  345.892   39.456  134.657 RF   27.4 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  354.850   48.818  167.215 RF   27.3 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.900   42.505  150.379 RF   27.3 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.150   30.735  150.055 RF   27.3 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.543   27.342  165.815 RF   27.2 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.626   43.566  148.058 RF   27.2 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.062   29.180  141.228 RF   27.1 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  112.575   36.352  177.116 RF   27.1 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  253.770   38.412  144.024 RF   27.1 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.169   32.279  155.943 RF   27.1 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    6.601   44.316  162.239 RF   27.0 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.480   30.768  159.195 RF   26.9 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    7.988   32.116  142.052 RF   26.9 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   26.9 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  184.225   22.477  136.978 RF   26.8 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    0.508   32.395  174.493 RF   26.8 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   26.8 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   26.8 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  132.877   26.423  162.328 RF   26.8 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   26.8 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  253.329   16.322  128.405 RF   26.7 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.241   22.761  147.523 RF   26.7 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  161.588   31.354  172.956 RF   26.7 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   26.7 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  258.640   35.499  150.202 RF   26.6 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   26.6 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   26.6 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.203   35.142  161.594 RF   26.6 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  271.409   41.333  144.353 RF   26.6 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.485   36.119  146.020 RF   26.6 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  234.885   35.560  145.227 RF   26.5 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    8.133   48.136  170.494 RF   26.5 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   26.5 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.583   29.426  173.150 RF   26.5 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.892   33.430  171.221 RF   26.4 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   26.4 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  112.940   20.739  184.014 RF   26.4 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  117.331   33.855  170.580 RF   26.3 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  268.812   37.670  148.534 RF   26.2 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.577   20.678  156.967 RF   26.2 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  117.584   30.768  159.195 RF   26.2 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.703   31.517  191.458 RF   26.2 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.894   21.081  121.983 RF   26.1 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.835   22.554  121.990 RF   26.1 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.279   27.013  139.028 RF   26.0 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   26.0 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  356.261   44.091  175.132 RF   26.0 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   49.289   33.293  141.902 RF   26.0 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.649   35.266  161.001 RF   25.9 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  257.473   21.040  152.583 RF   25.9 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  102.303   38.569  179.056 RF   25.9 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  171.916   26.205  159.116 RF   25.9 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   18.341   30.410  143.145 RF   25.9 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   24.571   42.548  173.301 RF   25.8 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.664   28.496  175.086 RF   25.8 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.492   30.768  159.195 RF   25.7 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  282.976   18.262  125.802 RF   25.7 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  171.627   26.120  140.191 RF   25.7 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  338.494   31.758  176.517 RF   25.6 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  321.573   36.216  130.604 RF   25.6 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   22.381   43.947  165.284 RF   25.5 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  100.159   31.252  191.179 RF   25.4 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.345   27.956  138.826 RF   25.4 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.400   30.768  159.195 RF   25.4 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  295.017   28.561  150.814 RF   25.4 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.339   33.043  166.696 RF   25.3 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   25.3 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  294.878   21.765  122.370 RF   25.3 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  256.782   13.743  134.615 RF   25.3 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   25.2 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.460   21.314  150.409 RF   25.1 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  354.014   46.558  172.421 RF   25.1 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.906   33.123  175.649 RF   25.0 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   25.0 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.097   26.276  176.788 RF   25.0 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  329.976   34.717  175.198 RF   24.9 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  147.239   28.399  136.646 RF   24.9 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.260   29.319  177.032 RF   24.9 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.674   29.315  136.354 RF   24.9 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   24.9 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.309   12.248  146.366 RF   24.9 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   24.9 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   90.446   30.768  159.195 RF   24.8 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  275.612   36.189  151.620 RF   24.8 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  132.112   33.786  175.113 RF   24.7 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  323.258   49.548  159.401 RF   24.7 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.671   17.584  125.897 RF   24.5 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.186   28.930  150.674 RF   24.5 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  100.219   21.636  148.565 RF   24.5 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.090   40.928  150.040 RF   24.4 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.732   40.369  165.315 RF   24.4 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.853   17.042  135.121 RF   24.3 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   24.3 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  193.813   33.025  138.297 RF   24.3 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  175.253   30.462  175.179 RF   24.3 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   24.2 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  265.244   34.120  153.403 RF   24.2 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.647   47.824  151.290 RF   24.1 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.583   40.879  160.397 RF   24.1 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.323   24.669  141.232 RF   24.0 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.475   47.488  147.891 RF   24.0 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.771   36.460  172.722 RF   23.9 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.674   25.422  121.088 RF   23.8 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.720   40.659  173.356 RF   23.6 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.387   20.578  161.440 RF   23.6 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  354.753   35.057  176.155 RF   23.6 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   23.5 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   23.5 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   23.4 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.350   24.444   96.617 RF   23.3 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.388   40.196  156.612 RF   23.3 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   23.3 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.579   40.955  159.133 RF   23.3 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.503   23.357  174.519 RF   23.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.303   26.896  133.601 RF   23.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  150.964   23.516  187.127 RF   23.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  109.395   40.969  157.891 RF   23.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   33.461   49.419  162.623 RF   23.2 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   23.2 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  271.855   32.527  156.428 RF   23.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.760   41.761  152.978 RF   23.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   39.217   24.887  175.166 RF   23.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.978   35.299  140.263 RF   23.1 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.035   34.851  174.050 RF   23.1 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.765   26.601  136.983 RF   23.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.724   13.530   93.504 RF   23.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  312.617   35.970  173.606 RF   23.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.398   57.665  177.443 RF   23.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.463   11.731  223.636 RF   23.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.783   30.176  192.557 RF   23.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.421   32.003  162.877 RF   22.9 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    4.698   37.016  136.079 RF   22.9 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   77.540   40.554  164.094 RF   22.9 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.845   12.423  144.349 RF   22.9 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  123.236   31.689  163.207 RF   22.9 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  279.431   21.677  148.420 RF   22.8 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  106.135   20.592  161.627 RF   22.8 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    2.250   24.787  138.003 RF   22.7 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   18.088   44.278  180.089 RF   22.6 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   83.122   33.725  189.808 RF   22.6 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.262   28.939  129.773 RF   22.6 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  295.961   26.173  120.258 RF   22.4 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.414    5.368  211.612 RF   22.4 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  349.103   30.540  132.244 RF   22.4 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   67.853   45.121  177.517 RF   22.4 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  173.721   21.562  138.206 RF   22.4 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   58.687   41.572  152.743 RF   22.4 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   12.483   21.810  155.358 RF   22.3 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  271.321   28.944  125.698 RF   22.3 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.705   28.038  181.965 RF   22.2 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  215.420   15.592  125.650 RF   22.2 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.105   29.162  138.969 RF   22.2 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.526   31.131  133.953 RF   22.2 RFZ  2.84 # DEEP

   This TF set has 396 trial orientations

   #    Euler                  Rot-LLG      RF     RFZ  Ensemble
   1      35.7   33.6  180.1      43.4    43.4     4.7 helix_pdb
   2     132.6   24.8  184.1      42.7    42.7     4.7 helix_pdb
   3     263.5   21.1  136.3      42.3    42.3     4.6 helix_pdb
   4     272.2   32.1  134.6      42.0    42.0     4.6 helix_pdb
   5     239.7   32.0  139.9      41.8    41.8     4.6 helix_pdb
   6     118.9   30.7  179.4      41.5    41.5     4.6 helix_pdb
   7     245.9   28.8  133.3      41.5    41.5     4.6 helix_pdb
   8     310.8   41.5  152.5      41.4    41.4     4.6 helix_pdb
   9     330.7   38.3  140.5      40.5    40.5     4.5 helix_pdb
   10    319.3   44.0  153.0      40.5    40.5     4.5 helix_pdb
   11     63.2   40.0  170.8      39.8    39.8     4.4 helix_pdb
   12    307.8   37.6  145.6      39.7    39.7     4.4 helix_pdb
   13     13.6   39.0  148.1      39.7    39.7     4.4 helix_pdb
   14      4.3   40.9  145.7      39.5    39.5     4.4 helix_pdb
   15    334.8   42.1  156.5      39.4    39.4     4.4 helix_pdb
   16    299.6   37.0  144.5      39.3    39.3     4.4 helix_pdb
   17    143.0   23.8  183.0      39.1    39.1     4.4 helix_pdb
   18    314.5   36.6  138.2      38.7    38.7     4.3 helix_pdb
   19    287.3   29.8  138.9      38.7    38.7     4.3 helix_pdb
   20    242.0   19.3  140.1      38.7    38.7     4.3 helix_pdb
   21      8.5   39.1  169.4      38.6    38.6     4.3 helix_pdb
   22     18.3   35.3  178.6      38.5    38.5     4.3 helix_pdb
   23    207.1   21.3  158.0      38.5    38.5     4.3 helix_pdb
   24     47.1   40.8  168.3      38.2    38.2     4.3 helix_pdb
   25    170.7   21.5  174.2      37.7    37.7     4.2 helix_pdb
   26    137.4   28.9  179.3      37.6    37.6     4.2 helix_pdb
   27     36.9   41.0  157.9      37.5    37.5     4.2 helix_pdb
   28     91.1   26.6  178.8      37.5    37.5     4.2 helix_pdb
   29    236.3   27.7  133.5      37.4    37.4     4.2 helix_pdb
   30    264.3   24.5  145.0      37.4    37.4     4.2 helix_pdb
   31    182.1   20.9  172.2      37.3    37.3     4.2 helix_pdb
   32    234.0   22.8  148.4      37.0    37.0     4.2 helix_pdb
   33     72.9   37.6  169.8      37.0    37.0     4.2 helix_pdb
   34    262.1   29.2  136.3      36.8    36.8     4.1 helix_pdb
   35    354.4   39.7  167.5      36.8    36.8     4.1 helix_pdb
   36    104.5   28.1  184.9      36.7    36.7     4.1 helix_pdb
   37     39.0   41.2  167.1      36.6    36.6     4.1 helix_pdb
   38    209.6   24.7  136.0      36.6    36.6     4.1 helix_pdb
   39    338.1   44.9  164.3      36.6    36.6     4.1 helix_pdb
   40    306.4   35.7  137.0      36.4    36.4     4.1 helix_pdb
   41     54.0   42.5  171.2      36.3    36.3     4.1 helix_pdb
   42    289.4   34.0  135.7      36.2    36.2     4.1 helix_pdb
   43    224.4   25.7  137.0      36.1    36.1     4.1 helix_pdb
   44    206.2   27.8  147.0      36.0    36.0     4.1 helix_pdb
   45     76.8   24.3  174.1      35.9    35.9     4.1 helix_pdb
   46    269.0   28.2  139.2      35.9    35.9     4.1 helix_pdb
   47     21.6   36.4  153.5      35.9    35.9     4.1 helix_pdb
   48    325.9   37.4  156.6      35.9    35.9     4.1 helix_pdb
   49     43.7   35.0  181.8      35.8    35.8     4.1 helix_pdb
   50    250.8   22.2  149.9      35.7    35.7     4.0 helix_pdb
   51    301.8   39.0  152.6      35.7    35.7     4.0 helix_pdb
   52    125.0   29.0  150.7      35.5    35.5     4.0 helix_pdb
   53     75.5   34.4  177.1      35.5    35.5     4.0 helix_pdb
   54    190.4   22.9  140.2      35.3    35.3     4.0 helix_pdb
   55    150.3   21.6  163.0      35.3    35.3     4.0 helix_pdb
   56      9.6   38.4  177.5      35.3    35.3     4.0 helix_pdb
   57    118.4   22.6  168.1      35.3    35.3     4.0 helix_pdb
   58     18.2   41.8  147.9      35.3    35.3     4.0 helix_pdb
   59     81.2   37.2  170.7      35.2    35.2     4.0 helix_pdb
   60    187.5   17.8  142.8      35.2    35.2     4.0 helix_pdb
   61    216.5   28.4  146.6      35.2    35.2     4.0 helix_pdb
   62     68.5   27.2  153.3      34.9    34.9     4.0 helix_pdb
   63     97.5   23.4  171.2      34.9    34.9     4.0 helix_pdb
   64     86.2   34.2  153.4      34.8    34.8     4.0 helix_pdb
   65     61.8   25.2  150.8      34.7    34.7     4.0 helix_pdb
   66    110.5   25.2  177.4      34.7    34.7     4.0 helix_pdb
   67      7.0   35.9  152.2      34.7    34.7     4.0 helix_pdb
   68    154.7   35.4  158.0      34.7    34.7     4.0 helix_pdb
   69    355.2   42.6  144.5      34.5    34.5     3.9 helix_pdb
   70     89.5   36.7  171.6      34.5    34.5     3.9 helix_pdb
   71    200.3   18.4  139.6      34.4    34.4     3.9 helix_pdb
   72    254.3   27.7  166.2      34.4    34.4     3.9 helix_pdb
   73    260.3   25.9  169.4      34.3    34.3     3.9 helix_pdb
   74     56.2   37.1  156.6      34.3    34.3     3.9 helix_pdb
   75    223.5   22.5  150.1      34.3    34.3     3.9 helix_pdb
   76    188.0   25.5  167.8      34.2    34.2     3.9 helix_pdb
   77      1.4   41.5  174.2      34.2    34.2     3.9 helix_pdb
   78    152.6   30.0  150.4      34.1    34.1     3.9 helix_pdb
   79    171.7   16.9  170.8      34.1    34.1     3.9 helix_pdb
   80    342.6   37.6  158.3      34.1    34.1     3.9 helix_pdb
   81     67.2   35.1  176.2      34.1    34.1     3.9 helix_pdb
   82    138.4   28.8  146.0      34.0    34.0     3.9 helix_pdb
   83    158.2   17.6  174.6      33.9    33.9     3.9 helix_pdb
   84    119.8   27.8  146.6      33.9    33.9     3.9 helix_pdb
   85    349.0   39.8  150.8      33.9    33.9     3.9 helix_pdb
   86    284.1   25.7  143.0      33.8    33.8     3.9 helix_pdb
   87     78.1   27.4  152.7      33.8    33.8     3.9 helix_pdb
   88    350.8   44.4  159.2      33.8    33.8     3.9 helix_pdb
   89      9.3   30.0  168.0      33.8    33.8     3.9 helix_pdb
   90     42.6   32.8  151.2      33.7    33.7     3.9 helix_pdb
   91    136.1   16.2  158.5      33.7    33.7     3.9 helix_pdb
   92    170.1   30.7  141.5      33.6    33.6     3.9 helix_pdb
   93    338.8   41.2  141.6      33.6    33.6     3.9 helix_pdb
   94    226.1   28.7  167.3      33.5    33.5     3.9 helix_pdb
   95     49.3   26.8  154.6      33.5    33.5     3.9 helix_pdb
   96    260.2   37.3  135.8      33.5    33.5     3.9 helix_pdb
   97    110.7   28.5  188.9      33.5    33.5     3.8 helix_pdb
   98    304.1   28.7  161.0      33.4    33.4     3.8 helix_pdb
   99    124.2   23.2  171.9      33.4    33.4     3.8 helix_pdb
   100    60.4   33.0  183.5      33.4    33.4     3.8 helix_pdb
   101    19.9   43.8  151.3      33.3    33.3     3.8 helix_pdb
   102   311.9   26.5  162.4      33.3    33.3     3.8 helix_pdb
   103    50.8   44.9  163.8      33.3    33.3     3.8 helix_pdb
   104   201.9   28.4  141.6      33.2    33.2     3.8 helix_pdb
   105   293.6   38.8  151.5      33.1    33.1     3.8 helix_pdb
   106    67.1   25.0  174.7      33.1    33.1     3.8 helix_pdb
   107   139.5   30.1  154.8      33.0    33.0     3.8 helix_pdb
   108    94.9   34.5  153.8      33.0    33.0     3.8 helix_pdb
   109   253.3   30.3  146.4      33.0    33.0     3.8 helix_pdb
   110   161.1   21.6  161.0      33.0    33.0     3.8 helix_pdb
   111   161.0   30.0  141.4      32.9    32.9     3.8 helix_pdb
   112   316.8   32.1  167.6      32.9    32.9     3.8 helix_pdb
   113    95.9   37.8  175.2      32.9    32.9     3.8 helix_pdb
   114   218.0   20.9  130.0      32.9    32.9     3.8 helix_pdb
   115   340.0   32.2  141.2      32.8    32.8     3.8 helix_pdb
   116   290.4   33.1  166.7      32.7    32.7     3.8 helix_pdb
   117    26.5   33.7  170.1      32.7    32.7     3.8 helix_pdb
   118   194.8   32.1  146.9      32.7    32.7     3.8 helix_pdb
   119   353.6   30.7  168.0      32.6    32.6     3.8 helix_pdb
   120   144.5   34.2  148.9      32.6    32.6     3.8 helix_pdb
   121   331.4   26.3  160.8      32.5    32.5     3.8 helix_pdb
   122   170.8   30.8  150.4      32.5    32.5     3.8 helix_pdb
   123   322.8   28.6  160.3      32.4    32.4     3.8 helix_pdb
   124   331.0   25.5  151.2      32.3    32.3     3.7 helix_pdb
   125   130.3   30.0  155.0      32.3    32.3     3.7 helix_pdb
   126   231.2   27.3  171.5      32.0    32.0     3.7 helix_pdb
   127   327.4   46.4  154.0      32.0    32.0     3.7 helix_pdb
   128   357.9   33.6  142.2      32.0    32.0     3.7 helix_pdb
   129   281.6   33.4  166.5      31.9    31.9     3.7 helix_pdb
   130    46.9   28.6  167.4      31.8    31.8     3.7 helix_pdb
   131    65.1   29.9  146.5      31.8    31.8     3.7 helix_pdb
   132   248.3   29.3  162.7      31.8    31.8     3.7 helix_pdb
   133   177.1   30.6  164.1      31.7    31.7     3.7 helix_pdb
   134   105.0   25.8  143.1      31.7    31.7     3.7 helix_pdb
   135    95.2   25.2  143.9      31.6    31.6     3.7 helix_pdb
   136    18.4   45.1  157.3      31.6    31.6     3.7 helix_pdb
   137     7.6   37.5  161.0      31.6    31.6     3.7 helix_pdb
   138   198.8   25.2  166.8      31.5    31.5     3.7 helix_pdb
   139   166.3   21.7  165.5      31.5    31.5     3.7 helix_pdb
   140   192.6   30.3  164.0      31.5    31.5     3.7 helix_pdb
   141    72.9   36.8  146.8      31.5    31.5     3.7 helix_pdb
   142   336.1   35.9  166.6      31.5    31.5     3.7 helix_pdb
   143   147.0   17.1  166.3      31.4    31.4     3.7 helix_pdb
   144    68.7   32.0  184.3      31.4    31.4     3.7 helix_pdb
   145   285.3   38.4  150.6      31.4    31.4     3.7 helix_pdb
   146   221.5   32.7  151.4      31.4    31.4     3.7 helix_pdb
   147   240.9   26.8  170.8      31.4    31.4     3.7 helix_pdb
   148   204.0   32.6  147.2      31.3    31.3     3.7 helix_pdb
   149   114.5   26.4  142.5      31.1    31.1     3.6 helix_pdb
   150   189.2   22.1  150.3      31.1    31.1     3.6 helix_pdb
   151   253.5   26.1  125.3      31.1    31.1     3.6 helix_pdb
   152   176.1   30.9  154.4      31.0    31.0     3.6 helix_pdb
   153   155.8   31.4  167.9      31.0    31.0     3.6 helix_pdb
   154   228.4   26.7  154.6      31.0    31.0     3.6 helix_pdb
   155    30.4   24.9  165.3      31.0    31.0     3.6 helix_pdb
   156    10.7   27.0  148.4      31.0    31.0     3.6 helix_pdb
   157   238.5   34.6  163.9      30.9    30.9     3.6 helix_pdb
   158   332.3   34.5  149.4      30.9    30.9     3.6 helix_pdb
   159   112.0   29.6  155.3      30.9    30.9     3.6 helix_pdb
   160    66.9   34.6  143.2      30.8    30.8     3.6 helix_pdb
   161   218.5   18.2  145.9      30.8    30.8     3.6 helix_pdb
   162   303.7   27.0  141.3      30.7    30.7     3.6 helix_pdb
   163    47.9   26.4  175.9      30.6    30.6     3.6 helix_pdb
   164   321.0   40.8  162.8      30.6    30.6     3.6 helix_pdb
   165    31.0   41.5  165.8      30.6    30.6     3.6 helix_pdb
   166    89.7   37.8  148.5      30.6    30.6     3.6 helix_pdb
   167   153.8   30.8  159.2      30.5    30.5     3.6 helix_pdb
   168   278.4   40.0  147.6      30.4    30.4     3.6 helix_pdb
   169    24.2   35.2  146.6      30.4    30.4     3.6 helix_pdb
   170   179.4   35.7  151.0      30.3    30.3     3.6 helix_pdb
   171   209.8   31.6  154.8      30.2    30.2     3.6 helix_pdb
   172   358.9   42.1  160.5      30.2    30.2     3.6 helix_pdb
   173    86.5   30.1  184.8      30.2    30.2     3.6 helix_pdb
   174   350.9   35.3  159.2      30.1    30.1     3.6 helix_pdb
   175   224.3   30.8  159.2      30.1    30.1     3.5 helix_pdb
   ----- angles below here for deep search only -----
   176   266.8   29.1  162.3      30.1    30.1     3.5 helix_pdb
   177   316.8   35.1  156.7      30.0    30.0     3.5 helix_pdb
   178    41.8   24.6  152.9      30.0    30.0     3.5 helix_pdb
   179   233.3   30.8  159.2      30.0    30.0     3.5 helix_pdb
   180   133.6   27.8  141.5      30.0    30.0     3.5 helix_pdb
   181   207.4   29.4  167.8      29.9    29.9     3.5 helix_pdb
   182   322.2   27.2  131.4      29.8    29.8     3.5 helix_pdb
   183   239.9   24.4  161.8      29.8    29.8     3.5 helix_pdb
   184   131.6   36.7  164.2      29.8    29.8     3.5 helix_pdb
   185   350.9   26.2  159.2      29.8    29.8     3.5 helix_pdb
   186    37.7   34.4  143.8      29.8    29.8     3.5 helix_pdb
   187     9.0   30.8  159.2      29.8    29.8     3.5 helix_pdb
   188    98.1   38.3  149.4      29.7    29.7     3.5 helix_pdb
   189   106.3   35.7  173.3      29.6    29.6     3.5 helix_pdb
   190   332.6   27.0  170.3      29.5    29.5     3.5 helix_pdb
   191    15.9   37.4  161.8      29.5    29.5     3.5 helix_pdb
   192   341.6   28.5  159.6      29.4    29.4     3.5 helix_pdb
   193    56.3   20.6  156.8      29.4    29.4     3.5 helix_pdb
   194    42.1   37.0  173.7      29.3    29.3     3.5 helix_pdb
   195   343.0   46.6  157.4      29.3    29.3     3.5 helix_pdb
   196   144.7   30.8  159.2      29.3    29.3     3.5 helix_pdb
   197   266.4   24.0  172.4      29.3    29.3     3.5 helix_pdb
   198   313.5   26.1  131.1      29.2    29.2     3.5 helix_pdb
   199    19.0   28.6  158.1      29.2    29.2     3.5 helix_pdb
   200   296.7   30.8  159.2      29.2    29.2     3.5 helix_pdb
   201   136.3   40.2  158.3      29.1    29.1     3.5 helix_pdb
   202    52.4   32.7  161.4      29.1    29.1     3.5 helix_pdb
   203     4.8   44.9  154.6      29.0    29.0     3.5 helix_pdb
   204   156.9   27.3  179.4      28.9    28.9     3.4 helix_pdb
   205   239.1   33.3  152.1      28.9    28.9     3.4 helix_pdb
   206   359.7   33.0  159.5      28.9    28.9     3.4 helix_pdb
   207   217.5   27.2  176.3      28.8    28.8     3.4 helix_pdb
   208   174.8   16.5  177.4      28.8    28.8     3.4 helix_pdb
   209    23.0   33.3  142.8      28.8    28.8     3.4 helix_pdb
   210   165.5   35.6  167.6      28.7    28.7     3.4 helix_pdb
   211   233.5   23.6  125.9      28.7    28.7     3.4 helix_pdb
   212   130.9   39.3  153.8      28.7    28.7     3.4 helix_pdb
   213   126.0   21.0  190.8      28.7    28.7     3.4 helix_pdb
   214    27.8   30.8  187.5      28.6    28.6     3.4 helix_pdb
   215   274.3   35.9  130.7      28.6    28.6     3.4 helix_pdb
   216    27.1   27.8  147.5      28.6    28.6     3.4 helix_pdb
   217   174.8   35.2  168.2      28.6    28.6     3.4 helix_pdb
   218   172.2   26.0  175.4      28.5    28.5     3.4 helix_pdb
   219   181.7   26.2  158.3      28.5    28.5     3.4 helix_pdb
   220    59.3   34.6  164.0      28.5    28.5     3.4 helix_pdb
   221   137.8   32.1  167.5      28.5    28.5     3.4 helix_pdb
   222   206.7   17.6  148.9      28.5    28.5     3.4 helix_pdb
   223    29.9   26.5  156.0      28.4    28.4     3.4 helix_pdb
   224   287.6   30.8  159.2      28.3    28.3     3.4 helix_pdb
   225   100.1   34.7  169.5      28.3    28.3     3.4 helix_pdb
   226   114.5   38.8  151.6      28.3    28.3     3.4 helix_pdb
   227   352.7   37.5  173.4      28.1    28.1     3.4 helix_pdb
   228     1.1   24.0  157.9      28.0    28.0     3.4 helix_pdb
   229   278.6   30.8  159.2      27.8    27.8     3.3 helix_pdb
   230   245.3   32.2  155.7      27.8    27.8     3.3 helix_pdb
   231    34.8   32.9  160.8      27.7    27.7     3.3 helix_pdb
   232    66.8   21.9  184.3      27.7    27.7     3.3 helix_pdb
   233    25.1   35.1  161.7      27.7    27.7     3.3 helix_pdb
   234   188.5   36.1  151.9      27.7    27.7     3.3 helix_pdb
   235    75.1   27.7  166.2      27.6    27.6     3.3 helix_pdb
   236   312.8   27.7  141.3      27.6    27.6     3.3 helix_pdb
   237    57.2   23.0  184.9      27.6    27.6     3.3 helix_pdb
   238   351.9   21.7  148.5      27.6    27.6     3.3 helix_pdb
   239   152.4   26.2  160.8      27.6    27.6     3.3 helix_pdb
   240   207.9   27.9  176.7      27.6    27.6     3.3 helix_pdb
   241   290.7   38.1  132.9      27.5    27.5     3.3 helix_pdb
   242   262.0   38.9  145.3      27.5    27.5     3.3 helix_pdb
   243   204.1   12.4  151.5      27.4    27.4     3.3 helix_pdb
   244   345.9   39.5  134.7      27.4    27.4     3.3 helix_pdb
   245   354.9   48.8  167.2      27.3    27.3     3.3 helix_pdb
   246    31.9   42.5  150.4      27.3    27.3     3.3 helix_pdb
   247   350.2   30.7  150.1      27.3    27.3     3.3 helix_pdb
   248    84.5   27.3  165.8      27.2    27.2     3.3 helix_pdb
   249   332.6   43.6  148.1      27.2    27.2     3.3 helix_pdb
   250   331.1   29.2  141.2      27.1    27.1     3.3 helix_pdb
   251   112.6   36.4  177.1      27.1    27.1     3.3 helix_pdb
   252   253.8   38.4  144.0      27.1    27.1     3.3 helix_pdb
   253   254.2   32.3  155.9      27.1    27.1     3.3 helix_pdb
   254     6.6   44.3  162.2      27.0    27.0     3.3 helix_pdb
   255   260.5   30.8  159.2      26.9    26.9     3.3 helix_pdb
   256     8.0   32.1  142.1      26.9    26.9     3.3 helix_pdb
   257   335.6   60.2  153.7      26.9    26.9     3.3 helix_pdb
   258   184.2   22.5  137.0      26.8    26.8     3.3 helix_pdb
   259     0.5   32.4  174.5      26.8    26.8     3.3 helix_pdb
   260   246.3   25.1  174.6      26.8    26.8     3.3 helix_pdb
   261   221.3   35.0  162.8      26.8    26.8     3.3 helix_pdb
   262   132.9   26.4  162.3      26.8    26.8     3.3 helix_pdb
   263   276.5   23.5  171.3      26.8    26.8     3.3 helix_pdb
   264   253.3   16.3  128.4      26.7    26.7     3.3 helix_pdb
   265   207.2   22.8  147.5      26.7    26.7     3.3 helix_pdb
   266   161.6   31.4  173.0      26.7    26.7     3.2 helix_pdb
   267   243.8   38.1  168.7      26.7    26.7     3.2 helix_pdb
   268   258.6   35.5  150.2      26.6    26.6     3.2 helix_pdb
   269   168.9   35.3  142.5      26.6    26.6     3.2 helix_pdb
   270   168.8   39.9  163.1      26.6    26.6     3.2 helix_pdb
   271   204.2   35.1  161.6      26.6    26.6     3.2 helix_pdb
   272   271.4   41.3  144.4      26.6    26.6     3.2 helix_pdb
   273   243.5   36.1  146.0      26.6    26.6     3.2 helix_pdb
   274   234.9   35.6  145.2      26.5    26.5     3.2 helix_pdb
   275     8.1   48.1  170.5      26.5    26.5     3.2 helix_pdb
   276   286.9   23.0  169.8      26.5    26.5     3.2 helix_pdb
   277   192.6   29.4  173.2      26.5    26.5     3.2 helix_pdb
   278   125.9   33.4  171.2      26.4    26.4     3.2 helix_pdb
   279   302.5   34.5  174.6      26.4    26.4     3.2 helix_pdb
   280   112.9   20.7  184.0      26.4    26.4     3.2 helix_pdb
   281   117.3   33.9  170.6      26.3    26.3     3.2 helix_pdb
   282   268.8   37.7  148.5      26.2    26.2     3.2 helix_pdb
   283   128.6   20.7  157.0      26.2    26.2     3.2 helix_pdb
   284   117.6   30.8  159.2      26.2    26.2     3.2 helix_pdb
   285    52.7   31.5  191.5      26.2    26.2     3.2 helix_pdb
   286   276.9   21.1  122.0      26.1    26.1     3.2 helix_pdb
   287   285.8   22.6  122.0      26.1    26.1     3.2 helix_pdb
   288    31.3   27.0  139.0      26.0    26.0     3.2 helix_pdb
   289   296.4   20.6  159.3      26.0    26.0     3.2 helix_pdb
   290   356.3   44.1  175.1      26.0    26.0     3.2 helix_pdb
   291    49.3   33.3  141.9      26.0    26.0     3.2 helix_pdb
   292   195.6   35.3  161.0      25.9    25.9     3.2 helix_pdb
   293   257.5   21.0  152.6      25.9    25.9     3.2 helix_pdb
   294   102.3   38.6  179.1      25.9    25.9     3.2 helix_pdb
   295   171.9   26.2  159.1      25.9    25.9     3.2 helix_pdb
   296    18.3   30.4  143.1      25.9    25.9     3.2 helix_pdb
   297    24.6   42.5  173.3      25.8    25.8     3.2 helix_pdb
   298   350.7   28.5  175.1      25.8    25.8     3.2 helix_pdb
   299    99.5   30.8  159.2      25.7    25.7     3.2 helix_pdb
   300   283.0   18.3  125.8      25.7    25.7     3.2 helix_pdb
   301   171.6   26.1  140.2      25.7    25.7     3.2 helix_pdb
   302   338.5   31.8  176.5      25.6    25.6     3.2 helix_pdb
   303   321.6   36.2  130.6      25.6    25.6     3.1 helix_pdb
   304    22.4   43.9  165.3      25.5    25.5     3.1 helix_pdb
   305   100.2   31.3  191.2      25.4    25.4     3.1 helix_pdb
   306   192.3   28.0  138.8      25.4    25.4     3.1 helix_pdb
   307    81.4   30.8  159.2      25.4    25.4     3.1 helix_pdb
   308   295.0   28.6  150.8      25.4    25.4     3.1 helix_pdb
   309   111.3   33.0  166.7      25.3    25.3     3.1 helix_pdb
   310   219.0   39.2  165.8      25.3    25.3     3.1 helix_pdb
   311   294.9   21.8  122.4      25.3    25.3     3.1 helix_pdb
   312   256.8   13.7  134.6      25.3    25.3     3.1 helix_pdb
   313   285.3   35.8  173.3      25.2    25.2     3.1 helix_pdb
   314    89.5   21.3  150.4      25.1    25.1     3.1 helix_pdb
   315   354.0   46.6  172.4      25.1    25.1     3.1 helix_pdb
   316   140.9   33.1  175.6      25.0    25.0     3.1 helix_pdb
   317   155.4   40.0  157.0      25.0    25.0     3.1 helix_pdb
   318    19.1   26.3  176.8      25.0    25.0     3.1 helix_pdb
   319   330.0   34.7  175.2      24.9    24.9     3.1 helix_pdb
   320   147.2   28.4  136.6      24.9    24.9     3.1 helix_pdb
   321     9.3   29.3  177.0      24.9    24.9     3.1 helix_pdb
   322   156.7   29.3  136.4      24.9    24.9     3.1 helix_pdb
   323   260.3   37.3  170.7      24.9    24.9     3.1 helix_pdb
   324   227.3   12.2  146.4      24.9    24.9     3.1 helix_pdb
   325   248.5   40.7  162.8      24.9    24.9     3.1 helix_pdb
   326    90.4   30.8  159.2      24.8    24.8     3.1 helix_pdb
   327   275.6   36.2  151.6      24.8    24.8     3.1 helix_pdb
   328   132.1   33.8  175.1      24.7    24.7     3.1 helix_pdb
   329   323.3   49.5  159.4      24.7    24.7     3.1 helix_pdb
   330   264.7   17.6  125.9      24.5    24.5     3.1 helix_pdb
   331   304.2   28.9  150.7      24.5    24.5     3.1 helix_pdb
   332   100.2   21.6  148.6      24.5    24.5     3.1 helix_pdb
   333    42.1   40.9  150.0      24.4    24.4     3.0 helix_pdb
   334   264.7   40.4  165.3      24.4    24.4     3.0 helix_pdb
   335   176.9   17.0  135.1      24.3    24.3     3.0 helix_pdb
   336   163.6   40.0  158.2      24.3    24.3     3.0 helix_pdb
   337   193.8   33.0  138.3      24.3    24.3     3.0 helix_pdb
   338   175.3   30.5  175.2      24.3    24.3     3.0 helix_pdb
   339    10.9   21.0  165.8      24.2    24.2     3.0 helix_pdb
   340   265.2   34.1  153.4      24.2    24.2     3.0 helix_pdb
   341    10.6   47.8  151.3      24.1    24.1     3.0 helix_pdb
   342   125.6   40.9  160.4      24.1    24.1     3.0 helix_pdb
   343   152.3   24.7  141.2      24.0    24.0     3.0 helix_pdb
   344   304.5   47.5  147.9      24.0    24.0     3.0 helix_pdb
   345   276.8   36.5  172.7      23.9    23.9     3.0 helix_pdb
   346   304.7   25.4  121.1      23.8    23.8     3.0 helix_pdb
   347   341.7   40.7  173.4      23.6    23.6     3.0 helix_pdb
   348   285.4   20.6  161.4      23.6    23.6     3.0 helix_pdb
   349   354.8   35.1  176.2      23.6    23.6     3.0 helix_pdb
   350   232.6   37.5  171.1      23.5    23.5     3.0 helix_pdb
   351    35.0   58.5  174.9      23.5    23.5     3.0 helix_pdb
   352    60.8   26.6  129.6      23.4    23.4     3.0 helix_pdb
   353   300.4   24.4   96.6      23.3    23.3     3.0 helix_pdb
   354   183.4   40.2  156.6      23.3    23.3     2.9 helix_pdb
   355   224.3   30.8  179.4      23.3    23.3     2.9 helix_pdb
   356   296.6   41.0  159.1      23.3    23.3     2.9 helix_pdb
   357   209.5   23.4  174.5      23.2    23.2     2.9 helix_pdb
   358    47.3   26.9  133.6      23.2    23.2     2.9 helix_pdb
   359   151.0   23.5  187.1      23.2    23.2     2.9 helix_pdb
   360   109.4   41.0  157.9      23.2    23.2     2.9 helix_pdb
   361    33.5   49.4  162.6      23.2    23.2     2.9 helix_pdb
   362   352.1   21.6  169.2      23.2    23.2     2.9 helix_pdb
   363   271.9   32.5  156.4      23.1    23.1     2.9 helix_pdb
   364   209.8   41.8  153.0      23.1    23.1     2.9 helix_pdb
   365    39.2   24.9  175.2      23.1    23.1     2.9 helix_pdb
   366   218.0   35.3  140.3      23.1    23.1     2.9 helix_pdb
   367   179.0   34.9  174.0      23.1    23.1     2.9 helix_pdb
   368   128.8   26.6  137.0      23.0    23.0     2.9 helix_pdb
   369   287.7   13.5   93.5      23.0    23.0     2.9 helix_pdb
   370   312.6   36.0  173.6      23.0    23.0     2.9 helix_pdb
   371    42.4   57.7  177.4      23.0    23.0     2.9 helix_pdb
   372    72.5   11.7  223.6      23.0    23.0     2.9 helix_pdb
   373    60.8   30.2  192.6      23.0    23.0     2.9 helix_pdb
   374   105.4   32.0  162.9      22.9    22.9     2.9 helix_pdb
   375     4.7   37.0  136.1      22.9    22.9     2.9 helix_pdb
   376    77.5   40.6  164.1      22.9    22.9     2.9 helix_pdb
   377   176.8   12.4  144.3      22.9    22.9     2.9 helix_pdb
   378   123.2   31.7  163.2      22.9    22.9     2.9 helix_pdb
   379   279.4   21.7  148.4      22.8    22.8     2.9 helix_pdb
   380   106.1   20.6  161.6      22.8    22.8     2.9 helix_pdb
   381     2.3   24.8  138.0      22.7    22.7     2.9 helix_pdb
   382    18.1   44.3  180.1      22.6    22.6     2.9 helix_pdb
   383    83.1   33.7  189.8      22.6    22.6     2.9 helix_pdb
   384    79.3   28.9  129.8      22.6    22.6     2.9 helix_pdb
   385   296.0   26.2  120.3      22.4    22.4     2.9 helix_pdb
   386   101.4    5.4  211.6      22.4    22.4     2.9 helix_pdb
   387   349.1   30.5  132.2      22.4    22.4     2.9 helix_pdb
   388    67.9   45.1  177.5      22.4    22.4     2.9 helix_pdb
   389   173.7   21.6  138.2      22.4    22.4     2.9 helix_pdb
   390    58.7   41.6  152.7      22.4    22.4     2.9 helix_pdb
   391    12.5   21.8  155.4      22.3    22.3     2.9 helix_pdb
   392   271.3   28.9  125.7      22.3    22.3     2.9 helix_pdb
   393   304.7   28.0  182.0      22.2    22.2     2.9 helix_pdb
   394   215.4   15.6  125.7      22.2    22.2     2.9 helix_pdb
   395    99.1   29.2  139.0      22.2    22.2     2.8 helix_pdb
   396    84.5   31.1  134.0      22.2    22.2     2.8 helix_pdb
      175 trial orientations in initial search
      221 trial orientations in deep search

   Scoring 792 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #1 of 1
   0%                 100%
   |===================| DONE

   Mean Score (Sigma):       19.75   ( 6.68)

   SET #1 of 1 TRIAL #1 of 175
   ---------------------------
   Ensemble helix_pdb Euler  35.72  33.64 180.08 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      405 peaks
      All peaks checked for packing
      Translation peak 1 first to be kept
      Done

   New Top Packing Fast Translation Function FSS = 62.31 (TFZ=4.3) at Trial #1

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 9 sites over 67.5% of top
   9 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.265 -0.000  0.855     62.308  4.31
   2      0.796 -0.000  0.921     60.221  3.83
   3      0.890 -0.000  0.977     58.677  3.47
   #Sites = 9: output truncated to 3 sites

   Top 9 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #1 of 175
   0% 100%
   |==| DONE

   Packing LLG Translations: pass 1 of 11...
      9 peaks
      1 peaks over 53.1265 checked for packing
      Translation peak 1 first to be kept
      Done
      Exit: found a peak that packs

   New Top (ML) Translation Function LLG = 53.13 (TFZ=4.3) at Trial #1
   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.265 -0.000  0.855     53.126  4.31   0.0      1     62.308/    62.308
   2      0.796 -0.000  0.921     50.691  3.83  45.5      1     60.221/    60.221
   3      0.890 -0.000  0.977     49.682  3.47  40.1      1     58.677/    58.677
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #2 of 175
   ---------------------------
   Ensemble helix_pdb Euler 132.64  24.83 184.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.31 (TFZ=4.3)
   Current Top (ML) Packing Translation Function LLG = 53.13 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.719 -0.000  0.576     56.735  3.26
   2      0.821 -0.000  0.520     56.653  3.24
   3      0.079  0.000  0.798     56.556  3.21
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #2 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.079  0.000  0.798     47.686  3.21   0.0      1     56.556/    56.556
   2      0.821 -0.000  0.520     47.675  3.24  18.3      1     56.653/    56.653
   3      0.696 -0.000  0.909     47.044  3.17  40.3      1     56.408/    56.408
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #3 of 175
   ---------------------------
   Ensemble helix_pdb Euler 263.51  21.06 136.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.31 (TFZ=4.3)
   Current Top (ML) Packing Translation Function LLG = 53.13 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 7 sites over 67.5% of top
   7 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.780  0.000  0.681     59.243  3.83
   2      0.772 -0.000  0.670     57.800  3.49
   3      0.834  0.000  0.792     57.424  3.40
   #Sites = 7: output truncated to 3 sites

   Top 7 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #3 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.780  0.000  0.681     50.019  3.83   0.0      2     59.243/    59.243
   2      0.834  0.000  0.792     47.979  3.40   5.4      1     57.424/    57.424
   3      0.748 -0.000  0.626     47.685  3.37   2.8      1     57.335/    57.335
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #4 of 175
   ---------------------------
   Ensemble helix_pdb Euler 272.16  32.06 134.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.31 (TFZ=4.3)
   Current Top (ML) Packing Translation Function LLG = 53.13 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 9 sites over 67.5% of top
   9 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.151 -0.000  0.939     59.885  3.80
   2      0.128 -0.000  0.884     59.378  3.69
   3      0.870  0.000  0.606     59.155  3.64
   #Sites = 9: output truncated to 3 sites

   Top 9 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #4 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.151 -0.000  0.939     48.779  3.80   0.0      1     59.885/    59.885
   2      0.128 -0.000  0.884     48.702  3.69   2.7      2     59.378/    59.378
   3      0.870  0.000  0.606     47.731  3.64  20.3      1     59.155/    59.155
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #5 of 175
   ---------------------------
   Ensemble helix_pdb Euler 239.75  32.04 139.85 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      399 peaks
      1 peaks over 62.3084 checked for packing
      Translation peak 1 first to be kept
      Done

   New Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5) at Trial #5

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.058 -0.000  0.754     62.479  4.54
   2      0.019 -0.000  0.643     59.032  3.79
   3      0.089  0.000  0.809     57.742  3.50
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #5 of 175
   0% 100%
   |==| DONE

   Packing LLG Translations: pass 1 of 1...
      10 peaks
      1 peaks over 53.1265 checked for packing
      Translation peak 1 first to be kept
      Done
      Exit: found a peak that packs

   New Top (ML) Translation Function LLG = 53.58 (TFZ=4.5) at Trial #5
   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.058 -0.000  0.754     53.578  4.54   0.0      1     62.479/    62.479
   2      0.019 -0.000  0.643     49.288  3.79   5.5      1     59.032/    59.032
   3      0.089  0.000  0.809     48.736  3.50   2.8      1     57.742/    57.742
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #6 of 175
   ---------------------------
   Ensemble helix_pdb Euler 118.95  30.67 179.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.077  0.000  0.726     58.222  3.71
   2      0.116  0.000  0.826     57.420  3.53
   3      0.835 -0.000  0.503     56.678  3.36
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #6 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.077  0.000  0.726     48.935  3.71   0.0      1     58.222/    58.222
   2      0.085  0.000  0.781     48.080  3.35   3.1      1     56.638/    56.638
   3      0.116  0.000  0.826     47.317  3.53   4.9      1     57.420/    57.420
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #7 of 175
   ---------------------------
   Ensemble helix_pdb Euler 245.86  28.83 133.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 7 sites over 67.5% of top
   7 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.693 -0.000  0.546     60.886  4.28
   2      0.701 -0.000  0.557     58.699  3.79
   3      0.724 -0.000  0.601     58.329  3.71
   #Sites = 7: output truncated to 3 sites

   Top 7 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #7 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.701 -0.000  0.557     50.691  3.79   0.0      2     58.699/    60.886
   2      0.044  0.000  0.768     48.949  3.58  25.2      1     57.759/    57.759
   3      0.724 -0.000  0.601     47.732  3.71   2.2      1     58.329/    58.329
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #8 of 175
   ---------------------------
   Ensemble helix_pdb Euler 310.76  41.51 152.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 7 sites over 67.5% of top
   7 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.221 -0.000  0.821     57.632  3.70
   2      0.213  0.000  0.810     57.083  3.57
   3      0.151  0.000  0.810     56.670  3.48
   #Sites = 7: output truncated to 3 sites

   Top 7 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #8 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.221 -0.000  0.821     49.204  3.70   0.0      2     57.632/    57.632
   2      0.151  0.000  0.810     48.553  3.48   6.1      1     56.670/    56.670
   3      0.096  0.000  0.699     48.406  3.36   8.8      1     56.174/    56.174
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #9 of 175
   ---------------------------
   Ensemble helix_pdb Euler 330.75  38.28 140.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.124 -0.000  0.892     58.092  3.69
   2      0.843 -0.000  0.669     56.858  3.42
   3      0.812 -0.000  0.614     56.848  3.42
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #9 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.843 -0.000  0.669     47.048  3.42   0.0      1     56.858/    56.858
   2      0.124 -0.000  0.892     46.756  3.69  20.0      1     58.092/    58.092
   3      0.812 -0.000  0.614     46.289  3.42   2.8      1     56.848/    56.848
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #10 of 175
   ----------------------------
   Ensemble helix_pdb Euler 319.26  43.98 153.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.218 -0.000  0.821     58.136  4.08
   2      0.124  0.000  0.765     57.424  3.91
   3      0.093  0.000  0.698     56.714  3.74
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #10 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.124  0.000  0.765     48.993  3.91   0.0      1     57.424/    57.424
   2      0.218 -0.000  0.821     48.991  4.08   6.9      1     58.136/    58.136
   3      0.093  0.000  0.698     48.452  3.74   3.2      1     56.714/    56.714
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #11 of 175
   ----------------------------
   Ensemble helix_pdb Euler  63.19  40.04 170.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.173 -0.000  0.797     56.494  3.84
   2      0.212 -0.000  0.908     55.389  3.58

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #11 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.173 -0.000  0.797     47.376  3.84   0.0      1     56.494/    56.494
   2      0.212 -0.000  0.908     44.741  3.58   5.5      1     55.389/    55.389

   SET #1 of 1 TRIAL #12 of 175
   ----------------------------
   Ensemble helix_pdb Euler 307.83  37.55 145.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 11 sites over 67.5% of top
   11 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.777 -0.000  0.819     62.038  4.39
   2      0.207 -0.000  0.930     59.212  3.83
   3      0.230  0.000  0.485     58.558  3.70
   #Sites = 11: output truncated to 3 sites

   Top 11 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #12 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.777 -0.000  0.819     49.582  4.39   0.0      1     62.038/    62.038
   2      0.230  0.000  0.485     48.220  3.70  18.9      1     58.558/    58.558
   3      0.738 -0.000  0.496     46.870  3.39  18.3      1     56.980/    56.980
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #13 of 175
   ----------------------------
   Ensemble helix_pdb Euler  13.62  39.03 148.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.953 -0.000  0.782     60.718  4.78

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #13 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.953 -0.000  0.782     51.666  4.78   0.0      1     60.718/    60.718

   SET #1 of 1 TRIAL #14 of 175
   ----------------------------
   Ensemble helix_pdb Euler   4.29  40.94 145.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.905  0.000  0.728     57.198  4.26

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #14 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.905  0.000  0.728     49.223  4.26   0.0      1     57.198/    57.198

   SET #1 of 1 TRIAL #15 of 175
   ----------------------------
   Ensemble helix_pdb Euler 334.84  42.06 156.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.136 -0.000  0.485     59.404  4.24
   2      0.136 -0.000  0.707     57.299  3.79
   3      0.769  0.000  0.874     56.277  3.57
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #15 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.136 -0.000  0.485     48.344  4.24   0.0      1     59.404/    59.404
   2      0.136 -0.000  0.707     46.604  3.79  14.1      1     57.299/    57.299
   3      0.832  0.000  0.874     45.806  3.51  24.8      1     56.022/    56.022
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #16 of 175
   ----------------------------
   Ensemble helix_pdb Euler 299.65  36.97 144.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.222  0.000  0.487     59.413  3.98
   2      0.199 -0.000  0.931     58.622  3.82
   3      0.769  0.000  0.820     58.450  3.79
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #16 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.222  0.000  0.487     48.646  3.98   0.0      1     59.413/    59.413
   2      0.167  0.000  0.876     44.963  3.45  27.5      1     56.811/    56.811
   3      0.199 -0.000  0.931     44.942  3.82  29.7      1     58.622/    58.622
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #17 of 175
   ----------------------------
   Ensemble helix_pdb Euler 142.97  23.82 183.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #18 of 175
   ----------------------------
   Ensemble helix_pdb Euler 314.48  36.59 138.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.755 -0.000  0.552     57.003  3.68
   2      0.215 -0.000  0.941     56.833  3.64
   3      0.036 -0.000  0.607     55.156  3.30
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #18 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.755 -0.000  0.552     46.204  3.68   0.0      1     57.003/    57.003
   2      0.215 -0.000  0.941     46.008  3.64  32.6      1     56.833/    56.833
   3      0.036 -0.000  0.607     43.323  3.30  23.8      1     55.156/    55.156
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #19 of 175
   ----------------------------
   Ensemble helix_pdb Euler 287.28  29.80 138.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.195  0.000  0.936     57.153  3.73
   2      0.742 -0.000  0.558     57.041  3.71
   3      0.031 -0.000  0.881     55.784  3.46
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #19 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.195  0.000  0.936     45.278  3.73   0.0      1     57.153/    57.153
   2      0.742 -0.000  0.558     45.222  3.71  32.1      1     57.041/    57.041
   3      0.031 -0.000  0.881     44.505  3.46  13.1      1     55.784/    55.784
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #20 of 175
   ----------------------------
   Ensemble helix_pdb Euler 242.02  19.30 140.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.756 -0.000  0.672     57.698  4.37

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #20 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.756 -0.000  0.672     48.629  4.37   0.0      1     57.698/    57.698

   SET #1 of 1 TRIAL #21 of 175
   ----------------------------
   Ensemble helix_pdb Euler   8.48  39.09 169.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.158 -0.000  0.497     54.719  3.64

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #21 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.158 -0.000  0.497     45.628  3.64   0.0      1     54.719/    54.719

   SET #1 of 1 TRIAL #22 of 175
   ----------------------------
   Ensemble helix_pdb Euler  18.28  35.28 178.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.248  0.000  0.796     54.879  4.00

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #22 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.248  0.000  0.796     46.753  4.00   0.0      1     54.879/    54.879

   SET #1 of 1 TRIAL #23 of 175
   ----------------------------
   Ensemble helix_pdb Euler 207.15  21.33 158.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.816 -0.000  0.767     55.442  3.79
   2      0.753 -0.000  0.656     54.629  3.62

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #23 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.816 -0.000  0.767     46.914  3.79   0.0      1     55.442/    55.442
   2      0.753 -0.000  0.656     45.835  3.62   5.5      1     54.629/    54.629

   SET #1 of 1 TRIAL #24 of 175
   ----------------------------
   Ensemble helix_pdb Euler  47.05  40.84 168.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.121 -0.000  0.951     54.710  3.69

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #24 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.121 -0.000  0.951     44.764  3.69   0.0      1     54.710/    54.710

   SET #1 of 1 TRIAL #25 of 175
   ----------------------------
   Ensemble helix_pdb Euler 170.71  21.50 174.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #26 of 175
   ----------------------------
   Ensemble helix_pdb Euler 137.40  28.90 179.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.796 -0.000  0.673     57.304  4.47

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #26 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.796 -0.000  0.673     48.834  4.47   0.0      1     57.304/    57.304

   SET #1 of 1 TRIAL #27 of 175
   ----------------------------
   Ensemble helix_pdb Euler  36.91  40.96 157.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #28 of 175
   ----------------------------
   Ensemble helix_pdb Euler  91.10  26.62 178.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.780 -0.000  0.611     56.334  3.84
   2      0.882 -0.000  0.556     55.062  3.58
   3      0.820 -0.000  0.556     54.788  3.53
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #28 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.780 -0.000  0.611     45.007  3.84   0.0      1     56.334/    56.334
   2      0.882 -0.000  0.556     43.204  3.58  12.0      1     55.062/    55.062
   3      0.820 -0.000  0.556     41.997  3.53   6.5      1     54.788/    54.788
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #29 of 175
   ----------------------------
   Ensemble helix_pdb Euler 236.33  27.73 133.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.692  0.000  0.547     54.982  4.09

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #29 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.692  0.000  0.547     45.271  4.09   0.0      1     54.982/    54.982

   SET #1 of 1 TRIAL #30 of 175
   ----------------------------
   Ensemble helix_pdb Euler 264.28  24.51 144.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 3 sites over 67.5% of top
   3 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.807 -0.000  0.664     55.457  3.84
   2      0.050 -0.000  0.664     54.835  3.72
   3      0.831 -0.000  0.719     54.580  3.66

   Top 3 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #30 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.807 -0.000  0.664     46.156  3.84   0.0      1     55.457/    55.457
   2      0.831 -0.000  0.719     44.404  3.66   2.7      1     54.580/    54.580
   3      0.050 -0.000  0.664     43.632  3.72  22.4      1     54.835/    54.835

   SET #1 of 1 TRIAL #31 of 175
   ----------------------------
   Ensemble helix_pdb Euler 182.09  20.90 172.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #32 of 175
   ----------------------------
   Ensemble helix_pdb Euler 234.05  22.83 148.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.775 -0.000  0.655     54.538  3.71

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #32 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.775 -0.000  0.655     44.461  3.71   0.0      1     54.538/    54.538

   SET #1 of 1 TRIAL #33 of 175
   ----------------------------
   Ensemble helix_pdb Euler  72.89  37.65 169.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.176  0.000  0.798     54.542  3.80

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #33 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.176  0.000  0.798     45.369  3.80   0.0      1     54.542/    54.542

   SET #1 of 1 TRIAL #34 of 175
   ----------------------------
   Ensemble helix_pdb Euler 262.08  29.24 136.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.868  0.000  0.607     54.815  3.71

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #34 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.868  0.000  0.607     43.324  3.71   0.0      1     54.815/    54.815

   SET #1 of 1 TRIAL #35 of 175
   ----------------------------
   Ensemble helix_pdb Euler 354.37  39.74 167.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.878  0.000  0.663     55.348  4.13
   2      0.222 -0.000  0.885     54.214  3.87

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #35 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.878  0.000  0.663     47.227  4.13   0.0      1     55.348/    55.348
   2      0.222 -0.000  0.885     45.614  3.87  25.1      1     54.214/    54.214

   SET #1 of 1 TRIAL #36 of 175
   ----------------------------
   Ensemble helix_pdb Euler 104.51  28.10 184.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.094 -0.000  0.780     54.605  4.04

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #36 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.094 -0.000  0.780     43.829  4.04   0.0      1     54.605/    54.605

   SET #1 of 1 TRIAL #37 of 175
   ----------------------------
   Ensemble helix_pdb Euler  38.99  41.21 167.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #38 of 175
   ----------------------------
   Ensemble helix_pdb Euler 209.65  24.65 136.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.135 -0.000  0.928     55.062  4.29

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #38 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.135 -0.000  0.928     45.752  4.29   0.0      1     55.062/    55.062

   SET #1 of 1 TRIAL #39 of 175
   ----------------------------
   Ensemble helix_pdb Euler 338.06  44.86 164.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #40 of 175
   ----------------------------
   Ensemble helix_pdb Euler 306.43  35.72 136.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.745  0.000  0.554     56.428  3.99

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #40 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.745  0.000  0.554     44.675  3.99   0.0      1     56.428/    56.428

   SET #1 of 1 TRIAL #41 of 175
   ----------------------------
   Ensemble helix_pdb Euler  54.03  42.52 171.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #42 of 175
   ----------------------------
   Ensemble helix_pdb Euler 289.37  33.97 135.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #43 of 175
   ----------------------------
   Ensemble helix_pdb Euler 224.36  25.72 136.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #44 of 175
   ----------------------------
   Ensemble helix_pdb Euler 206.24  27.81 147.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #45 of 175
   ----------------------------
   Ensemble helix_pdb Euler  76.77  24.33 174.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #46 of 175
   ----------------------------
   Ensemble helix_pdb Euler 268.97  28.23 139.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.826 -0.000  0.994     56.413  4.16
   2      0.881 -0.000  0.605     53.878  3.66

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #46 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.826 -0.000  0.994     44.047  4.16   0.0      1     56.413/    56.413
   2      0.881 -0.000  0.605     41.107  3.66  28.2      1     53.878/    53.878

   SET #1 of 1 TRIAL #47 of 175
   ----------------------------
   Ensemble helix_pdb Euler  21.64  36.35 153.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #48 of 175
   ----------------------------
   Ensemble helix_pdb Euler 325.91  37.44 156.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.246 -0.000  0.932     58.652  4.75
   2      0.215 -0.000  0.876     55.163  4.03

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #48 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.246 -0.000  0.932     47.946  4.75   0.0      1     58.652/    58.652
   2      0.215 -0.000  0.876     45.501  4.03   2.8      1     55.163/    55.163

   SET #1 of 1 TRIAL #49 of 175
   ----------------------------
   Ensemble helix_pdb Euler  43.72  35.01 181.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.801 -0.000  0.588     54.424  4.30

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #49 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.801 -0.000  0.588     45.324  4.30   0.0      1     54.424/    54.424

   SET #1 of 1 TRIAL #50 of 175
   ----------------------------
   Ensemble helix_pdb Euler 250.83  22.21 149.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.796 -0.000  0.656     57.806  4.88
   2      0.773  0.000  0.611     54.745  4.21

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #50 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.796 -0.000  0.656     48.769  4.88   0.0      1     57.806/    57.806
   2      0.773  0.000  0.611     45.326  4.21   2.2      1     54.745/    54.745

   SET #1 of 1 TRIAL #51 of 175
   ----------------------------
   Ensemble helix_pdb Euler 301.82  39.03 152.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.154 -0.000  0.811     58.040  5.07

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #51 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.154 -0.000  0.811     49.968  5.07   0.0      1     58.040/    58.040

   SET #1 of 1 TRIAL #52 of 175
   ----------------------------
   Ensemble helix_pdb Euler 125.04  28.98 150.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.803  0.000  0.548     53.732  3.92

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #52 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.803  0.000  0.548     44.003  3.92   0.0      1     53.732/    53.732

   SET #1 of 1 TRIAL #53 of 175
   ----------------------------
   Ensemble helix_pdb Euler  75.54  34.37 177.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.104  0.000  0.973     54.219  3.85
   2      0.159  0.000  0.807     54.192  3.85

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #53 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.159  0.000  0.807     42.560  3.85   0.0      1     54.192/    54.192
   2      0.104  0.000  0.973     41.898  3.85  14.4      1     54.219/    54.219

   SET #1 of 1 TRIAL #54 of 175
   ----------------------------
   Ensemble helix_pdb Euler 190.39  22.87 140.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.112 -0.000  0.872     54.366  4.52

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #54 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.112 -0.000  0.872     46.147  4.52   0.0      1     54.366/    54.366

   SET #1 of 1 TRIAL #55 of 175
   ----------------------------
   Ensemble helix_pdb Euler 150.25  21.64 162.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.858 -0.000  0.576     53.527  3.84

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #55 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.858 -0.000  0.576     41.866  3.84   0.0      1     53.527/    53.527

   SET #1 of 1 TRIAL #56 of 175
   ----------------------------
   Ensemble helix_pdb Euler   9.61  38.40 177.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #57 of 175
   ----------------------------
   Ensemble helix_pdb Euler 118.42  22.63 168.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #58 of 175
   ----------------------------
   Ensemble helix_pdb Euler  18.16  41.78 147.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.944  0.000  0.781     53.685  4.57

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #58 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.944  0.000  0.781     45.933  4.57   0.0      1     53.685/    53.685

   SET #1 of 1 TRIAL #59 of 175
   ----------------------------
   Ensemble helix_pdb Euler  81.18  37.21 170.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.115 -0.000  0.966     53.892  4.21

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #59 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.115 -0.000  0.966     44.654  4.21   0.0      1     53.892/    53.892

   SET #1 of 1 TRIAL #60 of 175
   ----------------------------
   Ensemble helix_pdb Euler 187.53  17.79 142.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #61 of 175
   ----------------------------
   Ensemble helix_pdb Euler 216.50  28.41 146.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #62 of 175
   ----------------------------
   Ensemble helix_pdb Euler  68.53  27.20 153.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.857 -0.000  0.540     54.057  4.16

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #62 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.857 -0.000  0.540     42.992  4.16   0.0      1     54.057/    54.057

   SET #1 of 1 TRIAL #63 of 175
   ----------------------------
   Ensemble helix_pdb Euler  97.48  23.40 171.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #64 of 175
   ----------------------------
   Ensemble helix_pdb Euler  86.17  34.18 153.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.282 -0.000  0.915     55.117  4.37

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #64 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.282 -0.000  0.915     44.145  4.37   0.0      1     55.117/    55.117

   SET #1 of 1 TRIAL #65 of 175
   ----------------------------
   Ensemble helix_pdb Euler  61.81  25.19 150.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #66 of 175
   ----------------------------
   Ensemble helix_pdb Euler 110.48  25.17 177.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #67 of 175
   ----------------------------
   Ensemble helix_pdb Euler   7.04  35.91 152.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #68 of 175
   ----------------------------
   Ensemble helix_pdb Euler 154.74  35.36 158.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #69 of 175
   ----------------------------
   Ensemble helix_pdb Euler 355.24  42.56 144.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #70 of 175
   ----------------------------
   Ensemble helix_pdb Euler  89.55  36.70 171.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #71 of 175
   ----------------------------
   Ensemble helix_pdb Euler 200.33  18.45 139.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #72 of 175
   ----------------------------
   Ensemble helix_pdb Euler 254.25  27.73 166.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #73 of 175
   ----------------------------
   Ensemble helix_pdb Euler 260.25  25.95 169.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #74 of 175
   ----------------------------
   Ensemble helix_pdb Euler  56.20  37.09 156.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.177 -0.000  0.732     53.856  4.40

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #74 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.177 -0.000  0.732     44.747  4.40   0.0      1     53.856/    53.856

   SET #1 of 1 TRIAL #75 of 175
   ----------------------------
   Ensemble helix_pdb Euler 223.51  22.47 150.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #76 of 175
   ----------------------------
   Ensemble helix_pdb Euler 188.05  25.49 167.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.719 -0.000  0.520     53.242  4.37

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #76 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.719 -0.000  0.520     45.875  4.37   0.0      1     53.242/    53.242

   SET #1 of 1 TRIAL #77 of 175
   ----------------------------
   Ensemble helix_pdb Euler   1.38  41.46 174.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #78 of 175
   ----------------------------
   Ensemble helix_pdb Euler 152.55  30.04 150.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #79 of 175
   ----------------------------
   Ensemble helix_pdb Euler 171.68  16.86 170.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #80 of 175
   ----------------------------
   Ensemble helix_pdb Euler 342.58  37.57 158.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.788  0.000  0.498     54.793  4.41

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #80 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.788  0.000  0.498     44.296  4.41   0.0      1     54.793/    54.793

   SET #1 of 1 TRIAL #81 of 175
   ----------------------------
   Ensemble helix_pdb Euler  67.20  35.10 176.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #82 of 175
   ----------------------------
   Ensemble helix_pdb Euler 138.41  28.85 146.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #83 of 175
   ----------------------------
   Ensemble helix_pdb Euler 158.23  17.58 174.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #84 of 175
   ----------------------------
   Ensemble helix_pdb Euler 119.80  27.80 146.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #85 of 175
   ----------------------------
   Ensemble helix_pdb Euler 349.05  39.80 150.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #86 of 175
   ----------------------------
   Ensemble helix_pdb Euler 284.14  25.68 143.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #87 of 175
   ----------------------------
   Ensemble helix_pdb Euler  78.07  27.45 152.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #88 of 175
   ----------------------------
   Ensemble helix_pdb Euler 350.83  44.44 159.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #89 of 175
   ----------------------------
   Ensemble helix_pdb Euler   9.26  30.05 168.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #90 of 175
   ----------------------------
   Ensemble helix_pdb Euler  42.56  32.81 151.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #91 of 175
   ----------------------------
   Ensemble helix_pdb Euler 136.10  16.23 158.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #92 of 175
   ----------------------------
   Ensemble helix_pdb Euler 170.10  30.70 141.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #93 of 175
   ----------------------------
   Ensemble helix_pdb Euler 338.81  41.23 141.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #94 of 175
   ----------------------------
   Ensemble helix_pdb Euler 226.10  28.67 167.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #95 of 175
   ----------------------------
   Ensemble helix_pdb Euler  49.30  26.78 154.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #96 of 175
   ----------------------------
   Ensemble helix_pdb Euler 260.23  37.25 135.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #97 of 175
   ----------------------------
   Ensemble helix_pdb Euler 110.71  28.50 188.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #98 of 175
   ----------------------------
   Ensemble helix_pdb Euler 304.10  28.67 161.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #99 of 175
   ----------------------------
   Ensemble helix_pdb Euler 124.16  23.21 171.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #100 of 175
   -----------------------------
   Ensemble helix_pdb Euler  60.44  33.02 183.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #101 of 175
   -----------------------------
   Ensemble helix_pdb Euler  19.87  43.76 151.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #102 of 175
   -----------------------------
   Ensemble helix_pdb Euler 311.90  26.45 162.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #103 of 175
   -----------------------------
   Ensemble helix_pdb Euler  50.75  44.92 163.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #104 of 175
   -----------------------------
   Ensemble helix_pdb Euler 201.89  28.36 141.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #105 of 175
   -----------------------------
   Ensemble helix_pdb Euler 293.61  38.76 151.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.147 -0.000  0.812     55.233  5.06

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #105 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.147 -0.000  0.812     46.648  5.06   0.0      1     55.233/    55.233

   SET #1 of 1 TRIAL #106 of 175
   -----------------------------
   Ensemble helix_pdb Euler  67.12  25.03 174.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #107 of 175
   -----------------------------
   Ensemble helix_pdb Euler 139.50  30.14 154.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.205 -0.000  0.877     54.147  4.36

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #107 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.205 -0.000  0.877     44.611  4.36   0.0      1     54.147/    54.147

   SET #1 of 1 TRIAL #108 of 175
   -----------------------------
   Ensemble helix_pdb Euler  94.86  34.47 153.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #109 of 175
   -----------------------------
   Ensemble helix_pdb Euler 253.29  30.34 146.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #110 of 175
   -----------------------------
   Ensemble helix_pdb Euler 161.11  21.58 160.99 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #111 of 175
   -----------------------------
   Ensemble helix_pdb Euler 160.97  29.98 141.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #112 of 175
   -----------------------------
   Ensemble helix_pdb Euler 316.81  32.12 167.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #113 of 175
   -----------------------------
   Ensemble helix_pdb Euler  95.90  37.76 175.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #114 of 175
   -----------------------------
   Ensemble helix_pdb Euler 218.04  20.89 130.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #115 of 175
   -----------------------------
   Ensemble helix_pdb Euler 340.03  32.18 141.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #116 of 175
   -----------------------------
   Ensemble helix_pdb Euler 290.39  33.10 166.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #117 of 175
   -----------------------------
   Ensemble helix_pdb Euler  26.52  33.68 170.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #118 of 175
   -----------------------------
   Ensemble helix_pdb Euler 194.79  32.13 146.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #119 of 175
   -----------------------------
   Ensemble helix_pdb Euler 353.58  30.67 168.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #120 of 175
   -----------------------------
   Ensemble helix_pdb Euler 144.54  34.20 148.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #121 of 175
   -----------------------------
   Ensemble helix_pdb Euler 331.39  26.27 160.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #122 of 175
   -----------------------------
   Ensemble helix_pdb Euler 170.79  30.76 150.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #123 of 175
   -----------------------------
   Ensemble helix_pdb Euler 322.82  28.56 160.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #124 of 175
   -----------------------------
   Ensemble helix_pdb Euler 331.02  25.47 151.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #125 of 175
   -----------------------------
   Ensemble helix_pdb Euler 130.31  29.98 154.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.214 -0.000  0.877     53.835  4.44

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #125 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.214 -0.000  0.877     43.542  4.44   0.0      1     53.835/    53.835

   SET #1 of 1 TRIAL #126 of 175
   -----------------------------
   Ensemble helix_pdb Euler 231.17  27.28 171.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #127 of 175
   -----------------------------
   Ensemble helix_pdb Euler 327.44  46.37 154.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #128 of 175
   -----------------------------
   Ensemble helix_pdb Euler 357.92  33.63 142.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #129 of 175
   -----------------------------
   Ensemble helix_pdb Euler 281.57  33.45 166.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #130 of 175
   -----------------------------
   Ensemble helix_pdb Euler  46.89  28.60 167.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #131 of 175
   -----------------------------
   Ensemble helix_pdb Euler  65.08  29.91 146.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #132 of 175
   -----------------------------
   Ensemble helix_pdb Euler 248.33  29.35 162.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #133 of 175
   -----------------------------
   Ensemble helix_pdb Euler 177.08  30.63 164.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #134 of 175
   -----------------------------
   Ensemble helix_pdb Euler 105.00  25.77 143.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #135 of 175
   -----------------------------
   Ensemble helix_pdb Euler  95.22  25.15 143.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #136 of 175
   -----------------------------
   Ensemble helix_pdb Euler  18.43  45.09 157.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #137 of 175
   -----------------------------
   Ensemble helix_pdb Euler   7.57  37.53 160.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #138 of 175
   -----------------------------
   Ensemble helix_pdb Euler 198.77  25.17 166.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #139 of 175
   -----------------------------
   Ensemble helix_pdb Euler 166.26  21.74 165.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #140 of 175
   -----------------------------
   Ensemble helix_pdb Euler 192.58  30.30 164.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #141 of 175
   -----------------------------
   Ensemble helix_pdb Euler  72.90  36.76 146.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #142 of 175
   -----------------------------
   Ensemble helix_pdb Euler 336.11  35.89 166.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #143 of 175
   -----------------------------
   Ensemble helix_pdb Euler 146.95  17.14 166.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #144 of 175
   -----------------------------
   Ensemble helix_pdb Euler  68.74  31.99 184.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #145 of 175
   -----------------------------
   Ensemble helix_pdb Euler 285.34  38.39 150.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #146 of 175
   -----------------------------
   Ensemble helix_pdb Euler 221.47  32.70 151.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #147 of 175
   -----------------------------
   Ensemble helix_pdb Euler 240.92  26.84 170.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #148 of 175
   -----------------------------
   Ensemble helix_pdb Euler 204.04  32.65 147.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #149 of 175
   -----------------------------
   Ensemble helix_pdb Euler 114.54  26.45 142.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #150 of 175
   -----------------------------
   Ensemble helix_pdb Euler 189.24  22.05 150.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #151 of 175
   -----------------------------
   Ensemble helix_pdb Euler 253.47  26.06 125.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #152 of 175
   -----------------------------
   Ensemble helix_pdb Euler 176.11  30.88 154.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #153 of 175
   -----------------------------
   Ensemble helix_pdb Euler 155.76  31.37 167.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #154 of 175
   -----------------------------
   Ensemble helix_pdb Euler 228.39  26.70 154.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #155 of 175
   -----------------------------
   Ensemble helix_pdb Euler  30.36  24.91 165.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #156 of 175
   -----------------------------
   Ensemble helix_pdb Euler  10.68  27.05 148.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #157 of 175
   -----------------------------
   Ensemble helix_pdb Euler 238.45  34.59 163.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #158 of 175
   -----------------------------
   Ensemble helix_pdb Euler 332.26  34.52 149.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #159 of 175
   -----------------------------
   Ensemble helix_pdb Euler 111.97  29.65 155.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.805  0.000  0.544     53.352  4.58

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #159 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.805  0.000  0.544     42.028  4.58   0.0      1     53.352/    53.352

   SET #1 of 1 TRIAL #160 of 175
   -----------------------------
   Ensemble helix_pdb Euler  66.88  34.65 143.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #161 of 175
   -----------------------------
   Ensemble helix_pdb Euler 218.55  18.16 145.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #162 of 175
   -----------------------------
   Ensemble helix_pdb Euler 303.73  26.97 141.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #163 of 175
   -----------------------------
   Ensemble helix_pdb Euler  47.86  26.40 175.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #164 of 175
   -----------------------------
   Ensemble helix_pdb Euler 320.95  40.76 162.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #165 of 175
   -----------------------------
   Ensemble helix_pdb Euler  30.96  41.46 165.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #166 of 175
   -----------------------------
   Ensemble helix_pdb Euler  89.72  37.80 148.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #167 of 175
   -----------------------------
   Ensemble helix_pdb Euler 153.77  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #168 of 175
   -----------------------------
   Ensemble helix_pdb Euler 278.38  39.98 147.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #169 of 175
   -----------------------------
   Ensemble helix_pdb Euler  24.16  35.21 146.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #170 of 175
   -----------------------------
   Ensemble helix_pdb Euler 179.38  35.69 151.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #171 of 175
   -----------------------------
   Ensemble helix_pdb Euler 209.83  31.58 154.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #172 of 175
   -----------------------------
   Ensemble helix_pdb Euler 358.88  42.10 160.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #173 of 175
   -----------------------------
   Ensemble helix_pdb Euler  86.45  30.10 184.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #174 of 175
   -----------------------------
   Ensemble helix_pdb Euler 350.93  35.33 159.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #175 of 175
   -----------------------------
   Ensemble helix_pdb Euler 224.30  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

-------------------------
DEEP TRANSLATION FUNCTION
-------------------------

   Best TFZ is NOT over Z-score cutoff for definite solution (8.00)
   Search deep in trial orientation list

---------------------------------
DEEP TRANSLATION FUNCTION #1 OF 1
---------------------------------

   221 trial orientations in deep search

   SOLU SET 
   SOLU SPAC C 1 2 1
   SOLU TRIAL ENSEMBLE helix_pdb EULER   35.719   33.639  180.082 RF   43.4 RFZ  4.73

   SOLU TRIAL ENSEMBLE helix_pdb EULER  132.641   24.827  184.107 RF   42.7 RFZ  4.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  263.507   21.063  136.319 RF   42.3 RFZ  4.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  272.164   32.060  134.563 RF   42.0 RFZ  4.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.749   32.036  139.851 RF   41.8 RFZ  4.59

   SOLU TRIAL ENSEMBLE helix_pdb EULER  118.948   30.667  179.407 RF   41.5 RFZ  4.56

   SOLU TRIAL ENSEMBLE helix_pdb EULER  245.858   28.828  133.291 RF   41.5 RFZ  4.56

   SOLU TRIAL ENSEMBLE helix_pdb EULER  310.755   41.514  152.542 RF   41.4 RFZ  4.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.746   38.279  140.515 RF   40.5 RFZ  4.47

   SOLU TRIAL ENSEMBLE helix_pdb EULER  319.263   43.985  153.033 RF   40.5 RFZ  4.47

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.190   40.042  170.819 RF   39.8 RFZ  4.41

   SOLU TRIAL ENSEMBLE helix_pdb EULER  307.829   37.553  145.582 RF   39.7 RFZ  4.40

   SOLU TRIAL ENSEMBLE helix_pdb EULER   13.623   39.029  148.104 RF   39.7 RFZ  4.40

   SOLU TRIAL ENSEMBLE helix_pdb EULER    4.287   40.941  145.691 RF   39.5 RFZ  4.38

   SOLU TRIAL ENSEMBLE helix_pdb EULER  334.838   42.063  156.504 RF   39.4 RFZ  4.38

   SOLU TRIAL ENSEMBLE helix_pdb EULER  299.649   36.975  144.511 RF   39.3 RFZ  4.37

   SOLU TRIAL ENSEMBLE helix_pdb EULER  142.974   23.822  183.037 RF   39.1 RFZ  4.35

   SOLU TRIAL ENSEMBLE helix_pdb EULER  314.478   36.594  138.184 RF   38.7 RFZ  4.31

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.284   29.802  138.921 RF   38.7 RFZ  4.31

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.019   19.301  140.059 RF   38.7 RFZ  4.31

   SOLU TRIAL ENSEMBLE helix_pdb EULER    8.481   39.091  169.421 RF   38.6 RFZ  4.30

   SOLU TRIAL ENSEMBLE helix_pdb EULER   18.278   35.284  178.634 RF   38.5 RFZ  4.29

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.146   21.334  158.019 RF   38.5 RFZ  4.29

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.053   40.839  168.333 RF   38.2 RFZ  4.26

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.705   21.496  174.199 RF   37.7 RFZ  4.23

   SOLU TRIAL ENSEMBLE helix_pdb EULER  137.402   28.896  179.278 RF   37.6 RFZ  4.21

   SOLU TRIAL ENSEMBLE helix_pdb EULER   36.907   40.964  157.906 RF   37.5 RFZ  4.21

   SOLU TRIAL ENSEMBLE helix_pdb EULER   91.095   26.623  178.792 RF   37.5 RFZ  4.21

   SOLU TRIAL ENSEMBLE helix_pdb EULER  236.330   27.734  133.484 RF   37.4 RFZ  4.20

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.275   24.509  144.981 RF   37.4 RFZ  4.20

   SOLU TRIAL ENSEMBLE helix_pdb EULER  182.089   20.902  172.180 RF   37.3 RFZ  4.19

   SOLU TRIAL ENSEMBLE helix_pdb EULER  234.049   22.834  148.435 RF   37.0 RFZ  4.16

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.886   37.648  169.781 RF   37.0 RFZ  4.16

   SOLU TRIAL ENSEMBLE helix_pdb EULER  262.077   29.241  136.269 RF   36.8 RFZ  4.14

   SOLU TRIAL ENSEMBLE helix_pdb EULER  354.368   39.739  167.493 RF   36.8 RFZ  4.14

   SOLU TRIAL ENSEMBLE helix_pdb EULER  104.510   28.102  184.919 RF   36.7 RFZ  4.14

   SOLU TRIAL ENSEMBLE helix_pdb EULER   38.988   41.208  167.085 RF   36.6 RFZ  4.13

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.646   24.651  136.011 RF   36.6 RFZ  4.13

   SOLU TRIAL ENSEMBLE helix_pdb EULER  338.057   44.857  164.269 RF   36.6 RFZ  4.12

   SOLU TRIAL ENSEMBLE helix_pdb EULER  306.433   35.716  136.967 RF   36.4 RFZ  4.11

   SOLU TRIAL ENSEMBLE helix_pdb EULER   54.028   42.521  171.211 RF   36.3 RFZ  4.10

   SOLU TRIAL ENSEMBLE helix_pdb EULER  289.372   33.970  135.660 RF   36.2 RFZ  4.09

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.363   25.720  136.983 RF   36.1 RFZ  4.08

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.242   27.811  147.025 RF   36.0 RFZ  4.08

   SOLU TRIAL ENSEMBLE helix_pdb EULER   76.772   24.334  174.071 RF   35.9 RFZ  4.07

   SOLU TRIAL ENSEMBLE helix_pdb EULER  268.973   28.226  139.176 RF   35.9 RFZ  4.07

   SOLU TRIAL ENSEMBLE helix_pdb EULER   21.642   36.352  153.484 RF   35.9 RFZ  4.06

   SOLU TRIAL ENSEMBLE helix_pdb EULER  325.907   37.435  156.554 RF   35.9 RFZ  4.06

   SOLU TRIAL ENSEMBLE helix_pdb EULER   43.722   35.008  181.795 RF   35.8 RFZ  4.05

   SOLU TRIAL ENSEMBLE helix_pdb EULER  250.832   22.213  149.945 RF   35.7 RFZ  4.05

   SOLU TRIAL ENSEMBLE helix_pdb EULER  301.823   39.034  152.603 RF   35.7 RFZ  4.04

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   35.5 RFZ  4.03

   SOLU TRIAL ENSEMBLE helix_pdb EULER   75.543   34.372  177.065 RF   35.5 RFZ  4.02

   SOLU TRIAL ENSEMBLE helix_pdb EULER  190.390   22.865  140.172 RF   35.3 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_pdb EULER  150.253   21.643  162.967 RF   35.3 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.610   38.398  177.533 RF   35.3 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_pdb EULER  118.421   22.627  168.115 RF   35.3 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_pdb EULER   18.159   41.784  147.938 RF   35.3 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.176   37.213  170.720 RF   35.2 RFZ  4.00

   SOLU TRIAL ENSEMBLE helix_pdb EULER  187.525   17.786  142.755 RF   35.2 RFZ  4.00

   SOLU TRIAL ENSEMBLE helix_pdb EULER  216.502   28.412  146.594 RF   35.2 RFZ  4.00

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   34.9 RFZ  3.97

   SOLU TRIAL ENSEMBLE helix_pdb EULER   97.481   23.397  171.231 RF   34.9 RFZ  3.97

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   34.8 RFZ  3.97

   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   34.7 RFZ  3.96

   SOLU TRIAL ENSEMBLE helix_pdb EULER  110.476   25.172  177.354 RF   34.7 RFZ  3.96

   SOLU TRIAL ENSEMBLE helix_pdb EULER    7.035   35.908  152.205 RF   34.7 RFZ  3.96

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   34.7 RFZ  3.95

   SOLU TRIAL ENSEMBLE helix_pdb EULER  355.239   42.563  144.475 RF   34.5 RFZ  3.94

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.550   36.699  171.553 RF   34.5 RFZ  3.94

   SOLU TRIAL ENSEMBLE helix_pdb EULER  200.327   18.447  139.629 RF   34.4 RFZ  3.93

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   34.4 RFZ  3.93

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   34.3 RFZ  3.92

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.201   37.089  156.639 RF   34.3 RFZ  3.92

   SOLU TRIAL ENSEMBLE helix_pdb EULER  223.509   22.470  150.081 RF   34.3 RFZ  3.92

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.048   25.491  167.764 RF   34.2 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.380   41.457  174.207 RF   34.2 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   34.1 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER  171.684   16.855  170.822 RF   34.1 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER  342.580   37.567  158.308 RF   34.1 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER   67.196   35.100  176.231 RF   34.1 RFZ  3.90

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   34.0 RFZ  3.89

   SOLU TRIAL ENSEMBLE helix_pdb EULER  158.230   17.581  174.638 RF   33.9 RFZ  3.89

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   33.9 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER  349.048   39.802  150.843 RF   33.9 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER  284.136   25.681  143.005 RF   33.8 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER   78.074   27.449  152.716 RF   33.8 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.831   44.441  159.168 RF   33.8 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.257   30.048  168.017 RF   33.8 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   33.7 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.095   16.234  158.489 RF   33.7 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   33.6 RFZ  3.86

   SOLU TRIAL ENSEMBLE helix_pdb EULER  338.810   41.231  141.580 RF   33.6 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   33.5 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_pdb EULER   49.297   26.781  154.576 RF   33.5 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.230   37.252  135.850 RF   33.5 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_pdb EULER  110.714   28.500  188.868 RF   33.5 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.102   28.670  161.029 RF   33.4 RFZ  3.84

   SOLU TRIAL ENSEMBLE helix_pdb EULER  124.161   23.210  171.923 RF   33.4 RFZ  3.84

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.443   33.020  183.482 RF   33.4 RFZ  3.84

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.874   43.759  151.347 RF   33.3 RFZ  3.83

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   33.3 RFZ  3.83

   SOLU TRIAL ENSEMBLE helix_pdb EULER   50.753   44.918  163.751 RF   33.3 RFZ  3.83

   SOLU TRIAL ENSEMBLE helix_pdb EULER  201.891   28.362  141.555 RF   33.2 RFZ  3.83

   SOLU TRIAL ENSEMBLE helix_pdb EULER  293.608   38.759  151.547 RF   33.1 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER   67.116   25.032  174.740 RF   33.1 RFZ  3.81

   SOLU TRIAL ENSEMBLE helix_pdb EULER  139.502   30.142  154.811 RF   33.0 RFZ  3.81

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   33.0 RFZ  3.81

   SOLU TRIAL ENSEMBLE helix_pdb EULER  253.287   30.342  146.391 RF   33.0 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  161.110   21.575  160.991 RF   33.0 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   32.9 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   32.9 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.895   37.760  175.243 RF   32.9 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  218.043   20.890  130.003 RF   32.9 RFZ  3.79

   SOLU TRIAL ENSEMBLE helix_pdb EULER  340.034   32.178  141.239 RF   32.8 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   32.7 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER   26.516   33.683  170.150 RF   32.7 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.791   32.132  146.853 RF   32.7 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  353.579   30.665  168.047 RF   32.6 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   32.6 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.390   26.272  160.820 RF   32.5 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.791   30.761  150.363 RF   32.5 RFZ  3.76

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   32.4 RFZ  3.75

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   32.3 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.306   29.978  154.977 RF   32.3 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   32.0 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER  327.436   46.372  154.002 RF   32.0 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER  357.916   33.625  142.165 RF   32.0 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   31.9 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER   46.892   28.603  167.417 RF   31.8 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   31.8 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   31.8 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_pdb EULER  177.081   30.634  164.104 RF   31.7 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   31.7 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   31.6 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER   18.429   45.087  157.304 RF   31.6 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER    7.575   37.533  160.953 RF   31.6 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  198.769   25.167  166.840 RF   31.5 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  166.265   21.735  165.544 RF   31.5 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.581   30.297  164.048 RF   31.5 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   31.5 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  336.110   35.890  166.557 RF   31.5 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  146.950   17.142  166.308 RF   31.4 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.739   31.985  184.348 RF   31.4 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.341   38.390  150.559 RF   31.4 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.474   32.698  151.429 RF   31.4 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   31.4 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.036   32.648  147.192 RF   31.3 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   31.1 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  189.240   22.051  150.334 RF   31.1 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  253.473   26.057  125.285 RF   31.1 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.110   30.878  154.447 RF   31.0 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.762   31.367  167.872 RF   31.0 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  228.391   26.699  154.562 RF   31.0 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   31.0 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   31.0 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   30.9 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.256   34.524  149.387 RF   30.9 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.974   29.645  155.250 RF   30.9 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   30.8 RFZ  3.61

   SOLU TRIAL ENSEMBLE helix_pdb EULER  218.547   18.161  145.862 RF   30.8 RFZ  3.61

   SOLU TRIAL ENSEMBLE helix_pdb EULER  303.734   26.969  141.347 RF   30.7 RFZ  3.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.864   26.397  175.935 RF   30.6 RFZ  3.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER  320.955   40.762  162.779 RF   30.6 RFZ  3.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.962   41.460  165.780 RF   30.6 RFZ  3.59

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   30.6 RFZ  3.59

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.768   30.768  159.195 RF   30.5 RFZ  3.59

   SOLU TRIAL ENSEMBLE helix_pdb EULER  278.380   39.979  147.563 RF   30.4 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_pdb EULER   24.159   35.208  146.586 RF   30.4 RFZ  3.57

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   30.3 RFZ  3.57

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.828   31.579  154.758 RF   30.2 RFZ  3.56

   SOLU TRIAL ENSEMBLE helix_pdb EULER  358.877   42.099  160.512 RF   30.2 RFZ  3.56

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.453   30.103  184.838 RF   30.2 RFZ  3.56

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.928   35.326  159.192 RF   30.1 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.296   30.768  159.195 RF   30.1 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.844   29.075  162.258 RF   30.1 RFZ  3.55 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.785   35.143  156.723 RF   30.0 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   30.0 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  233.342   30.768  159.195 RF   30.0 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   30.0 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   29.9 RFZ  3.53 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.220   27.248  131.429 RF   29.8 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.946   24.365  161.788 RF   29.8 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  131.617   36.655  164.234 RF   29.8 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   29.8 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.743   34.377  143.791 RF   29.8 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.032   30.768  159.195 RF   29.8 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   29.7 RFZ  3.51 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  106.282   35.681  173.279 RF   29.6 RFZ  3.50 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   29.5 RFZ  3.50 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   15.917   37.423  161.819 RF   29.5 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.561   28.504  159.572 RF   29.4 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   29.4 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.097   37.037  173.718 RF   29.3 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  343.011   46.635  157.436 RF   29.3 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.722   30.768  159.195 RF   29.3 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   29.3 RFZ  3.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  313.485   26.129  131.075 RF   29.2 RFZ  3.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.047   28.565  158.082 RF   29.2 RFZ  3.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.664   30.768  159.195 RF   29.2 RFZ  3.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   29.1 RFZ  3.46 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.392   32.726  161.404 RF   29.1 RFZ  3.46 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    4.833   44.857  154.555 RF   29.0 RFZ  3.45 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.863   27.322  179.360 RF   28.9 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.109   33.304  152.137 RF   28.9 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  359.706   33.033  159.523 RF   28.9 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   28.8 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.762   16.527  177.375 RF   28.8 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   22.995   33.287  142.760 RF   28.8 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   28.7 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  233.459   23.584  125.904 RF   28.7 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   28.7 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  126.009   21.007  190.753 RF   28.7 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.808   30.784  187.542 RF   28.6 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  274.252   35.922  130.731 RF   28.6 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   28.6 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   28.6 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  172.249   26.031  175.375 RF   28.5 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  181.693   26.185  158.293 RF   28.5 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   59.341   34.557  163.960 RF   28.5 RFZ  3.40 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  137.842   32.059  167.509 RF   28.5 RFZ  3.40 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.720   17.573  148.852 RF   28.5 RFZ  3.40 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   29.925   26.470  156.022 RF   28.4 RFZ  3.40 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.618   30.768  159.195 RF   28.3 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  100.104   34.745  169.496 RF   28.3 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   28.3 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.730   37.513  173.361 RF   28.1 RFZ  3.37 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   28.0 RFZ  3.36 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  278.572   30.768  159.195 RF   27.8 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  245.347   32.164  155.672 RF   27.8 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.808   32.877  160.804 RF   27.7 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.823   21.941  184.278 RF   27.7 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   25.075   35.127  161.652 RF   27.7 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   27.7 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   75.138   27.668  166.219 RF   27.6 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  312.823   27.721  141.301 RF   27.6 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   57.215   23.048  184.882 RF   27.6 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   27.6 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.355   26.193  160.767 RF   27.6 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   27.6 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.699   38.142  132.918 RF   27.5 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  261.961   38.896  145.291 RF   27.5 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.110   12.358  151.504 RF   27.4 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  345.892   39.456  134.657 RF   27.4 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  354.850   48.818  167.215 RF   27.3 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.900   42.505  150.379 RF   27.3 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.150   30.735  150.055 RF   27.3 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.543   27.342  165.815 RF   27.2 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.626   43.566  148.058 RF   27.2 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.062   29.180  141.228 RF   27.1 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  112.575   36.352  177.116 RF   27.1 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  253.770   38.412  144.024 RF   27.1 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.169   32.279  155.943 RF   27.1 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    6.601   44.316  162.239 RF   27.0 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.480   30.768  159.195 RF   26.9 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    7.988   32.116  142.052 RF   26.9 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   26.9 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  184.225   22.477  136.978 RF   26.8 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    0.508   32.395  174.493 RF   26.8 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   26.8 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   26.8 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  132.877   26.423  162.328 RF   26.8 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   26.8 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  253.329   16.322  128.405 RF   26.7 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.241   22.761  147.523 RF   26.7 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  161.588   31.354  172.956 RF   26.7 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   26.7 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  258.640   35.499  150.202 RF   26.6 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   26.6 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   26.6 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.203   35.142  161.594 RF   26.6 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  271.409   41.333  144.353 RF   26.6 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.485   36.119  146.020 RF   26.6 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  234.885   35.560  145.227 RF   26.5 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    8.133   48.136  170.494 RF   26.5 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   26.5 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.583   29.426  173.150 RF   26.5 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.892   33.430  171.221 RF   26.4 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   26.4 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  112.940   20.739  184.014 RF   26.4 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  117.331   33.855  170.580 RF   26.3 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  268.812   37.670  148.534 RF   26.2 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.577   20.678  156.967 RF   26.2 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  117.584   30.768  159.195 RF   26.2 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.703   31.517  191.458 RF   26.2 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.894   21.081  121.983 RF   26.1 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.835   22.554  121.990 RF   26.1 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.279   27.013  139.028 RF   26.0 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   26.0 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  356.261   44.091  175.132 RF   26.0 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   49.289   33.293  141.902 RF   26.0 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.649   35.266  161.001 RF   25.9 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  257.473   21.040  152.583 RF   25.9 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  102.303   38.569  179.056 RF   25.9 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  171.916   26.205  159.116 RF   25.9 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   18.341   30.410  143.145 RF   25.9 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   24.571   42.548  173.301 RF   25.8 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.664   28.496  175.086 RF   25.8 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.492   30.768  159.195 RF   25.7 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  282.976   18.262  125.802 RF   25.7 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  171.627   26.120  140.191 RF   25.7 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  338.494   31.758  176.517 RF   25.6 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  321.573   36.216  130.604 RF   25.6 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   22.381   43.947  165.284 RF   25.5 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  100.159   31.252  191.179 RF   25.4 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.345   27.956  138.826 RF   25.4 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.400   30.768  159.195 RF   25.4 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  295.017   28.561  150.814 RF   25.4 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.339   33.043  166.696 RF   25.3 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   25.3 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  294.878   21.765  122.370 RF   25.3 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  256.782   13.743  134.615 RF   25.3 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   25.2 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.460   21.314  150.409 RF   25.1 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  354.014   46.558  172.421 RF   25.1 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.906   33.123  175.649 RF   25.0 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   25.0 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.097   26.276  176.788 RF   25.0 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  329.976   34.717  175.198 RF   24.9 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  147.239   28.399  136.646 RF   24.9 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.260   29.319  177.032 RF   24.9 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.674   29.315  136.354 RF   24.9 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   24.9 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.309   12.248  146.366 RF   24.9 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   24.9 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   90.446   30.768  159.195 RF   24.8 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  275.612   36.189  151.620 RF   24.8 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  132.112   33.786  175.113 RF   24.7 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  323.258   49.548  159.401 RF   24.7 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.671   17.584  125.897 RF   24.5 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.186   28.930  150.674 RF   24.5 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  100.219   21.636  148.565 RF   24.5 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.090   40.928  150.040 RF   24.4 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.732   40.369  165.315 RF   24.4 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.853   17.042  135.121 RF   24.3 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   24.3 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  193.813   33.025  138.297 RF   24.3 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  175.253   30.462  175.179 RF   24.3 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   24.2 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  265.244   34.120  153.403 RF   24.2 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.647   47.824  151.290 RF   24.1 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.583   40.879  160.397 RF   24.1 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.323   24.669  141.232 RF   24.0 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.475   47.488  147.891 RF   24.0 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.771   36.460  172.722 RF   23.9 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.674   25.422  121.088 RF   23.8 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.720   40.659  173.356 RF   23.6 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.387   20.578  161.440 RF   23.6 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  354.753   35.057  176.155 RF   23.6 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   23.5 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   23.5 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   23.4 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.350   24.444   96.617 RF   23.3 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.388   40.196  156.612 RF   23.3 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   23.3 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.579   40.955  159.133 RF   23.3 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.503   23.357  174.519 RF   23.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.303   26.896  133.601 RF   23.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  150.964   23.516  187.127 RF   23.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  109.395   40.969  157.891 RF   23.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   33.461   49.419  162.623 RF   23.2 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   23.2 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  271.855   32.527  156.428 RF   23.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.760   41.761  152.978 RF   23.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   39.217   24.887  175.166 RF   23.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.978   35.299  140.263 RF   23.1 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.035   34.851  174.050 RF   23.1 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.765   26.601  136.983 RF   23.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.724   13.530   93.504 RF   23.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  312.617   35.970  173.606 RF   23.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.398   57.665  177.443 RF   23.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.463   11.731  223.636 RF   23.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.783   30.176  192.557 RF   23.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.421   32.003  162.877 RF   22.9 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    4.698   37.016  136.079 RF   22.9 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   77.540   40.554  164.094 RF   22.9 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.845   12.423  144.349 RF   22.9 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  123.236   31.689  163.207 RF   22.9 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  279.431   21.677  148.420 RF   22.8 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  106.135   20.592  161.627 RF   22.8 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    2.250   24.787  138.003 RF   22.7 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   18.088   44.278  180.089 RF   22.6 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   83.122   33.725  189.808 RF   22.6 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.262   28.939  129.773 RF   22.6 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  295.961   26.173  120.258 RF   22.4 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.414    5.368  211.612 RF   22.4 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  349.103   30.540  132.244 RF   22.4 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   67.853   45.121  177.517 RF   22.4 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  173.721   21.562  138.206 RF   22.4 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   58.687   41.572  152.743 RF   22.4 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   12.483   21.810  155.358 RF   22.3 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  271.321   28.944  125.698 RF   22.3 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.705   28.038  181.965 RF   22.2 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  215.420   15.592  125.650 RF   22.2 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.105   29.162  138.969 RF   22.2 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.526   31.131  133.953 RF   22.2 RFZ  2.84 # DEEP

   Scoring 792 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #1 of 1
   0%                 100%
   |===================| DONE

   Mean Score (Sigma):       19.75   ( 6.68)

   SET #1 of 1 TRIAL #176 of 396 (TRIAL #1 of 221 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 266.84  29.07 162.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #177 of 396 (TRIAL #2 of 221 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 316.78  35.14 156.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 3 sites over 67.5% of top
   3 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.250  0.000  0.934     54.169  5.00
   2      0.219  0.000  0.868     52.529  4.67
   3      0.242  0.000  0.923     51.842  4.54

   Top 3 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #177 of 396 (TRIAL #2 of 221 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.250  0.000  0.934     43.998  5.00   0.0      2     54.169/    54.169
   2      0.219  0.000  0.868     43.405  4.67   3.2      1     52.529/    52.529

   SET #1 of 1 TRIAL #178 of 396 (TRIAL #3 of 221 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  41.80  24.60 152.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #179 of 396 (TRIAL #4 of 221 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 233.34  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #180 of 396 (TRIAL #5 of 221 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 133.57  27.81 141.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #181 of 396 (TRIAL #6 of 221 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 207.45  29.35 167.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #182 of 396 (TRIAL #7 of 221 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 322.22  27.25 131.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #183 of 396 (TRIAL #8 of 221 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 239.95  24.37 161.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #184 of 396 (TRIAL #9 of 221 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 131.62  36.65 164.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #185 of 396 (TRIAL #10 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 350.92  26.21 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #186 of 396 (TRIAL #11 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  37.74  34.38 143.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #187 of 396 (TRIAL #12 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler   9.03  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #188 of 396 (TRIAL #13 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  98.11  38.34 149.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #189 of 396 (TRIAL #14 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 106.28  35.68 173.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #190 of 396 (TRIAL #15 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 332.57  27.01 170.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #191 of 396 (TRIAL #16 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  15.92  37.42 161.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #192 of 396 (TRIAL #17 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 341.56  28.50 159.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #193 of 396 (TRIAL #18 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  56.35  20.61 156.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #194 of 396 (TRIAL #19 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  42.10  37.04 173.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #195 of 396 (TRIAL #20 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 343.01  46.64 157.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #196 of 396 (TRIAL #21 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 144.72  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.222 -0.000  0.941     51.460  4.53

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #196 of 396 (TRIAL #21 of 221 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.222 -0.000  0.941     40.624  4.53   0.0      1     51.460/    51.460

   SET #1 of 1 TRIAL #197 of 396 (TRIAL #22 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 266.43  24.03 172.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #198 of 396 (TRIAL #23 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 313.49  26.13 131.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #199 of 396 (TRIAL #24 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  19.05  28.56 158.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #200 of 396 (TRIAL #25 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 296.66  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #201 of 396 (TRIAL #26 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 136.29  40.23 158.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #202 of 396 (TRIAL #27 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  52.39  32.73 161.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #203 of 396 (TRIAL #28 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler   4.83  44.86 154.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #204 of 396 (TRIAL #29 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 156.86  27.32 179.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #205 of 396 (TRIAL #30 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 239.11  33.30 152.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #206 of 396 (TRIAL #31 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 359.71  33.03 159.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #207 of 396 (TRIAL #32 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 217.47  27.18 176.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #208 of 396 (TRIAL #33 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 174.76  16.53 177.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #209 of 396 (TRIAL #34 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  23.00  33.29 142.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #210 of 396 (TRIAL #35 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 165.48  35.57 167.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #211 of 396 (TRIAL #36 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 233.46  23.58 125.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #212 of 396 (TRIAL #37 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 130.85  39.28 153.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #213 of 396 (TRIAL #38 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 126.01  21.01 190.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #214 of 396 (TRIAL #39 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  27.81  30.78 187.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #215 of 396 (TRIAL #40 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 274.25  35.92 130.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #216 of 396 (TRIAL #41 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  27.07  27.83 147.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #217 of 396 (TRIAL #42 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 174.84  35.22 168.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #218 of 396 (TRIAL #43 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 172.25  26.03 175.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #219 of 396 (TRIAL #44 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 181.69  26.18 158.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #220 of 396 (TRIAL #45 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  59.34  34.56 163.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #221 of 396 (TRIAL #46 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 137.84  32.06 167.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #222 of 396 (TRIAL #47 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 206.72  17.57 148.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #223 of 396 (TRIAL #48 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  29.93  26.47 156.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #224 of 396 (TRIAL #49 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 287.62  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #225 of 396 (TRIAL #50 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 100.10  34.75 169.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #226 of 396 (TRIAL #51 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 114.47  38.85 151.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #227 of 396 (TRIAL #52 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 352.73  37.51 173.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #228 of 396 (TRIAL #53 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler   1.14  23.98 157.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #229 of 396 (TRIAL #54 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 278.57  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #230 of 396 (TRIAL #55 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 245.35  32.16 155.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #231 of 396 (TRIAL #56 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  34.81  32.88 160.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #232 of 396 (TRIAL #57 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  66.82  21.94 184.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #233 of 396 (TRIAL #58 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  25.07  35.13 161.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #234 of 396 (TRIAL #59 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 188.54  36.06 151.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #235 of 396 (TRIAL #60 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  75.14  27.67 166.22 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #236 of 396 (TRIAL #61 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 312.82  27.72 141.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #237 of 396 (TRIAL #62 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  57.21  23.05 184.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #238 of 396 (TRIAL #63 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 351.88  21.68 148.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #239 of 396 (TRIAL #64 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 152.36  26.19 160.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #240 of 396 (TRIAL #65 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 207.91  27.89 176.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #241 of 396 (TRIAL #66 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 290.70  38.14 132.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #242 of 396 (TRIAL #67 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 261.96  38.90 145.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #243 of 396 (TRIAL #68 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 204.11  12.36 151.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #244 of 396 (TRIAL #69 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 345.89  39.46 134.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #245 of 396 (TRIAL #70 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 354.85  48.82 167.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #246 of 396 (TRIAL #71 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  31.90  42.50 150.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #247 of 396 (TRIAL #72 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 350.15  30.73 150.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #248 of 396 (TRIAL #73 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  84.54  27.34 165.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #249 of 396 (TRIAL #74 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 332.63  43.57 148.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #250 of 396 (TRIAL #75 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 331.06  29.18 141.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #251 of 396 (TRIAL #76 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 112.58  36.35 177.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #252 of 396 (TRIAL #77 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 253.77  38.41 144.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #253 of 396 (TRIAL #78 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 254.17  32.28 155.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #254 of 396 (TRIAL #79 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler   6.60  44.32 162.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #255 of 396 (TRIAL #80 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 260.48  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #256 of 396 (TRIAL #81 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler   7.99  32.12 142.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #257 of 396 (TRIAL #82 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 335.56  60.15 153.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #258 of 396 (TRIAL #83 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 184.23  22.48 136.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #259 of 396 (TRIAL #84 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler   0.51  32.40 174.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #260 of 396 (TRIAL #85 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 246.31  25.15 174.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #261 of 396 (TRIAL #86 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 221.27  34.97 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #262 of 396 (TRIAL #87 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 132.88  26.42 162.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #263 of 396 (TRIAL #88 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 276.54  23.49 171.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #264 of 396 (TRIAL #89 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 253.33  16.32 128.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #265 of 396 (TRIAL #90 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 207.24  22.76 147.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #266 of 396 (TRIAL #91 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 161.59  31.35 172.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #267 of 396 (TRIAL #92 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 243.79  38.08 168.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #268 of 396 (TRIAL #93 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 258.64  35.50 150.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #269 of 396 (TRIAL #94 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 168.90  35.29 142.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #270 of 396 (TRIAL #95 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 168.78  39.95 163.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #271 of 396 (TRIAL #96 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 204.20  35.14 161.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #272 of 396 (TRIAL #97 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 271.41  41.33 144.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #273 of 396 (TRIAL #98 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 243.48  36.12 146.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #274 of 396 (TRIAL #99 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 234.89  35.56 145.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #275 of 396 (TRIAL #100 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler   8.13  48.14 170.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #276 of 396 (TRIAL #101 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 286.88  23.04 169.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #277 of 396 (TRIAL #102 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 192.58  29.43 173.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #278 of 396 (TRIAL #103 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 125.89  33.43 171.22 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #279 of 396 (TRIAL #104 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 302.48  34.53 174.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #280 of 396 (TRIAL #105 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 112.94  20.74 184.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #281 of 396 (TRIAL #106 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 117.33  33.86 170.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #282 of 396 (TRIAL #107 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 268.81  37.67 148.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #283 of 396 (TRIAL #108 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 128.58  20.68 156.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #284 of 396 (TRIAL #109 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 117.58  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.217 -0.000  0.874     51.010  4.86

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #284 of 396 (TRIAL #109 of 221 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.217 -0.000  0.874     39.667  4.86   0.0      1     51.010/    51.010

   SET #1 of 1 TRIAL #285 of 396 (TRIAL #110 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  52.70  31.52 191.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #286 of 396 (TRIAL #111 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 276.89  21.08 121.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #287 of 396 (TRIAL #112 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 285.84  22.55 121.99 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #288 of 396 (TRIAL #113 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  31.28  27.01 139.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #289 of 396 (TRIAL #114 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 296.42  20.58 159.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #290 of 396 (TRIAL #115 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 356.26  44.09 175.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #291 of 396 (TRIAL #116 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  49.29  33.29 141.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #292 of 396 (TRIAL #117 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 195.65  35.27 161.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #293 of 396 (TRIAL #118 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 257.47  21.04 152.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #294 of 396 (TRIAL #119 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 102.30  38.57 179.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #295 of 396 (TRIAL #120 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 171.92  26.20 159.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #296 of 396 (TRIAL #121 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  18.34  30.41 143.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #297 of 396 (TRIAL #122 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  24.57  42.55 173.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #298 of 396 (TRIAL #123 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 350.66  28.50 175.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #299 of 396 (TRIAL #124 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  99.49  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #300 of 396 (TRIAL #125 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 282.98  18.26 125.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #301 of 396 (TRIAL #126 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 171.63  26.12 140.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #302 of 396 (TRIAL #127 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 338.49  31.76 176.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #303 of 396 (TRIAL #128 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 321.57  36.22 130.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #304 of 396 (TRIAL #129 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  22.38  43.95 165.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #305 of 396 (TRIAL #130 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 100.16  31.25 191.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #306 of 396 (TRIAL #131 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 192.34  27.96 138.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #307 of 396 (TRIAL #132 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  81.40  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #308 of 396 (TRIAL #133 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 295.02  28.56 150.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #309 of 396 (TRIAL #134 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 111.34  33.04 166.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #310 of 396 (TRIAL #135 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 219.01  39.25 165.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #311 of 396 (TRIAL #136 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 294.88  21.77 122.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #312 of 396 (TRIAL #137 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 256.78  13.74 134.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #313 of 396 (TRIAL #138 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 285.32  35.80 173.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #314 of 396 (TRIAL #139 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  89.46  21.31 150.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #315 of 396 (TRIAL #140 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 354.01  46.56 172.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #316 of 396 (TRIAL #141 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 140.91  33.12 175.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #317 of 396 (TRIAL #142 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 155.42  39.96 157.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #318 of 396 (TRIAL #143 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  19.10  26.28 176.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #319 of 396 (TRIAL #144 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 329.98  34.72 175.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #320 of 396 (TRIAL #145 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 147.24  28.40 136.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #321 of 396 (TRIAL #146 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler   9.26  29.32 177.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #322 of 396 (TRIAL #147 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 156.67  29.32 136.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #323 of 396 (TRIAL #148 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 260.28  37.31 170.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #324 of 396 (TRIAL #149 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 227.31  12.25 146.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #325 of 396 (TRIAL #150 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 248.54  40.68 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #326 of 396 (TRIAL #151 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  90.45  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #327 of 396 (TRIAL #152 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 275.61  36.19 151.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #328 of 396 (TRIAL #153 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 132.11  33.79 175.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #329 of 396 (TRIAL #154 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 323.26  49.55 159.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #330 of 396 (TRIAL #155 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 264.67  17.58 125.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #331 of 396 (TRIAL #156 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 304.19  28.93 150.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #332 of 396 (TRIAL #157 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 100.22  21.64 148.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #333 of 396 (TRIAL #158 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  42.09  40.93 150.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #334 of 396 (TRIAL #159 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 264.73  40.37 165.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #335 of 396 (TRIAL #160 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 176.85  17.04 135.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #336 of 396 (TRIAL #161 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 163.57  39.98 158.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #337 of 396 (TRIAL #162 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 193.81  33.02 138.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #338 of 396 (TRIAL #163 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 175.25  30.46 175.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #339 of 396 (TRIAL #164 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  10.94  21.02 165.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #340 of 396 (TRIAL #165 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 265.24  34.12 153.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #341 of 396 (TRIAL #166 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  10.65  47.82 151.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #342 of 396 (TRIAL #167 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 125.58  40.88 160.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #343 of 396 (TRIAL #168 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 152.32  24.67 141.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #344 of 396 (TRIAL #169 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 304.48  47.49 147.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #345 of 396 (TRIAL #170 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 276.77  36.46 172.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #346 of 396 (TRIAL #171 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 304.67  25.42 121.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #347 of 396 (TRIAL #172 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 341.72  40.66 173.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #348 of 396 (TRIAL #173 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 285.39  20.58 161.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #349 of 396 (TRIAL #174 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 354.75  35.06 176.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #350 of 396 (TRIAL #175 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 232.62  37.51 171.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #351 of 396 (TRIAL #176 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  34.98  58.45 174.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #352 of 396 (TRIAL #177 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  60.80  26.59 129.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #353 of 396 (TRIAL #178 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 300.35  24.44  96.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #354 of 396 (TRIAL #179 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 183.39  40.20 156.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #355 of 396 (TRIAL #180 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 224.30  30.75 179.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #356 of 396 (TRIAL #181 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 296.58  40.96 159.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #357 of 396 (TRIAL #182 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 209.50  23.36 174.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #358 of 396 (TRIAL #183 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  47.30  26.90 133.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #359 of 396 (TRIAL #184 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 150.96  23.52 187.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #360 of 396 (TRIAL #185 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 109.40  40.97 157.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #361 of 396 (TRIAL #186 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  33.46  49.42 162.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #362 of 396 (TRIAL #187 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 352.12  21.60 169.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #363 of 396 (TRIAL #188 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 271.86  32.53 156.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #364 of 396 (TRIAL #189 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 209.76  41.76 152.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #365 of 396 (TRIAL #190 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  39.22  24.89 175.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #366 of 396 (TRIAL #191 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 217.98  35.30 140.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #367 of 396 (TRIAL #192 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 179.04  34.85 174.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #368 of 396 (TRIAL #193 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 128.76  26.60 136.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #369 of 396 (TRIAL #194 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 287.72  13.53  93.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #370 of 396 (TRIAL #195 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 312.62  35.97 173.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #371 of 396 (TRIAL #196 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  42.40  57.67 177.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #372 of 396 (TRIAL #197 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  72.46  11.73 223.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #373 of 396 (TRIAL #198 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  60.78  30.18 192.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #374 of 396 (TRIAL #199 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 105.42  32.00 162.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #375 of 396 (TRIAL #200 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler   4.70  37.02 136.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #376 of 396 (TRIAL #201 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  77.54  40.55 164.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #377 of 396 (TRIAL #202 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 176.85  12.42 144.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #378 of 396 (TRIAL #203 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 123.24  31.69 163.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #379 of 396 (TRIAL #204 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 279.43  21.68 148.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #380 of 396 (TRIAL #205 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 106.13  20.59 161.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #381 of 396 (TRIAL #206 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler   2.25  24.79 138.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #382 of 396 (TRIAL #207 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  18.09  44.28 180.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #383 of 396 (TRIAL #208 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  83.12  33.73 189.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #384 of 396 (TRIAL #209 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  79.26  28.94 129.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #385 of 396 (TRIAL #210 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 295.96  26.17 120.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #386 of 396 (TRIAL #211 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 101.41   5.37 211.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #387 of 396 (TRIAL #212 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 349.10  30.54 132.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #388 of 396 (TRIAL #213 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  67.85  45.12 177.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #389 of 396 (TRIAL #214 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 173.72  21.56 138.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #390 of 396 (TRIAL #215 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  58.69  41.57 152.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #391 of 396 (TRIAL #216 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  12.48  21.81 155.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #392 of 396 (TRIAL #217 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 271.32  28.94 125.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #393 of 396 (TRIAL #218 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 304.70  28.04 181.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #394 of 396 (TRIAL #219 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 215.42  15.59 125.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #395 of 396 (TRIAL #220 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  99.11  29.16 138.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #396 of 396 (TRIAL #221 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  84.53  31.13 133.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   Translation Function Results
   Top1: ENSEMBLE helix_pdb EULER 239.749 32.036 139.851 FRAC 0.058 -0.000 0.754 TF=53.6

   Translation Function Table
   --------------------------
   SET ROT*deep   Top   (Z)     Second   (Z)      Third   (Z) SpaceGroup  Ensemble
     1   1       53.1  4.31       50.7  3.83       49.7  3.47 C 1 2 1  helix_pd   
     1   2       47.7  3.21       47.7  3.24       47.0  3.17 C 1 2 1  helix_pd   
     1   3       50.0  3.83       48.0  3.40       47.7  3.37 C 1 2 1  helix_pd   
     1   4       48.8  3.80       48.7  3.69       47.7  3.64 C 1 2 1  helix_pd   
     1   5       53.6  4.54       49.3  3.79       48.7  3.50 C 1 2 1  helix_pd   
     1   6       48.9  3.71       48.1  3.35       47.3  3.53 C 1 2 1  helix_pd   
     1   7       50.7  3.79       48.9  3.58       47.7  3.71 C 1 2 1  helix_pd   
     1   8       49.2  3.70       48.6  3.48       48.4  3.36 C 1 2 1  helix_pd   
     1   9       47.0  3.42       46.8  3.69       46.3  3.42 C 1 2 1  helix_pd   
     1  10       49.0  3.91       49.0  4.08       48.5  3.74 C 1 2 1  helix_pd   
     1  11       47.4  3.84       44.7  3.58          -     - C 1 2 1  helix_pd   
     1  12       49.6  4.39       48.2  3.70       46.9  3.39 C 1 2 1  helix_pd   
     1  13       51.7  4.78          -     -          -     - C 1 2 1  helix_pd   
     1  14       49.2  4.26          -     -          -     - C 1 2 1  helix_pd   
     1  15       48.3  4.24       46.6  3.79       45.8  3.51 C 1 2 1  helix_pd   
     1  16       48.6  3.98       45.0  3.45       44.9  3.82 C 1 2 1  helix_pd   
     1  17          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  18       46.2  3.68       46.0  3.64       43.3  3.30 C 1 2 1  helix_pd   
     1  19       45.3  3.73       45.2  3.71       44.5  3.46 C 1 2 1  helix_pd   
     1  20       48.6  4.37          -     -          -     - C 1 2 1  helix_pd   
     1  21       45.6  3.64          -     -          -     - C 1 2 1  helix_pd   
     1  22       46.8  4.00          -     -          -     - C 1 2 1  helix_pd   
     1  23       46.9  3.79       45.8  3.62          -     - C 1 2 1  helix_pd   
     1  24       44.8  3.69          -     -          -     - C 1 2 1  helix_pd   
     1  25          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  26       48.8  4.47          -     -          -     - C 1 2 1  helix_pd   
     1  27          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  28       45.0  3.84       43.2  3.58       42.0  3.53 C 1 2 1  helix_pd   
     1  29       45.3  4.09          -     -          -     - C 1 2 1  helix_pd   
     1  30       46.2  3.84       44.4  3.66       43.6  3.72 C 1 2 1  helix_pd   
     1  31          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  32       44.5  3.71          -     -          -     - C 1 2 1  helix_pd   
     1  33       45.4  3.80          -     -          -     - C 1 2 1  helix_pd   
     1  34       43.3  3.71          -     -          -     - C 1 2 1  helix_pd   
     1  35       47.2  4.13       45.6  3.87          -     - C 1 2 1  helix_pd   
     1  36       43.8  4.04          -     -          -     - C 1 2 1  helix_pd   
     1  37          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  38       45.8  4.29          -     -          -     - C 1 2 1  helix_pd   
     1  39          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  40       44.7  3.99          -     -          -     - C 1 2 1  helix_pd   
     1  41          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  42          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  43          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  44          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  45          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  46       44.0  4.16       41.1  3.66          -     - C 1 2 1  helix_pd   
     1  47          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  48       47.9  4.75       45.5  4.03          -     - C 1 2 1  helix_pd   
     1  49       45.3  4.30          -     -          -     - C 1 2 1  helix_pd   
     1  50       48.8  4.88       45.3  4.21          -     - C 1 2 1  helix_pd   
     1  51       50.0  5.07          -     -          -     - C 1 2 1  helix_pd   
     1  52       44.0  3.92          -     -          -     - C 1 2 1  helix_pd   
     1  53       42.6  3.85       41.9  3.85          -     - C 1 2 1  helix_pd   
     1  54       46.1  4.52          -     -          -     - C 1 2 1  helix_pd   
     1  55       41.9  3.84          -     -          -     - C 1 2 1  helix_pd   
     1  56          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  57          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  58       45.9  4.57          -     -          -     - C 1 2 1  helix_pd   
     1  59       44.7  4.21          -     -          -     - C 1 2 1  helix_pd   
     1  60          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  61          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  62       43.0  4.16          -     -          -     - C 1 2 1  helix_pd   
     1  63          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  64       44.1  4.37          -     -          -     - C 1 2 1  helix_pd   
     1  65          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  66          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  67          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  68          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  69          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  70          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  71          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  72          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  73          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  74       44.7  4.40          -     -          -     - C 1 2 1  helix_pd   
     1  75          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  76       45.9  4.37          -     -          -     - C 1 2 1  helix_pd   
     1  77          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  78          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  79          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  80       44.3  4.41          -     -          -     - C 1 2 1  helix_pd   
     1  81          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  82          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  83          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  84          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  85          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  86          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  87          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  88          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  89          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  90          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  91          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  92          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  93          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  94          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  95          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  96          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  97          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  98          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  99          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 100          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 101          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 102          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 103          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 104          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 105       46.6  5.06          -     -          -     - C 1 2 1  helix_pd   
     1 106          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 107       44.6  4.36          -     -          -     - C 1 2 1  helix_pd   
     1 108          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 109          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 110          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 111          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 112          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 113          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 114          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 115          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 116          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 117          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 118          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 119          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 120          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 121          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 122          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 123          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 124          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 125       43.5  4.44          -     -          -     - C 1 2 1  helix_pd   
     1 126          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 127          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 128          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 129          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 130          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 131          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 132          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 133          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 134          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 135          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 136          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 137          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 138          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 139          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 140          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 141          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 142          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 143          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 144          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 145          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 146          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 147          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 148          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 149          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 150          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 151          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 152          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 153          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 154          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 155          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 156          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 157          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 158          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 159       42.0  4.58          -     -          -     - C 1 2 1  helix_pd   
     1 160          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 161          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 162          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 163          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 164          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 165          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 166          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 167          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 168          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 169          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 170          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 171          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 172          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 173          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 174          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 175          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 176*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 177*      44.0  5.00       43.4  4.67          -     - C 1 2 1  helix_pd   
     1 178*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 179*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 180*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 181*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 182*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 183*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 184*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 185*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 186*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 187*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 188*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 189*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 190*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 191*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 192*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 193*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 194*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 195*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 196*      40.6  4.53          -     -          -     - C 1 2 1  helix_pd   
     1 197*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 198*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 199*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 200*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 201*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 202*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 203*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 204*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 205*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 206*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 207*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 208*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 209*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 210*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 211*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 212*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 213*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 214*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 215*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 216*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 217*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 218*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 219*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 220*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 221*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 222*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 223*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 224*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 225*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 226*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 227*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 228*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 229*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 230*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 231*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 232*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 233*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 234*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 235*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 236*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 237*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 238*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 239*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 240*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 241*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 242*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 243*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 244*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 245*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 246*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 247*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 248*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 249*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 250*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 251*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 252*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 253*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 254*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 255*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 256*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 257*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 258*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 259*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 260*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 261*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 262*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 263*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 264*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 265*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 266*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 267*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 268*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 269*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 270*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 271*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 272*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 273*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 274*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 275*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 276*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 277*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 278*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 279*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 280*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 281*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 282*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 283*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 284*      39.7  4.86          -     -          -     - C 1 2 1  helix_pd   
     1 285*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 286*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 287*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 288*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 289*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 290*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 291*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 292*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 293*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 294*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 295*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 296*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 297*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 298*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 299*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 300*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 301*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 302*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 303*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 304*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 305*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 306*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 307*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 308*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 309*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 310*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 311*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 312*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 313*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 314*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 315*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 316*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 317*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 318*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 319*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 320*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 321*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 322*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 323*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 324*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 325*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 326*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 327*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 328*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 329*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 330*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 331*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 332*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 333*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 334*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 335*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 336*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 337*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 338*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 339*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 340*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 341*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 342*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 343*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 344*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 345*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 346*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 347*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 348*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 349*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 350*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 351*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 352*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 353*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 354*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 355*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 356*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 357*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 358*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 359*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 360*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 361*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 362*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 363*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 364*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 365*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 366*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 367*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 368*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 369*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 370*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 371*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 372*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 373*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 374*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 375*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 376*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 377*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 378*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 379*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 380*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 381*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 382*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 383*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 384*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 385*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 386*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 387*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 388*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 389*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 390*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 391*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 392*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 393*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 394*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 395*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 396*         -     -          -     -          -     - C 1 2 1  helix_pd   
   --- ---

---------------
FINAL SELECTION
---------------

   LLG will be used for purge, not FSS
   Top TF  = 53.58
   Top TFZ = 5.07
   Mean TF = 19.75
   Percent used for purge = 75%
   Cutoff for acceptance = 45.1
      TFZ used for final selection = 8
         Number of solutions over TF final cutoff  = 100
         Number of solutions over TFZ final cutoff = 0
         Number of solutions over TF & TFZ cutoff  = 0
   Number of solutions stored before final selection = 150
   Number of solutions stored (deleted) after final selection = 100 (50)

------------
OUTPUT FILES
------------

   No files output

CPU Time: 0 days 0 hrs 1 mins 5.27 secs (     65.27 secs)
Finished: Thu Sep 30 04:32:56 2021

******************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT PACKING ANALYSIS                        2.8.3 ***
******************************************************************************************

---------
ENSEMBLES
---------

   Trace Generation
   ----------------
   Ensemble        Trace-type  Length      Sampling Close-contact
   helix_pdb       all-atom       130          1.50          1.00

-----------------
ENSEMBLE SYMMETRY
-----------------

   Ensemble "helix_pdb" Point Group: 1

   Clash background has been packed at 10.00%

----------------
PACKING FUNCTION
----------------

   There are 100 solutions to pack
   Spreading calculation onto 23 threads.
   Packing analysis
   0%    100%
   |======| DONE

   Packing Table
   -------------
   Solutions accepted if pairwise clashes less than 10 % of trace atoms
   #in  #out Clash-% Symm TF-SET  ROT TFpk#        TF    TFZ    SpaceGroup 
   1    ---  >10.77  --       1     5    1         53.58  4.54  C 1 2 1    
   2    Top1  0      --       1     1    1         53.13  4.31  C 1 2 1    
   3    ---  >10.77  --       1    13    1         51.67  4.78  C 1 2 1    
   4    2     0      --       1     1    2         50.69  3.83  C 1 2 1    
   5    ---  >10.77  --       1     7    1         50.69  3.79  C 1 2 1    
   6    ---  >10.77  --       1     3    1         50.02  3.83  C 1 2 1    
   7    ---  >10.77  --       1    51    1         49.97  5.07  C 1 2 1    
   8    3     0      --       1     1    3         49.68  3.47  C 1 2 1    
   9    4     0      --       1    12    1         49.58  4.39  C 1 2 1    
   10   5     6.923  --       1     5    2         49.29  3.79  C 1 2 1    
   11   ---  >10.77  --       1    14    1         49.22  4.26  C 1 2 1    
   12   6     0      --       1     8    1         49.20  3.70  C 1 2 1    
   13   7     0      --       1     1    4         49.19  3.41  C 1 2 1    
   14   ---  >10.77  --       1     1    5         49.12  3.25  C 1 2 1    
   15   ---  >10.77  --       1    10    1         48.99  3.91  C 1 2 1    
   16   8     0      --       1    10    2         48.99  4.08  C 1 2 1    
   17   ---  >10.77  --       1     7    2         48.95  3.58  C 1 2 1    
   18   ---  >10.77  --       1     6    1         48.94  3.71  C 1 2 1    
   19   ---  >10.77  --       1     1    6         48.91  3.09  C 1 2 1    
   20   ---  >10.77  --       1    26    1         48.83  4.47  C 1 2 1    
   21   ---  >10.77  --       1     4    1         48.78  3.80  C 1 2 1    
   22   ---  >10.77  --       1    50    1         48.77  4.88  C 1 2 1    
   23   ---  >10.77  --       1     5    3         48.74  3.50  C 1 2 1    
   24   ---  >10.77  --       1     4    2         48.70  3.69  C 1 2 1    
   25   ---  >10.77  --       1    16    1         48.65  3.98  C 1 2 1    
   26   ---  >10.77  --       1    20    1         48.63  4.37  C 1 2 1    
   27   ---  >10.77  --       1     8    2         48.55  3.48  C 1 2 1    
   28   ---  >10.77  --       1    10    3         48.45  3.74  C 1 2 1    
   29   ---  >10.77  --       1     8    3         48.41  3.36  C 1 2 1    
   30   9     0      --       1    15    1         48.34  4.24  C 1 2 1    
   31   ---  >10.77  --       1    12    2         48.22  3.70  C 1 2 1    
   32   ---  >10.77  --       1     6    2         48.08  3.35  C 1 2 1    
   33   ---  >10.77  --       1     8    4         48.04  3.45  C 1 2 1    
   34   ---  >10.77  --       1     5    4         48.03  3.37  C 1 2 1    
   35   ---  >10.77  --       1     3    2         47.98  3.40  C 1 2 1    
   36   ---  >10.77  --       1    48    1         47.95  4.75  C 1 2 1    
   37   10    0      --       1     1    7         47.76  2.99  C 1 2 1    
   38   11    0      --       1     8    5         47.75  3.26  C 1 2 1    
   39   ---  >10.77  --       1     7    3         47.73  3.71  C 1 2 1    
   40   12    0      --       1     4    3         47.73  3.64  C 1 2 1    
   41   ---  >10.77  --       1     2    1         47.69  3.21  C 1 2 1    
   42   ---  >10.77  --       1     3    3         47.68  3.37  C 1 2 1    
   43   13    0      --       1     2    2         47.67  3.24  C 1 2 1    
   44   ---  >10.77  --       1     3    4         47.65  3.31  C 1 2 1    
   45   ---  >10.77  --       1     1    8         47.49  3.00  C 1 2 1    
   46   ---  >10.77  --       1    11    1         47.38  3.84  C 1 2 1    
   47   ---  >10.77  --       1     6    3         47.32  3.53  C 1 2 1    
   48   14    0      --       1     6    4         47.27  3.36  C 1 2 1    
   49   ---  >10.77  --       1     5    5         47.23  3.47  C 1 2 1    
   50   ---  >10.77  --       1    35    1         47.23  4.13  C 1 2 1    
   51   15    7.692  --       1     5    6         47.16  3.22  C 1 2 1    
   52   16    0      --       1     6    5         47.14  3.34  C 1 2 1    
   53   ---  >10.77  --       1     9    1         47.05  3.42  C 1 2 1    
   54   17    0      --       1     2    3         47.04  3.17  C 1 2 1    
   55   ---  >10.77  --       1     2    4         46.93  3.14  C 1 2 1    
   56   ---  >10.77  --       1    23    1         46.91  3.79  C 1 2 1    
   57   ---  >10.77  --       1    12    3         46.87  3.39  C 1 2 1    
   58   18    0      --       1     9    2         46.76  3.69  C 1 2 1    
   59   19    0      --       1    22    1         46.75  4.00  C 1 2 1    
   60   20    0      --       1     5    7         46.74  3.26  C 1 2 1    
   61   ---  >10.77  --       1     3    5         46.72  3.09  C 1 2 1    
   62   ---  >10.77  --       1     2    5         46.72  3.26  C 1 2 1    
   63   21    0      --       1    10    4         46.67  3.53  C 1 2 1    
   64   ---  >10.77  --       1   105    1         46.65  5.06  C 1 2 1    
   65   ---  >10.77  --       1    15    2         46.60  3.79  C 1 2 1    
   66   22    0      --       1     6    6         46.55  3.21  C 1 2 1    
   67   ---  >10.77  --       1     7    4         46.50  3.52  C 1 2 1    
   68   ---  >10.77  --       1     5    8         46.43  3.22  C 1 2 1    
   69   ---  >10.77  --       1     9    3         46.29  3.42  C 1 2 1    
   70   23    0      --       1     3    6         46.27  3.29  C 1 2 1    
   71   ---  >10.77  --       1    18    1         46.20  3.68  C 1 2 1    
   72   ---  >10.77  --       1     5    9         46.19  3.12  C 1 2 1    
   73   ---  >10.77  --       1     4    4         46.16  3.38  C 1 2 1    
   74   ---  >10.77  --       1    30    1         46.16  3.84  C 1 2 1    
   75   ---  >10.77  --       1    54    1         46.15  4.52  C 1 2 1    
   76   ---  >10.77  --       1    18    2         46.01  3.64  C 1 2 1    
   77   24    0      --       1     4    5         45.94  2.99  C 1 2 1    
   78   ---  >10.77  --       1    58    1         45.93  4.57  C 1 2 1    
   79   25    9.231  --       1     1    9         45.92  2.96  C 1 2 1    
   80   ---  >10.77  --       1    76    1         45.88  4.37  C 1 2 1    
   81   ---  >10.77  --       1    23    2         45.84  3.62  C 1 2 1    
   82   26    0      --       1    15    3         45.81  3.51  C 1 2 1    
   83   ---  >10.77  --       1    38    1         45.75  4.29  C 1 2 1    
   84   27    0      --       1     7    5         45.74  3.13  C 1 2 1    
   85   28    0      --       1     7    6         45.69  3.23  C 1 2 1    
   86   29    0      --       1    21    1         45.63  3.64  C 1 2 1    
   87   30    0      --       1     4    6         45.62  3.27  C 1 2 1    
   88   ---  >10.77  --       1    35    2         45.61  3.87  C 1 2 1    
   89   ---  >10.77  --       1    48    2         45.50  4.03  C 1 2 1    
   90   31    0      --       1    15    4         45.41  3.57  C 1 2 1    
   91   ---  >10.77  --       1    33    1         45.37  3.80  C 1 2 1    
   92   ---  >10.77  --       1    50    2         45.33  4.21  C 1 2 1    
   93   ---  >10.77  --       1    49    1         45.32  4.30  C 1 2 1    
   94   32    0      --       1     5   10         45.29  3.12  C 1 2 1    
   95   ---  >10.77  --       1    19    1         45.28  3.73  C 1 2 1    
   96   ---  >10.77  --       1    29    1         45.27  4.09  C 1 2 1    
   97   ---  >10.77  --       1    19    2         45.22  3.71  C 1 2 1    
   98   ---  >10.77  --       1    12    4         45.18  3.22  C 1 2 1    
   99   33    0      --       1     9    4         45.17  3.22  C 1 2 1    
   100  ---  >10.77  --       1    15    5         45.17  3.46  C 1 2 1    

   33 accepted of 100 solutions
      33 pack of 33 accepted solutions

------------
OUTPUT FILES
------------

   No files output

CPU Time: 0 days 0 hrs 1 mins 6.91 secs (     66.91 secs)
Finished: Thu Sep 30 04:32:56 2021

******************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT REFINEMENT AND PHASING                  2.8.3 ***
******************************************************************************************

-----------------
TRANSLATIONAL NCS
-----------------

   tNCS not present

-------------------------------
DATA FOR REFINEMENT AND PHASING
-------------------------------

   Outlier Rejection
   -----------------
   No reflections are outliers

   Resolution of All Data (Number):        2.92  48.49 (2447)
   Resolution of Selected Data (Number):   2.92  48.49 (2447)

-------------------
WILSON DISTRIBUTION
-------------------

   Parameters set for Wilson log-likelihood calculation
   E = 0 and variance 1 for each reflection
   Without correction for SigF to the variances,
      Wilson log(likelihood) = - number of acentrics (2035)
                               - half number of centrics (412/2)
                             = -2241
   With correction for SigF,
      Wilson log(likelihood) = -2234.31

----------
ENSEMBLING
----------

   Ensemble Generation
   -------------------
   Resolution of Ensembles: 2.91671
   Scat% Radius Model# Rel-B    RMS   DRMS   VRMS Ensemble                           
    14.1    9.2      1  21.1  0.500  0.000  0.500 helix_pdb                          

   Trace Generation
   ----------------
   Ensemble        Trace-type  Length      Sampling Close-contact
   helix_pdb       all-atom       130          1.50          1.00

----------
REFINEMENT
----------

   Protocol cycle #1 of 1
   Refinement protocol for this macrocycle:
   ROTATION:         REFINE
   TRANSLATION:      REFINE
   BFACTOR:          REFINE
   MODEL VRMS:       FIX
   CELL SCALE:       FIX
   OCCUPANCY FACTOR: FIX
   LAST ONLY:        FALSE
   ROTATION RESTRAINT:    OFF
   TRANSLATION RESTRAINT: OFF

   There are 33 solutions to refine
   Spreading calculation onto 23 threads.
   Refining solutions
   0% 100%
   |===| DONE


   REFINING SET #1 OF 33
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER   35.7   33.6  180.1 FRAC -0.23  0.50 -0.15 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          53.864                62.272                 8.408

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER   34.2   33.1  180.4 FRAC -0.23  0.51 -0.14 BFAC -10.07

   REFINING SET #2 OF 33
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER   35.7   33.6  180.1 FRAC -0.20 -0.00 -0.08 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 6 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          51.171                58.777                 7.605

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER   39.7   32.0  181.3 FRAC -0.20  0.03 -0.08 BFAC -10.38


   REFINING SET #3 OF 33
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER   35.7   33.6  180.1 FRAC -0.11 -0.00 -0.02 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 5 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          50.219                53.825                 3.606

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER   37.7   32.4  180.4 FRAC -0.11  0.02 -0.02 BFAC -7.16

   REFINING SET #4 OF 33
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  307.8   37.6  145.6 FRAC -0.22 -0.00 -0.18 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 6 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          49.914                54.773                 4.859

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  308.4   38.5  146.3 FRAC -0.23  0.02 -0.19 BFAC -6.83


   REFINING SET #5 OF 33
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  239.7   32.0  139.9 FRAC  0.02 -0.00 -0.36 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 4 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          49.183                54.488                 5.305

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  243.3   31.0  138.5 FRAC  0.01 -0.02 -0.35 BFAC -7.00

   REFINING SET #6 OF 33
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  310.8   41.5  152.5 FRAC -0.28 -0.50 -0.18 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          48.620                57.099                 8.479

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  316.3   42.2  152.7 FRAC -0.28 -0.50 -0.18 BFAC -8.86


   REFINING SET #7 OF 33
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER   35.7   33.6  180.1 FRAC  0.10  0.00 -0.09 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 6 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          49.857                54.309                 4.452

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER   40.8   31.9  181.4 FRAC  0.10  0.03 -0.08 BFAC -8.83

   REFINING SET #8 OF 33
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  319.3   44.0  153.0 FRAC -0.28 -0.50 -0.18 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 6 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          49.044                57.094                 8.049

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  316.1   42.2  152.6 FRAC -0.28 -0.52 -0.18 BFAC -8.97


   REFINING SET #9 OF 33
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  334.8   42.1  156.5 FRAC -0.36 -0.50 -0.51 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 6 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          48.003                51.287                 3.283

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  331.9   41.1  156.6 FRAC -0.36 -0.51 -0.52 BFAC -5.48

   REFINING SET #10 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER   35.7   33.6  180.1 FRAC -0.18 -0.00 -0.03 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          48.185                53.176                 4.991

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER   40.9   32.0  180.7 FRAC -0.18  0.02 -0.03 BFAC -8.15


   REFINING SET #11 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  310.8   41.5  152.5 FRAC -0.10  0.00 -0.46 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          47.396                50.764                 3.368

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  309.3   40.6  150.9 FRAC -0.10 -0.02 -0.46 BFAC -6.62

   REFINING SET #12 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  272.2   32.1  134.6 FRAC -0.13  0.00 -0.39 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          47.486                57.249                 9.763

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  273.2   35.5  137.9 FRAC -0.12  0.04 -0.40 BFAC -8.74


   REFINING SET #13 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  132.6   24.8  184.1 FRAC -0.18 -0.00 -0.48 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          46.940                56.913                 9.974

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  129.3   26.6  183.4 FRAC -0.18  0.01 -0.48 BFAC -8.64

   REFINING SET #14 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  118.9   30.7  179.4 FRAC -0.17 -0.00 -0.50 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 8 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          46.873                57.082                10.209

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  124.5   28.2  182.8 FRAC -0.17 -0.02 -0.49 BFAC -9.05


   REFINING SET #15 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  239.7   32.0  139.9 FRAC -0.12  0.00 -0.15 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 5 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          46.991                52.560                 5.568

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  242.4   31.1  137.9 FRAC -0.12 -0.01 -0.14 BFAC -6.03

   REFINING SET #16 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  118.9   30.7  179.4 FRAC -0.14  0.00 -0.44 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 15 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          46.936                53.936                 7.000

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  121.0   26.9  181.8 FRAC -0.15  0.02 -0.43 BFAC -7.33


   REFINING SET #17 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  132.6   24.8  184.1 FRAC -0.30 -0.00 -0.09 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 4 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          46.139                52.561                 6.422

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  128.8   25.7  184.0 FRAC -0.31  0.02 -0.10 BFAC -8.95

   REFINING SET #18 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  330.7   38.3  140.5 FRAC  0.12 -0.00 -0.11 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          46.845                56.242                 9.398

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  326.8   35.2  137.6 FRAC  0.13 -0.05 -0.10 BFAC -9.63


   REFINING SET #19 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER   18.3   35.3  178.6 FRAC -0.25  0.50 -0.20 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 6 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          47.390                53.274                 5.885

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER   24.1   34.9  179.4 FRAC -0.26  0.51 -0.20 BFAC -6.96

   REFINING SET #20 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  239.7   32.0  139.9 FRAC -0.34  0.50 -0.19 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 5 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          46.657                51.208                 4.551

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  242.8   31.2  136.9 FRAC -0.35  0.50 -0.19 BFAC -5.03


   REFINING SET #21 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  319.3   44.0  153.0 FRAC -0.25  0.00 -0.12 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 8 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          46.726                54.100                 7.373

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  323.8   43.3  155.8 FRAC -0.24  0.01 -0.13 BFAC -7.38


   REFINING SET #22 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  118.9   30.7  179.4 FRAC -0.42  0.50 -0.51 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 13 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          46.111                56.324                10.213

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  122.2   28.7  181.6 FRAC -0.43  0.49 -0.50 BFAC -9.06


   REFINING SET #23 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  263.5   21.1  136.3 FRAC -0.27 -0.00 -0.16 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 4 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          46.440                51.614                 5.174

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  272.3   23.3  134.9 FRAC -0.26 -0.01 -0.16 BFAC -6.94


   REFINING SET #24 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  272.2   32.1  134.6 FRAC -0.04 -0.00 -0.45 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          46.263                53.875                 7.613

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  276.8   35.1  137.7 FRAC -0.04  0.02 -0.46 BFAC -8.37


   REFINING SET #25 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER   35.7   33.6  180.1 FRAC -0.40  0.50 -0.37 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          46.530                54.640                 8.111

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER   40.3   32.5  179.8 FRAC -0.40  0.51 -0.37 BFAC -7.55


   REFINING SET #26 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  334.8   42.1  156.5 FRAC -0.17  0.00 -0.13 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 5 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          45.479                47.934                 2.455

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  333.1   42.5  157.4 FRAC -0.17  0.01 -0.13 BFAC -4.51


   REFINING SET #27 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  245.9   28.8  133.3 FRAC -0.21 -0.00 -0.01 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 6 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          45.218                50.945                 5.726

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  256.6   32.2  135.4 FRAC -0.20 -0.04 -0.02 BFAC -4.71


   REFINING SET #28 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  245.9   28.8  133.3 FRAC -0.40 -0.50 -0.40 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 5 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          45.192                50.330                 5.138

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  254.0   32.2  135.7 FRAC -0.40 -0.52 -0.41 BFAC -5.48


   REFINING SET #29 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER    8.5   39.1  169.4 FRAC -0.34  0.50 -0.50 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 5 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          45.649                50.635                 4.986

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER    9.8   39.0  171.5 FRAC -0.34  0.53 -0.50 BFAC -6.94


   REFINING SET #30 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  272.2   32.1  134.6 FRAC -0.28 -0.00 -0.06 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 8 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          45.771                53.126                 7.355

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  277.2   35.8  136.9 FRAC -0.28  0.03 -0.07 BFAC -6.82


   REFINING SET #31 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  334.8   42.1  156.5 FRAC -0.23  0.00 -0.13 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          44.969                54.105                 9.137

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  327.4   42.8  157.5 FRAC -0.24  0.02 -0.12 BFAC -6.82


   REFINING SET #32 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  239.7   32.0  139.9 FRAC -0.39  0.50 -0.41 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          45.352                51.991                 6.640

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  242.3   30.4  137.2 FRAC -0.40  0.48 -0.41 BFAC -6.56


   REFINING SET #33 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  330.7   38.3  140.5 FRAC -0.15 -0.00 -0.05 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 5 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          44.985                52.093                 7.107

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  330.7   35.8  137.6 FRAC -0.14 -0.05 -0.05 BFAC -8.10


   Mean and Sigma after Refinement (for Purge)
   -------------------------------------------
   Scoring 528 randomly sampled orientations and translations

   Spreading calculation onto 23 threads.
   Generating Statistics
   0% 100%
   |===| DONE

   Mean Score for Purge before Refinement:  19.75
   Mean Score for Purge after Refinement :  32.27

---------------
FIND DUPLICATES
---------------

   Check for nearly equivalent solutions
   Spreading calculation onto 23 threads.
   Calculating Duplicates for 33 solutions
   0% 100%
   |===| DONE

   3 duplicate solutions found

---------------------
FIND TEMPLATE MATCHES
---------------------

   No Template Solution(s) for comparison

---------------
PURGE SELECTION
---------------

   Purge solutions according to highest LLG from Refinement
   --------------------------------------------------------
   Top LLG (all) = 62.7215
   Top LLG (packs) = 62.7215
   Mean LLG = 32.271
   Percent used for purge = 75%
      Cutoff for acceptance = 55.1
   Number used for purge  = 50
      Cutoff for acceptance = 48.8
   All Z-scores over 8 retained
      Number high TFZ retained = 0
   Overall cutoff for acceptance (excluding high TFZ) = 55.1
   Number of solutions stored before purge = 33
   Number of solutions stored (deleted) after purge = 10 (23)

---------------
TFZ EQUIVALENTS
---------------

   Refined TFZ equivalents calculated
   1 top TFZ equivalents calculated

   SOLUTION #1 OF 33
   -----------------
   TFZ equivalent calculation #1 of 1
      TOPFILE

   Spreading calculation onto 23 threads.
   Generating Statistics
   0%                     100%
   |=======================| DONE

   Mean Score (Sigma):       32.62   (5.89)
   Refined TF/TFZ equivalent = 62.72/  5.1 (Unrefined TF/TFZ=53.13/  4.3)

-------
RESULTS
-------

   Refinement Table (Sorted)
   -------------------------
   Refinement to full resolution
   #out =#out #in =T (Start LLG Rval TFZ) (Refined LLG Rval TFZ==) SpaceGroup  Cntrst
   Top1 ---   1            53.1 57.9  4.3         62.7 56.8  5.1   C 1 2 1      1.130
   2    ---   2            50.7 58.5  3.8         59.2 57.9  n/a   C 1 2 1      1.020
   3    ---   12           47.7 61.1  3.6         58.7 59.5  n/a   C 1 2 1      1.009
   4    ---   8            49.0 57.9  4.1         58.4 57.8  n/a   C 1 2 1      1.032
   ---  4     6            49.2 57.8  3.7         58.4 57.8  n/a   C 1 2 1      1.032
   5    ---   18           46.8 60.1  4.3         57.6 58.3  n/a   C 1 2 1      1.001
   6    ---   14           47.3 58.1  3.4         57.5 57.6  n/a   C 1 2 1      1.004
   ---  6     13           47.7 58.3  3.2         57.1 57.5  n/a   C 1 2 1      1.004
   7    ---   22           46.6 58.2  3.2         57.0 57.8  n/a   C 1 2 1      1.074
   8    ---   4            49.6 61.3  4.4         55.3 60.4  n/a   C 1 2 1      1.012
   ---  ---   7            49.2 58.6  3.4         55.0 58.2  n/a   C 1 2 1      1.014
   ---  ---   25           45.9 59.0  3.0         54.7 58.5  n/a   C 1 2 1      1.006
   ---  ---   3            49.7 58.5  3.5         54.5 57.8  n/a   C 1 2 1      1.005
   ---  ---   5            49.3 58.9  3.8         54.4 59.0  n/a   C 1 2 1      1.000
   ---  ---   24           45.9 61.0  3.0         54.4 59.9  n/a   C 1 2 1      1.010
   ---  ---   16           47.1 58.2  3.3         54.2 59.0  n/a   C 1 2 1      1.011
   ---  ---   19           46.8 58.6  4.0         54.0 57.7  n/a   C 1 2 1      1.002
   ---  ---   31           45.4 59.7  3.6         53.9 58.4  n/a   C 1 2 1      1.006
   ---  ---   21           46.7 58.8  3.5         53.5 58.4  n/a   C 1 2 1      1.006
   ---  ---   17           47.0 58.3  3.2         53.4 57.8  n/a   C 1 2 1      1.000
   ---  ---   30           45.6 61.1  3.3         53.4 59.6  n/a   C 1 2 1      1.000
   ---  ---   10           47.8 58.7  3.0         53.4 58.4  n/a   C 1 2 1      1.007
   ---  ---   33           45.2 60.8  3.2         53.2 58.4  n/a   C 1 2 1      1.006
   ---  ---   15           47.2 59.0  3.2         53.1 59.1  n/a   C 1 2 1      1.027
   ---  ---   32           45.3 58.7  3.1         52.6 58.3  n/a   C 1 2 1      1.018
   ---  ---   23           46.3 59.3  3.3         52.2 59.5  n/a   C 1 2 1      1.039
   ---  ---   29           45.6 59.4  3.6         51.5 58.9  n/a   C 1 2 1      1.015
   ---  ---   11           47.7 58.3  3.3         51.2 58.5  n/a   C 1 2 1      1.004
   ---  ---   9            48.3 59.1  4.2         51.1 59.2  n/a   C 1 2 1      1.001
   ---  ---   20           46.7 57.7  3.3         51.1 57.7  n/a   C 1 2 1      1.011
   ---  ---   28           45.7 58.9  3.2         50.9 58.5  n/a   C 1 2 1      1.041
   ---  ---   27           45.7 58.6  3.1         50.1 58.9  n/a   C 1 2 1      1.080
   ---  ---   26           45.8 60.2  3.5         48.8 59.7  n/a   C 1 2 1       n/a 

   Refinement Table (Variance Ranges)
   ----------------------------------
   Range of delta-VRMS and VRMS given over current solution list (33 solution(s))
   Ensemble        Model#   RMS   Delta-VRMS min/max  (VRMS min/max)
   helix_pdb            1   0.500   +0.000/+0.000    ( 0.500/ 0.500 )

------------
OUTPUT FILES
------------

   Calculation of Map Coefficients
   -------------------------------
   1 top map coefficients calculated

   Map coefficient calculated for top solution #1
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER   34.2   33.1  180.4 FRAC -0.23  0.51 -0.14 BFAC -10.07 #TFZ==5.1

   No files output

CPU Time: 0 days 0 hrs 1 mins 12.92 secs (     72.92 secs)
Finished: Thu Sep 30 04:32:56 2021

******************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                               2.8.3 ***
******************************************************************************************

** Current is Best Solution (first search)
** Current solution has 1 component
** New Best LLG = 62.7 (resolution = 2.92)
** Best Component so far = helix_pdb 

CPU Time: 0 days 0 hrs 1 mins 12.92 secs (     72.92 secs)
Finished: Thu Sep 30 04:32:56 2021

******************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                               2.8.3 ***
******************************************************************************************

   First component placed

CPU Time: 0 days 0 hrs 1 mins 12.92 secs (     72.92 secs)
Finished: Thu Sep 30 04:32:56 2021

******************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                               2.8.3 ***
******************************************************************************************

** Solution stored for possible reversion if next search fails
** Number of solutions = 8
** Solution TOP LLG = 62.7
** Solution TOP TFZ = 5.1

CPU Time: 0 days 0 hrs 1 mins 12.92 secs (     72.92 secs)
Finished: Thu Sep 30 04:32:56 2021

******************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                               2.8.3 ***
******************************************************************************************

** Search: Next component
** Search Order (next search *) (placed +):
**    #1   helix_pdb +
**    #2   helix_pdb *
**    #3   helix_pdb 
**    #4   helix_pdb 

CPU Time: 0 days 0 hrs 1 mins 12.92 secs (     72.92 secs)
Finished: Thu Sep 30 04:32:56 2021

******************************************************************************************
*** Phaser Module: EXPECTED LLG OF ENSEMBLES                                     2.8.3 ***
******************************************************************************************

-----------------
TRANSLATIONAL NCS
-----------------

   tNCS not present

   Resolution of Data (Selected):    2.917 (2.91671)
   Number of Reflections (Selected): 2447 (2447)
   eLLG Target: 225

----------
ENSEMBLING
----------

   Guide to eLLG values
   ---------------------
   eLLG      Top solution correct?
   <25       -no 
   25-36     -unlikely
   36-49     -possibly
   49-64     -probably
   >64       -yes

-----------------
POLY-ALANINE ELLG
-----------------

   Resolution = 2.91671
   Default RMSD = 0.1 0.2 0.4 0.8 1.6 3.2
   Minimum solvent = 20%
      Maximum number of polyalanine residues = 140 (-full-)
   Alanine residues for eLLG target = 79

   Table of Alanine Residues for eLLG Target
   -----------------------------------------
                  ---RMSD--- 
   eLLG-target |  0.10  0.20  0.40  0.80  1.60  3.20 
           225 |    79    81    91   137 -full--full-
           196 |    74    76    85   128 -full--full-
           169 |    69    71    79   119 -full--full-
           144 |    63    65    73   110 -full--full-
           121 |    58    60    67   100 -full--full-
           100 |    53    54    61    91 -full--full-
            81 |    47    49    54    82 -full--full-
            64 |    42    43    48    73 -full--full-
            49 |    37    38    42    64 -full--full-
            36 |    31    32    36    55 -full--full-
            25 |    26    27    30    45   136 -full-
            16 |    21    21    24    36   108 -full-
             9 |    15    16    18    27    81 -full-
             4 |    10    10    12    18    54 -full-
             1 |     5     5     6     9    27 -full-

--------------
MONOMERIC ELLG
--------------

   Expected LLG (eLLG)
   -------------------
   eLLG: eLLG of ensemble alone
       eLLG   RMSD frac-scat  Ensemble
       14.1  0.500   0.14128  helix_pdb

   Resolution for eLLG target
   --------------------------
   eLLG-reso: Resolution to achieve target eLLG (225)
     eLLG-reso  Ensemble
   > 2.92(all)  helix_pdb

   Resolution for eLLG target: data collection
   -------------------------------------------
   eLLG-reso: Resolution to achieve target eLLG (225) with perfect data
     eLLG-reso  Ensemble
        >1.2A   helix_pdb

   Expected LLG (eLLG): Chains
   ---------------------------
   eLLG: eLLG of chain alone
       eLLG   RMSD frac-scat chain  Ensemble
       14.1  0.500   0.14128  " A"  helix_pdb

   Resolution for eLLG target: Chains
   ----------------------------------
   eLLG-reso: Resolution to achieve target eLLG (225)
     eLLG-reso chain  Ensemble
   > 2.92(all)  " A"  helix_pdb

------------------
ELLG FOR SOLUTIONS
------------------

   eLLG Table for Addition
   -----------------------
   eLLG--: eLLG of already placed components
   eLLG++: eLLG of ensemble when added to already placed components
   eLLG-reso: Resolution to achieve target eLLG (225)
      #   eLLG--   eLLG++   eLLG-reso   RMSD frac-scat  Ensemble
      1     14.1     56.4 > 2.92(all)  0.500   0.14128  helix_pdb
   ----
      2     14.1     56.4 > 2.92(all)  0.500   0.14128  helix_pdb
   ----
      3     14.1     56.4 > 2.92(all)  0.500   0.14128  helix_pdb
   ----
      4     14.1     56.4 > 2.92(all)  0.500   0.14128  helix_pdb
   ----
      5     14.1     56.4 > 2.92(all)  0.500   0.14128  helix_pdb
   ----
      6     14.1     56.4 > 2.92(all)  0.500   0.14128  helix_pdb
   ----
      7     14.1     56.4 > 2.92(all)  0.500   0.14128  helix_pdb
   ----
      8     14.1     56.4 > 2.92(all)  0.500   0.14128  helix_pdb
   ----

------------------------------------------------------------------------------------------
Advisory: 
eLLG indicates that best placement of ensemble "helix_pdb" will probably be correct in the
context of already correctly placed components
------------------------------------------------------------------------------------------

--------------------
HOMO-OLIGOMERIC ELLG
--------------------

   eLLG calculated with top solution placed
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER   34.2   33.1  180.4 FRAC -0.23  0.51 -0.14 BFAC -10.07

   Number of copies for eLLG target
   --------------------------------
   eLLG-target   RMSD frac-scat-known frac-scat   num-copies  Ensemble
           225  0.500         0.28255   0.42383            3  helix_pdb

CPU Time: 0 days 0 hrs 1 mins 12.97 secs (     72.97 secs)
Finished: Thu Sep 30 04:32:56 2021

******************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT ROTATION FUNCTION                       2.8.3 ***
******************************************************************************************

-----------------
TRANSLATIONAL NCS
-----------------

   tNCS not present

--------------------------
DATA FOR ROTATION FUNCTION
--------------------------

   High resolution limit unaltered by RMS of ensemble
   High resolution limit unaltered by expected LLG

   Outlier Rejection
   -----------------
   No reflections are outliers

   Resolution of All Data (Number):        2.92  48.49 (2447)
   Resolution of Selected Data (Number):   2.92  48.49 (2447)

-------------------
WILSON DISTRIBUTION
-------------------

   Parameters set for Wilson log-likelihood calculation
   E = 0 and variance 1 for each reflection
   Without correction for SigF to the variances,
      Wilson log(likelihood) = - number of acentrics (2035)
                               - half number of centrics (412/2)
                             = -2241
   With correction for SigF,
      Wilson log(likelihood) = -2234.31

----------
ENSEMBLING
----------

   Ensemble Generation
   -------------------
   Resolution of Ensembles: 2.91671
   Scat% Radius Model# Rel-B    RMS   DRMS   VRMS Ensemble                           
    14.1    9.2      1  21.1  0.500  0.000  0.500 helix_pdb                          

-----------------
ROTATION FUNCTION
-----------------

   Ensemble configured to resolution  2.92
   Elmn for Search Ensemble
   Spreading calculation onto 23 threads.
   Elmn Calculation for Search Ensemble
   0%                   100%
   |=====================| DONE

   Target Function: FAST LERF1

-------------------------
ROTATION FUNCTION #1 OF 8
-------------------------

   Search Ensemble: helix_pdb

   ANNOTATION:  RFZ=4.7 TFZ=4.3 PAK=0 LLG=63 TFZ==5.1
   Sampling:  9.05 degrees

   SOLU SET  RFZ=4.7 TFZ=4.3 PAK=0 LLG=63 TFZ==5.1
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER   34.2   33.1  180.4 FRAC -0.23  0.51 -0.14 BFAC -10.07 #TFZ==5.1

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 23 threads.
   Elmn Calculation for Data
   0%                       100%
   |=========================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 23 threads.
   Clmn Calculation
   0% 100%
   |==| DONE

   Helix for model: cluster angle reduced
   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 52.5% of top
   There were 495 sites over 52.5% of top
   495 peaks selected
   The sites over 52.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       65.1   29.9  146.5    100.000  4.52
   2      144.5   34.2  148.9     98.775  4.47
   3      311.9   26.5  162.4     98.111  4.44
   #Sites = 495: output truncated to 3 sites

   Top 495 rotations before clustering will be rescored
   Spreading calculation onto 23 threads
   Calculating Likelihood for RF #1 of 8
   0%                     100%
   |=======================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 23 threads
   Generating Statistics for RF #1 of 8
   0%                     100%
   |=======================| DONE

   Highest Score (Z-score):  92.045   ( 4.10)

   New Top (ML) Rotation Function Score (RFZ) = 92.04 (RFZ=4.1) at RF #1
   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 293 sites over 60% of top
   The sites over 60% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       61.8   25.2  150.8     92.045  4.10   0.0      1     97.763/    97.763
          118.2  154.8  330.8
   2      260.3   25.9  169.4     92.039  4.10 144.8      1     84.801/    84.801
          279.7  154.1  349.4
   3       81.5   25.9  148.9     91.347  4.03  18.1      8     87.167/    87.167
           98.5  154.1  328.9
   #SITES = 293: OUTPUT TRUNCATED TO 3 SITES

-------------------------
ROTATION FUNCTION #2 OF 8
-------------------------

   Search Ensemble: helix_pdb

   ANNOTATION:  RFZ=4.7 TFZ=3.8 PAK=0 LLG=59
   Sampling:  9.05 degrees

   SOLU SET  RFZ=4.7 TFZ=3.8 PAK=0 LLG=59
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER   39.7   32.0  181.3 FRAC -0.20  0.03 -0.08 BFAC -10.38

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 23 threads.
   Elmn Calculation for Data
   0%                       100%
   |=========================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 23 threads.
   Clmn Calculation
   0% 100%
   |==| DONE

   Helix for model: cluster angle reduced
   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 52.5% of top
   There were 489 sites over 52.5% of top
   489 peaks selected
   The sites over 52.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       65.1   29.9  146.5    100.000  4.50
   2      144.5   34.2  148.9     98.307  4.43
   3       61.8   25.2  150.8     97.797  4.41
   #Sites = 489: output truncated to 3 sites

   Top 489 rotations before clustering will be rescored
   Spreading calculation onto 23 threads
   Calculating Likelihood for RF #2 of 8
   0%                     100%
   |=======================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 23 threads
   Generating Statistics for RF #2 of 8
   0%                     100%
   |=======================| DONE

   Highest Score (Z-score):  88.563   ( 4.01)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 294 sites over 60% of top
   The sites over 60% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      260.3   25.9  169.4     88.563  4.01   0.0      1     84.893/    84.893
          279.7  154.1  349.4
   2       61.8   25.2  150.8     88.511  4.00 144.8      1     97.797/    97.797
          118.2  154.8  330.8
   3       51.9   24.9  151.8     88.131  3.96 135.7      9     94.941/    94.941
          128.1  155.1  331.8
   #SITES = 294: OUTPUT TRUNCATED TO 3 SITES

-------------------------
ROTATION FUNCTION #3 OF 8
-------------------------

   Search Ensemble: helix_pdb

   ANNOTATION:  RFZ=4.6 TFZ=3.6 PAK=0 LLG=59
   Sampling:  9.05 degrees

   SOLU SET  RFZ=4.6 TFZ=3.6 PAK=0 LLG=59
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  273.2   35.5  137.9 FRAC -0.12  0.04 -0.40 BFAC -8.74

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 23 threads.
   Elmn Calculation for Data
   0%                       100%
   |=========================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 23 threads.
   Clmn Calculation
   0% 100%
   |==| DONE

   Helix for model: cluster angle reduced
   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 52.5% of top
   There were 519 sites over 52.5% of top
   519 peaks selected
   The sites over 52.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       65.1   29.9  146.5    100.000  4.45
   2       61.8   25.2  150.8     99.757  4.44
   3      238.5   34.6  163.9     98.565  4.39
   #Sites = 519: output truncated to 3 sites

   Top 519 rotations before clustering will be rescored
   Spreading calculation onto 23 threads
   Calculating Likelihood for RF #3 of 8
   0%                      100%
   |========================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 23 threads
   Generating Statistics for RF #3 of 8
   0%                     100%
   |=======================| DONE

   Highest Score (Z-score):  88.246   ( 4.17)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 289 sites over 60% of top
   The sites over 60% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      260.3   25.9  169.4     88.246  4.17   0.0      1     86.364/    86.364
          279.7  154.1  349.4
   2       61.8   25.2  150.8     87.452  4.09 144.8      1     99.757/    99.757
          118.2  154.8  330.8
   3      154.7   35.4  158.0     86.573  3.99 115.7      1     97.293/    97.293
           25.3  144.6  338.0
   #SITES = 289: OUTPUT TRUNCATED TO 3 SITES

-------------------------
ROTATION FUNCTION #4 OF 8
-------------------------

   Search Ensemble: helix_pdb

   ANNOTATION:  RFZ=4.5 TFZ=4.1 PAK=0 LLG=58
   Sampling:  9.05 degrees

   SOLU SET  RFZ=4.5 TFZ=4.1 PAK=0 LLG=58
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  316.1   42.2  152.6 FRAC -0.28 -0.52 -0.18 BFAC -8.97

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 23 threads.
   Elmn Calculation for Data
   0%                       100%
   |=========================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 23 threads.
   Clmn Calculation
   0% 100%
   |==| DONE

   Helix for model: cluster angle reduced
   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 52.5% of top
   There were 428 sites over 52.5% of top
   428 peaks selected
   The sites over 52.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       65.1   29.9  146.5    100.000  4.64
   2       61.8   25.2  150.8     97.518  4.53
   3      144.5   34.2  148.9     97.239  4.52
   #Sites = 428: output truncated to 3 sites

   Top 428 rotations before clustering will be rescored
   Spreading calculation onto 23 threads
   Calculating Likelihood for RF #4 of 8
   0%                  100%
   |====================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 23 threads
   Generating Statistics for RF #4 of 8
   0%                     100%
   |=======================| DONE

   Highest Score (Z-score):  88.488   ( 4.24)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 253 sites over 60% of top
   The sites over 60% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      260.3   25.9  169.4     88.488  4.24   0.0      1     85.608/    85.608
          279.7  154.1  349.4
   2       61.8   25.2  150.8     88.349  4.23 144.8      1     97.518/    97.518
          118.2  154.8  330.8
   3       51.9   24.9  151.8     87.107  4.09 135.7      7     93.078/    93.078
          128.1  155.1  331.8
   #SITES = 253: OUTPUT TRUNCATED TO 3 SITES

-------------------------
ROTATION FUNCTION #5 OF 8
-------------------------

   Search Ensemble: helix_pdb

   ANNOTATION:  RFZ=4.5 TFZ=3.7 PAK=0 LLG=58
   Sampling:  9.05 degrees

   SOLU SET  RFZ=4.5 TFZ=3.7 PAK=0 LLG=58
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  326.8   35.2  137.6 FRAC  0.13 -0.05 -0.10 BFAC -9.63

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 23 threads.
   Elmn Calculation for Data
   0%                       100%
   |=========================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 23 threads.
   Clmn Calculation
   0% 100%
   |==| DONE

   Helix for model: cluster angle reduced
   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 52.5% of top
   There were 548 sites over 52.5% of top
   548 peaks selected
   The sites over 52.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       65.1   29.9  146.5    100.000  4.50
   2       61.8   25.2  150.8     98.795  4.45
   3      331.4   26.3  160.8     95.469  4.30
   #Sites = 548: output truncated to 3 sites

   Top 548 rotations before clustering will be rescored
   Spreading calculation onto 23 threads
   Calculating Likelihood for RF #5 of 8
   0%                       100%
   |=========================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 23 threads
   Generating Statistics for RF #5 of 8
   0%                     100%
   |=======================| DONE

   Highest Score (Z-score):  87.185   ( 4.26)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 293 sites over 60% of top
   The sites over 60% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      260.3   25.9  169.4     87.185  4.26   0.0      1     87.237/    87.237
          279.7  154.1  349.4
   2       61.8   25.2  150.8     85.776  4.10 144.8      1     98.795/    98.795
          118.2  154.8  330.8
   3      254.3   27.7  166.2     84.383  3.95   9.2      1     85.531/    85.531
          285.7  152.3  346.2
   #SITES = 293: OUTPUT TRUNCATED TO 3 SITES

-------------------------
ROTATION FUNCTION #6 OF 8
-------------------------

   Search Ensemble: helix_pdb

   ANNOTATION:  RFZ=4.6 TFZ=3.4 PAK=0 LLG=58
   Sampling:  9.05 degrees

   SOLU SET  RFZ=4.6 TFZ=3.4 PAK=0 LLG=58
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  124.5   28.2  182.8 FRAC -0.17 -0.02 -0.49 BFAC -9.05

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 23 threads.
   Elmn Calculation for Data
   0%                       100%
   |=========================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 23 threads.
   Clmn Calculation
   0% 100%
   |==| DONE

   Helix for model: cluster angle reduced
   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 52.5% of top
   There were 485 sites over 52.5% of top
   485 peaks selected
   The sites over 52.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       65.1   29.9  146.5    100.000  4.51
   2       61.8   25.2  150.8     99.625  4.49
   3      331.4   26.3  160.8     98.902  4.46
   #Sites = 485: output truncated to 3 sites

   Top 485 rotations before clustering will be rescored
   Spreading calculation onto 23 threads
   Calculating Likelihood for RF #6 of 8
   0%                     100%
   |=======================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 23 threads
   Generating Statistics for RF #6 of 8
   0%                     100%
   |=======================| DONE

   Highest Score (Z-score):  85.324   ( 4.07)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 286 sites over 60% of top
   The sites over 60% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      260.3   25.9  169.4     85.324  4.07   0.0      1     84.534/    84.534
          279.7  154.1  349.4
   2       61.8   25.2  150.8     85.156  4.05 144.8      1     99.625/    99.625
          118.2  154.8  330.8
   3      330.4   24.0  161.8     84.375  3.96  63.4      6     97.555/    98.902
          209.6  156.0  341.8
   #SITES = 286: OUTPUT TRUNCATED TO 3 SITES

-------------------------
ROTATION FUNCTION #7 OF 8
-------------------------

   Search Ensemble: helix_pdb

   ANNOTATION:  RFZ=4.6 TFZ=3.2 PAK=0 LLG=57
   Sampling:  9.05 degrees

   SOLU SET  RFZ=4.6 TFZ=3.2 PAK=0 LLG=57
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  122.2   28.7  181.6 FRAC -0.43  0.49 -0.50 BFAC -9.06

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 23 threads.
   Elmn Calculation for Data
   0%                       100%
   |=========================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 23 threads.
   Clmn Calculation
   0% 100%
   |==| DONE

   Helix for model: cluster angle reduced
   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 52.5% of top
   There were 489 sites over 52.5% of top
   489 peaks selected
   The sites over 52.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       65.1   29.9  146.5    100.000  4.62
   2       61.8   25.2  150.8     98.793  4.57
   3      331.4   26.3  160.8     95.728  4.43
   #Sites = 489: output truncated to 3 sites

   Top 489 rotations before clustering will be rescored
   Spreading calculation onto 23 threads
   Calculating Likelihood for RF #7 of 8
   0%                     100%
   |=======================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 23 threads
   Generating Statistics for RF #7 of 8
   0%                     100%
   |=======================| DONE

   Highest Score (Z-score):  87.086   ( 4.25)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 264 sites over 60% of top
   The sites over 60% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       61.8   25.2  150.8     87.086  4.25   0.0      1     98.793/    98.793
          118.2  154.8  330.8
   2       51.9   24.9  151.8     85.871  4.12   9.0      8     95.586/    95.586
          128.1  155.1  331.8
   3      260.3   25.9  169.4     85.828  4.11 144.8      1     80.314/    80.314
          279.7  154.1  349.4
   #SITES = 264: OUTPUT TRUNCATED TO 3 SITES

-------------------------
ROTATION FUNCTION #8 OF 8
-------------------------

   Search Ensemble: helix_pdb

   ANNOTATION:  RFZ=4.4 TFZ=4.4 PAK=0 LLG=55
   Sampling:  9.05 degrees

   SOLU SET  RFZ=4.4 TFZ=4.4 PAK=0 LLG=55
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  308.4   38.5  146.3 FRAC -0.23  0.02 -0.19 BFAC -6.83

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 23 threads.
   Elmn Calculation for Data
   0%                       100%
   |=========================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 23 threads.
   Clmn Calculation
   0% 100%
   |==| DONE

   Helix for model: cluster angle reduced
   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 52.5% of top
   There were 475 sites over 52.5% of top
   475 peaks selected
   The sites over 52.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       65.1   29.9  146.5    100.000  4.47
   2       61.8   25.2  150.8     98.468  4.40
   3      238.5   34.6  163.9     97.811  4.37
   #Sites = 475: output truncated to 3 sites

   Top 475 rotations before clustering will be rescored
   Spreading calculation onto 23 threads
   Calculating Likelihood for RF #8 of 8
   0%                    100%
   |======================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 23 threads
   Generating Statistics for RF #8 of 8
   0%                     100%
   |=======================| DONE

   Highest Score (Z-score):  83.588   ( 4.01)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 288 sites over 60% of top
   The sites over 60% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      260.3   25.9  169.4     83.588  4.01   0.0      1     86.227/    86.227
          279.7  154.1  349.4
   2       61.8   25.2  150.8     83.306  3.98 144.8      1     98.468/    98.468
          118.2  154.8  330.8
   3       81.5   25.9  148.9     82.301  3.88 162.8      7     86.505/    86.505
           98.5  154.1  328.9
   #SITES = 288: OUTPUT TRUNCATED TO 3 SITES

   Rotation Function Results
   Top1: ENSEMBLE helix_pdb EULER 61.810 25.190 150.758 RF=92.0 RFZ=4.10

   Rotation Function Table: helix_pdb
   ----------------------------------
   (Z-scores from Fast Rotation Function)
   #SET        Top    (Z)      Second    (Z)       Third    (Z)
   1         92.04   4.10       92.04   4.10       91.35   4.03
   2         88.56   4.01       88.51   4.00       88.13   3.96
   3         88.25   4.17       87.45   4.09       86.57   3.99
   4         88.49   4.24       88.35   4.23       87.11   4.09
   5         87.18   4.26       85.78   4.10       84.38   3.95
   6         85.32   4.07       85.16   4.05       84.37   3.96
   7         87.09   4.25       85.87   4.12       85.83   4.11
   8         83.59   4.01       83.31   3.98       82.30   3.88

---------------
FINAL SELECTION
---------------

   Select by Percentage of Top value: 75%
   Top RF = 92.045
   Purge RF mean = 49.176
   Number of sets stored before final selection = 8
   Number of solutions stored before final selection = 2260
   Number of sets stored (deleted) after final selection = 8 (0)
   Number of solutions stored (deleted) after final selection = 1509 (751)
   Percent used for purge = 60.000%
      Includes deep search down percent = 15%
      Number of solutions stored above (below) deep threshold = 372 (1137)

   Rotation Function Final Selection Table
   ---------------------------------------
   Rotation list length by SET
   SET#  Start Final Deleted Set (*)   Deep: Start Final Deleted Set (*)
      1  106   106         -                 293   293         -
      2  118   66          -                 294   247         -
      3  103   55          -                 289   216         -
      4  96    52          -                 253   195         -
      5  95    34          -                 293   173         -
      6  105   22          -                 286   147         -
      7  88    31          -                 264   153         -
      8  109   6           -                 288   85          -
   ALL   820   372                           2260  1509 

------------
OUTPUT FILES
------------

   No files output

CPU Time: 0 days 0 hrs 2 mins 12.86 secs (    132.86 secs)
Finished: Thu Sep 30 04:33:00 2021

******************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT TRANSLATION FUNCTION                    2.8.3 ***
******************************************************************************************

-----------------
TRANSLATIONAL NCS
-----------------

   tNCS not present

-----------------------------
DATA FOR TRANSLATION FUNCTION
-----------------------------

   Outlier Rejection
   -----------------
   No reflections are outliers

   Resolution of All Data (Number):        2.92  48.49 (2447)
   Resolution of Selected Data (Number):   2.92  48.49 (2447)

-------------------
WILSON DISTRIBUTION
-------------------

   Parameters set for Wilson log-likelihood calculation
   E = 0 and variance 1 for each reflection
   Without correction for SigF to the variances,
      Wilson log(likelihood) = - number of acentrics (2035)
                               - half number of centrics (412/2)
                             = -2241
   With correction for SigF,
      Wilson log(likelihood) = -2234.31

----------
ENSEMBLING
----------

   Ensemble Generation
   -------------------
   Resolution of Ensembles: 2.91671
   Scat% Radius Model# Rel-B    RMS   DRMS   VRMS Ensemble                           
    14.1    9.2      1  21.1  0.500  0.000  0.500 helix_pdb                          

   Trace Generation
   ----------------
   Ensemble        Trace-type  Length      Sampling Close-contact
   helix_pdb       all-atom       130          1.50          1.00

-------------------
TRANSLATION PACKING
-------------------

   Translation Packing Cutoff: 50%
   All solutions have been packed

---------------------
TRANSLATION FUNCTIONS
---------------------

   Target Function: FAST LETF1
   Translation Packing Function applied: top peak will pack
   Translation Packing Cutoff: 50%
   Sampling:  0.73 Angstroms

----------------------------
TRANSLATION FUNCTION #1 OF 8
----------------------------

   SOLU SET  RFZ=4.7 TFZ=4.3 PAK=0 LLG=63 TFZ==5.1
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER   34.2   33.1  180.4 FRAC -0.23  0.51 -0.14 BFAC -10.07 #TFZ==5.1
   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   92.0 RFZ  4.10

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   92.0 RFZ  4.10

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.535   25.925  148.923 RF   91.3 RFZ  4.03

   SOLU TRIAL ENSEMBLE helix_pdb EULER   51.869   24.857  151.761 RF   91.3 RFZ  4.02

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   90.6 RFZ  3.94

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   90.2 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   90.2 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   90.0 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   89.9 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   89.8 RFZ  3.86

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.424   24.033  161.846 RF   89.7 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   89.7 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   89.4 RFZ  3.81

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.201   26.601  163.128 RF   89.3 RFZ  3.81

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   89.3 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   89.0 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   88.9 RFZ  3.76

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   88.8 RFZ  3.76

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   88.8 RFZ  3.75

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   88.6 RFZ  3.73

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   88.6 RFZ  3.73

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   88.5 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   88.3 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   88.2 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   88.1 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   88.1 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   87.9 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   87.9 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   87.9 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   87.9 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   87.8 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   87.8 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   87.7 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   87.6 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   87.5 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   87.4 RFZ  3.61

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   87.4 RFZ  3.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   87.3 RFZ  3.59

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   87.1 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   86.9 RFZ  3.56

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   86.9 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   86.9 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   86.8 RFZ  3.54

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   86.6 RFZ  3.52

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   86.5 RFZ  3.51

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   86.5 RFZ  3.51

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   86.5 RFZ  3.51

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   86.4 RFZ  3.50

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   86.4 RFZ  3.49

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   86.2 RFZ  3.48

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   86.1 RFZ  3.46

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   86.1 RFZ  3.46

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   85.9 RFZ  3.45

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   85.8 RFZ  3.43

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   85.7 RFZ  3.42

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   85.6 RFZ  3.41

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   85.4 RFZ  3.39

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   85.2 RFZ  3.36

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   85.1 RFZ  3.35

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   85.0 RFZ  3.34

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   85.0 RFZ  3.34

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   84.9 RFZ  3.33

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   84.8 RFZ  3.33

   SOLU TRIAL ENSEMBLE helix_pdb EULER   29.925   26.470  156.022 RF   84.7 RFZ  3.32

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.619   48.334  196.267 RF   84.5 RFZ  3.29

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   84.5 RFZ  3.29

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.203   35.142  161.594 RF   84.4 RFZ  3.28

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   84.4 RFZ  3.28

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   84.3 RFZ  3.27

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   84.3 RFZ  3.27

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   84.3 RFZ  3.27

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   84.2 RFZ  3.26

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.844   29.075  162.258 RF   84.1 RFZ  3.25

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   84.1 RFZ  3.25

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   84.0 RFZ  3.24

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   84.0 RFZ  3.24

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   84.0 RFZ  3.24

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   83.9 RFZ  3.23

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   83.9 RFZ  3.23

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   83.8 RFZ  3.22

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.791   30.761  150.363 RF   83.8 RFZ  3.22

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.453   21.186  136.283 RF   83.7 RFZ  3.21

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.853   49.425  194.168 RF   83.7 RFZ  3.21

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.078   44.065  153.168 RF   83.5 RFZ  3.19

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.561   28.504  159.572 RF   83.4 RFZ  3.18

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.262   28.939  129.773 RF   83.4 RFZ  3.18

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.388   40.196  156.612 RF   83.4 RFZ  3.18

   SOLU TRIAL ENSEMBLE helix_pdb EULER  131.617   36.655  164.234 RF   83.4 RFZ  3.17

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.649   35.266  161.001 RF   83.4 RFZ  3.17

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   83.3 RFZ  3.16

   SOLU TRIAL ENSEMBLE helix_pdb EULER   12.483   21.810  155.358 RF   83.3 RFZ  3.16

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.771   36.460  172.722 RF   83.3 RFZ  3.16

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.526   31.131  133.953 RF   83.1 RFZ  3.14

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.683   28.520  158.446 RF   83.1 RFZ  3.14

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.614   52.183  186.085 RF   83.0 RFZ  3.13

   SOLU TRIAL ENSEMBLE helix_pdb EULER  108.160   30.031  138.942 RF   83.0 RFZ  3.13

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.279   27.013  139.028 RF   83.0 RFZ  3.13

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.047   28.565  158.082 RF   82.9 RFZ  3.12

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.732   40.369  165.315 RF   82.9 RFZ  3.12

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.302   50.743  192.838 RF   82.8 RFZ  3.11

   SOLU TRIAL ENSEMBLE helix_pdb EULER  139.502   30.142  154.811 RF   82.8 RFZ  3.11

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.105   29.162  138.969 RF   82.8 RFZ  3.11

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.275   54.297  181.356 RF   82.7 RFZ  3.10

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   82.7 RFZ  3.10

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.303   26.896  133.601 RF   82.6 RFZ  3.09

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.227   45.283  158.453 RF   82.6 RFZ  3.09

   SOLU TRIAL ENSEMBLE helix_pdb EULER  147.239   28.399  136.646 RF   82.4 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  137.940   55.679  141.632 RF   82.4 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  210.850   39.450  164.662 RF   82.3 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   82.3 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.110   30.878  154.447 RF   82.2 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.705   28.038  181.965 RF   82.2 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   82.174   32.079  212.797 RF   82.2 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   38.861   16.401  156.062 RF   82.1 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.765   26.601  136.983 RF   82.1 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.560   45.317  156.800 RF   82.1 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.306   29.978  154.977 RF   82.0 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  193.405   46.199  192.801 RF   82.0 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.182   36.981  179.693 RF   82.0 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.581   30.297  164.048 RF   81.9 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.278   40.307  158.593 RF   81.9 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.791   32.132  146.853 RF   81.9 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   81.9 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.387   20.578  161.440 RF   81.9 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.760   41.761  152.978 RF   81.9 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.862   32.433  178.320 RF   81.8 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  353.579   30.665  168.047 RF   81.7 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.674   29.315  136.354 RF   81.7 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  218.966   34.600  185.712 RF   81.7 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   81.7 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   49.289   33.293  141.902 RF   81.7 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.768   30.768  159.195 RF   81.7 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.500   39.817  171.071 RF   81.7 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   88.596   14.547  113.772 RF   81.7 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  182.024   40.582  148.556 RF   81.6 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   14.334   23.518  135.651 RF   81.5 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  228.515   25.247  221.999 RF   81.5 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  214.423   56.768  173.963 RF   81.5 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.583   40.879  160.397 RF   81.4 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.350   24.444   96.617 RF   81.3 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   25.214   19.891  151.386 RF   81.3 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.138   25.215  134.276 RF   81.3 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.820   38.127  146.797 RF   81.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.743   34.377  143.791 RF   81.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   26.727   22.173  134.486 RF   81.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.257   30.048  168.017 RF   81.2 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  261.465   30.958  211.704 RF   81.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.974   29.645  155.250 RF   81.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  191.680   46.966  185.047 RF   81.1 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  177.081   30.634  164.104 RF   81.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  251.757   23.300  178.313 RF   81.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.474   32.698  151.429 RF   81.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.296   30.768  159.195 RF   81.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  301.686   18.210  172.997 RF   81.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  233.342   30.768  159.195 RF   80.9 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  120.330   37.137  144.780 RF   80.9 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  201.232   44.691  195.382 RF   80.8 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.308   53.759  154.829 RF   80.8 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.224   25.260  140.714 RF   80.8 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.828   31.579  154.758 RF   80.7 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  247.473   49.991  190.954 RF   80.7 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  273.241   25.466  218.527 RF   80.7 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  186.873   43.841  170.156 RF   80.5 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.057   41.618  149.304 RF   80.5 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  116.193   13.908   85.859 RF   80.5 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  323.822   26.217  181.423 RF   80.5 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  237.787   44.836  165.264 RF   80.4 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  212.936   41.167  203.145 RF   80.4 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  249.985    7.323  233.307 RF   80.3 RFZ  2.84 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.463   11.731  223.636 RF   80.3 RFZ  2.84 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.335   58.354  154.199 RF   80.2 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.893   24.939  180.164 RF   80.2 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   17.831   18.414  140.969 RF   80.2 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.876   44.557  156.213 RF   80.2 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.392   19.880  167.093 RF   80.2 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  235.281   18.530  222.803 RF   80.1 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.035   34.851  174.050 RF   80.1 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.095   20.634  108.809 RF   80.1 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.460   21.314  150.409 RF   80.0 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  187.914   33.960  177.620 RF   80.0 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  305.879   28.560   99.448 RF   80.0 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  327.778   16.454  154.763 RF   79.9 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  107.121   15.923  103.954 RF   79.9 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.722   30.768  159.195 RF   79.9 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  270.077   26.844  178.929 RF   79.9 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.664   28.496  175.086 RF   79.8 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.480   30.768  159.195 RF   79.8 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.483   42.272  158.790 RF   79.8 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.724    9.032  130.621 RF   79.8 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.036   32.648  147.192 RF   79.8 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.762   31.367  167.872 RF   79.8 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   78.454   33.718  128.610 RF   79.6 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   39.722   18.231  145.587 RF   79.6 RFZ  2.76 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.414    5.368  211.612 RF   79.6 RFZ  2.76 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.287   26.641  100.429 RF   79.6 RFZ  2.76 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.664   23.050  182.201 RF   79.5 RFZ  2.76 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.299   19.821  136.813 RF   79.4 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  346.738   19.547  178.670 RF   79.4 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  167.554   53.753  165.358 RF   79.4 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  167.913   39.885  143.186 RF   79.4 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  171.632   44.458  159.325 RF   79.4 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.279   48.442  147.730 RF   79.3 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.443   43.194  171.864 RF   79.3 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    2.250   24.787  138.003 RF   79.3 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.170   40.468  144.627 RF   79.3 RFZ  2.73 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.724   13.530   93.504 RF   79.2 RFZ  2.73 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  309.155   23.841  175.706 RF   79.2 RFZ  2.72 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  245.347   32.164  155.672 RF   79.1 RFZ  2.72 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  292.600   27.121  184.996 RF   79.1 RFZ  2.72 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.868   17.129  138.121 RF   79.1 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  109.395   40.969  157.891 RF   79.1 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.049   35.847  175.245 RF   79.0 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  230.234   50.904  176.489 RF   79.0 RFZ  2.70 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.480   24.023  131.089 RF   79.0 RFZ  2.70 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  200.885   37.243  147.962 RF   79.0 RFZ  2.70 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  278.572   30.768  159.195 RF   78.9 RFZ  2.70 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.242   27.811  147.025 RF   78.9 RFZ  2.69 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.664   30.768  159.195 RF   78.9 RFZ  2.69 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  205.761   41.527  180.889 RF   78.8 RFZ  2.69 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  199.461   39.034  167.248 RF   78.8 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   18.341   30.410  143.145 RF   78.8 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.583   29.426  173.150 RF   78.8 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.059   39.286  172.292 RF   78.7 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  359.138   23.339  175.345 RF   78.7 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  215.092   52.358  172.249 RF   78.7 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  159.766   34.093  132.723 RF   78.7 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.749   32.036  139.851 RF   78.6 RFZ  2.66 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  205.995   55.362  156.266 RF   78.6 RFZ  2.66 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.109   33.304  152.137 RF   78.6 RFZ  2.66 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.169   32.279  155.943 RF   78.5 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  338.494   31.758  176.517 RF   78.5 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.946   24.365  161.788 RF   78.5 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  216.502   28.412  146.594 RF   78.5 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.592   42.873  152.005 RF   78.5 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  180.647   53.219  173.617 RF   78.5 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  100.219   21.636  148.565 RF   78.4 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.618   30.768  159.195 RF   78.4 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  109.534   18.020  110.510 RF   78.4 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.488   35.661  216.142 RF   78.4 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  148.402   38.491  144.073 RF   78.4 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   46.892   28.603  167.417 RF   78.3 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  184.248   45.530  146.855 RF   78.3 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.820   37.772  178.440 RF   78.3 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  137.708   19.211   82.017 RF   78.3 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   85.319   24.505  101.394 RF   78.3 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   21.642   36.352  153.484 RF   78.3 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.302   26.056  178.161 RF   78.3 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.968   41.276  171.853 RF   78.2 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.201   37.089  156.639 RF   78.2 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.311   43.587  168.237 RF   78.2 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.507   44.542  160.874 RF   78.2 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.021   47.206  198.816 RF   78.2 RFZ  2.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    7.035   35.908  152.205 RF   78.2 RFZ  2.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  334.249   37.540  157.424 RF   78.1 RFZ  2.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.349   34.097  182.439 RF   78.1 RFZ  2.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  312.617   35.970  173.606 RF   78.1 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  200.501   39.003  204.210 RF   78.0 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.930   43.233  153.410 RF   78.0 RFZ  2.59 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  325.907   37.435  156.554 RF   77.9 RFZ  2.59 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.075   48.825  125.702 RF   77.9 RFZ  2.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   78.884   19.011  132.783 RF   77.8 RFZ  2.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  283.334    5.776  208.816 RF   77.8 RFZ  2.57 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  258.340   41.841  197.962 RF   77.7 RFZ  2.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  274.412   29.322  185.075 RF   77.7 RFZ  2.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.077   32.635  209.533 RF   77.6 RFZ  2.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  309.154    9.012  183.123 RF   77.6 RFZ  2.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  223.672   39.646  202.230 RF   77.6 RFZ  2.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.129   11.878  183.406 RF   77.6 RFZ  2.55 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.323   24.669  141.232 RF   77.5 RFZ  2.55 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.829   11.489  197.872 RF   77.5 RFZ  2.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  359.706   33.033  159.523 RF   77.4 RFZ  2.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  137.842   32.059  167.509 RF   77.4 RFZ  2.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  247.179   41.198  187.738 RF   77.4 RFZ  2.53 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   15.489   12.042  160.765 RF   77.4 RFZ  2.53 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  253.287   30.342  146.391 RF   77.3 RFZ  2.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  279.689   26.024  178.281 RF   77.3 RFZ  2.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  339.282   19.463  161.916 RF   77.3 RFZ  2.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.161   49.159  155.492 RF   77.2 RFZ  2.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  142.833   27.362  131.753 RF   77.2 RFZ  2.51 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.455   46.601  141.028 RF   77.0 RFZ  2.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.145   32.296  186.766 RF   77.0 RFZ  2.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.617    8.605  197.042 RF   77.0 RFZ  2.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  141.369   61.887  148.003 RF   77.0 RFZ  2.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  277.591   30.448  204.591 RF   76.9 RFZ  2.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.687   43.189  184.295 RF   76.9 RFZ  2.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.392   32.726  161.404 RF   76.9 RFZ  2.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  167.053   44.483  143.665 RF   76.9 RFZ  2.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  236.553   23.205  184.621 RF   76.9 RFZ  2.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.885   20.049  142.016 RF   76.8 RFZ  2.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.150   30.735  150.055 RF   76.8 RFZ  2.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.996   49.044  164.605 RF   76.8 RFZ  2.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.632   23.111  140.179 RF   76.8 RFZ  2.46 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  234.049   22.834  148.435 RF   76.8 RFZ  2.46 # DEEP

   This TF set has 293 trial orientations

   #    Euler                  Rot-LLG      RF     RFZ  Ensemble
   1      61.8   25.2  150.8      34.7    92.0     4.1 helix_pdb
   2     260.3   25.9  169.4      34.2    92.0     4.1 helix_pdb
   3      81.5   25.9  148.9      33.6    91.3     4.0 helix_pdb
   4      51.9   24.9  151.8      32.6    91.3     4.0 helix_pdb
   5     154.7   35.4  158.0      34.6    90.6     3.9 helix_pdb
   6      65.1   29.9  146.5      31.8    90.2     3.9 helix_pdb
   7     311.9   26.5  162.4      33.2    90.2     3.9 helix_pdb
   8     144.5   34.2  148.9      32.6    90.0     3.9 helix_pdb
   9     254.3   27.7  166.2      34.3    89.9     3.9 helix_pdb
   10     68.5   27.2  153.3      34.9    89.8     3.9 helix_pdb
   11    330.4   24.0  161.8      30.9    89.7     3.9 helix_pdb
   12     95.2   25.2  143.9      31.6    89.7     3.8 helix_pdb
   13    130.9   39.3  153.8      28.7    89.4     3.8 helix_pdb
   14    302.2   26.6  163.1      32.9    89.3     3.8 helix_pdb
   15    138.4   28.8  146.0      33.9    89.3     3.8 helix_pdb
   16    119.8   27.8  146.6      33.8    89.0     3.8 helix_pdb
   17     66.9   34.6  143.2      30.8    88.9     3.8 helix_pdb
   18    105.0   25.8  143.1      31.7    88.8     3.8 helix_pdb
   19     41.8   24.6  152.9      30.0    88.8     3.8 helix_pdb
   20    240.9   26.8  170.8      31.4    88.6     3.7 helix_pdb
   21    136.3   40.2  158.3      29.1    88.6     3.7 helix_pdb
   22    332.6   27.0  170.3      29.5    88.5     3.7 helix_pdb
   23    266.4   24.0  172.4      29.2    88.3     3.7 helix_pdb
   24    179.4   35.7  151.0      30.3    88.2     3.7 helix_pdb
   25     98.1   38.3  149.4      29.7    88.1     3.7 helix_pdb
   26    114.5   26.4  142.5      31.1    88.1     3.7 helix_pdb
   27     89.7   37.8  148.5      30.5    87.9     3.7 helix_pdb
   28    238.5   34.6  163.9      30.9    87.9     3.7 helix_pdb
   29    290.4   33.1  166.7      32.7    87.9     3.7 helix_pdb
   30    125.0   29.0  150.7      35.5    87.9     3.7 helix_pdb
   31    231.2   27.3  171.5      32.0    87.8     3.6 helix_pdb
   32     56.3   20.6  156.8      29.4    87.8     3.6 helix_pdb
   33     72.9   36.8  146.8      31.5    87.7     3.6 helix_pdb
   34    281.6   33.4  166.5      31.9    87.6     3.6 helix_pdb
   35    114.5   38.8  151.6      28.3    87.5     3.6 helix_pdb
   36    243.8   38.1  168.7      26.7    87.4     3.6 helix_pdb
   37      1.1   24.0  157.9      28.1    87.4     3.6 helix_pdb
   38    133.6   27.8  141.5      29.9    87.3     3.6 helix_pdb
   39    350.9   26.2  159.2      29.8    87.1     3.6 helix_pdb
   40     86.2   34.2  153.4      34.8    86.9     3.6 helix_pdb
   41    286.9   23.0  169.8      26.5    86.9     3.6 helix_pdb
   42    161.0   30.0  141.4      32.9    86.9     3.5 helix_pdb
   43    170.1   30.7  141.5      33.6    86.8     3.5 helix_pdb
   44    351.9   21.7  148.5      27.6    86.6     3.5 helix_pdb
   45    226.1   28.7  167.3      33.5    86.5     3.5 helix_pdb
   46    331.0   25.5  151.2      32.2    86.5     3.5 helix_pdb
   47    316.8   32.1  167.6      32.9    86.5     3.5 helix_pdb
   48     10.7   27.0  148.4      31.0    86.4     3.5 helix_pdb
   49    168.8   39.9  163.1      26.6    86.4     3.5 helix_pdb
   50    276.5   23.5  171.3      26.8    86.2     3.5 helix_pdb
   51    246.3   25.1  174.6      26.8    86.1     3.5 helix_pdb
   52    322.8   28.6  160.3      32.4    86.1     3.5 helix_pdb
   53    168.9   35.3  142.5      26.6    85.9     3.4 helix_pdb
   54     94.9   34.5  153.8      33.0    85.8     3.4 helix_pdb
   55    248.3   29.3  162.7      31.8    85.7     3.4 helix_pdb
   56    188.5   36.1  151.9      27.7    85.6     3.4 helix_pdb
   57    296.4   20.6  159.3      26.0    85.4     3.4 helix_pdb
   58     27.1   27.8  147.5      28.6    85.2     3.4 helix_pdb
   59    219.0   39.2  165.8      25.4    85.1     3.4 helix_pdb
   60    232.6   37.5  171.1      23.6    85.0     3.3 helix_pdb
   61    152.6   30.0  150.4      34.1    85.0     3.3 helix_pdb
   62     30.4   24.9  165.3      31.0    84.9     3.3 helix_pdb
   63    285.3   35.8  173.3      25.2    84.8     3.3 helix_pdb
   64     29.9   26.5  156.0      28.5    84.7     3.3 helix_pdb
   65    242.6   48.3  196.3      20.3    84.5     3.3 helix_pdb
   66    302.5   34.5  174.6      26.4    84.5     3.3 helix_pdb
   67    204.2   35.1  161.6      26.7    84.4     3.3 helix_pdb
   68    260.3   37.3  170.7      24.9    84.4     3.3 helix_pdb
   69    163.6   40.0  158.2      24.4    84.3     3.3 helix_pdb
   70    221.3   35.0  162.8      26.9    84.3     3.3 helix_pdb
   71    217.5   27.2  176.3      28.8    84.3     3.3 helix_pdb
   72    155.4   40.0  157.0      25.1    84.2     3.3 helix_pdb
   73    266.8   29.1  162.3      30.1    84.1     3.3 helix_pdb
   74    248.5   40.7  162.8      24.9    84.1     3.2 helix_pdb
   75    335.6   60.2  153.7      26.8    84.0     3.2 helix_pdb
   76    174.8   35.2  168.2      28.6    84.0     3.2 helix_pdb
   77    165.5   35.6  167.6      28.7    84.0     3.2 helix_pdb
   78     10.9   21.0  165.8      24.3    83.9     3.2 helix_pdb
   79     60.8   26.6  129.6      23.4    83.9     3.2 helix_pdb
   80    352.1   21.6  169.2      23.2    83.8     3.2 helix_pdb
   81    170.8   30.8  150.4      32.5    83.8     3.2 helix_pdb
   82     84.5   21.2  136.3      21.9    83.7     3.2 helix_pdb
   83     55.9   49.4  194.2      23.3    83.7     3.2 helix_pdb
   84    140.1   44.1  153.2      21.0    83.5     3.2 helix_pdb
   85    341.6   28.5  159.6      29.5    83.4     3.2 helix_pdb
   86     79.3   28.9  129.8      22.7    83.4     3.2 helix_pdb
   87    183.4   40.2  156.6      23.4    83.4     3.2 helix_pdb
   88    131.6   36.7  164.2      29.8    83.4     3.2 helix_pdb
   89    195.6   35.3  161.0      26.1    83.4     3.2 helix_pdb
   90     42.6   32.8  151.2      33.7    83.3     3.2 helix_pdb
   91     12.5   21.8  155.4      22.5    83.3     3.2 helix_pdb
   92    276.8   36.5  172.7      23.9    83.3     3.2 helix_pdb
   93     84.5   31.1  134.0      22.2    83.1     3.1 helix_pdb
   94      9.7   28.5  158.4      29.2    83.1     3.1 helix_pdb
   95    232.6   52.2  186.1      18.1    83.0     3.1 helix_pdb
   96    108.2   30.0  138.9      22.1    83.0     3.1 helix_pdb
   97     31.3   27.0  139.0      26.0    83.0     3.1 helix_pdb
   98     19.0   28.6  158.1      29.3    82.9     3.1 helix_pdb
   99    264.7   40.4  165.3      24.4    82.9     3.1 helix_pdb
   100   194.3   50.7  192.8      18.9    82.8     3.1 helix_pdb
   101   139.5   30.1  154.8      33.1    82.8     3.1 helix_pdb
   102    99.1   29.2  139.0      22.3    82.8     3.1 helix_pdb
   103   227.3   54.3  181.4      17.4    82.7     3.1 helix_pdb
   104   224.3   30.8  179.4      23.4    82.7     3.1 helix_pdb
   105    47.3   26.9  133.6      23.3    82.6     3.1 helix_pdb
   106   206.2   45.3  158.5      20.4    82.6     3.1 helix_pdb
   ----- angles below here for deep search only -----
   107   147.2   28.4  136.6      24.9    82.4     3.1 helix_pdb
   108   137.9   55.7  141.6      17.0    82.4     3.1 helix_pdb
   109   210.9   39.5  164.7      21.8    82.3     3.1 helix_pdb
   110    35.0   58.5  174.9      23.5    82.3     3.1 helix_pdb
   111   176.1   30.9  154.4      31.1    82.2     3.0 helix_pdb
   112   304.7   28.0  182.0      22.3    82.2     3.0 helix_pdb
   113    82.2   32.1  212.8      23.4    82.2     3.0 helix_pdb
   114    38.9   16.4  156.1      21.0    82.1     3.0 helix_pdb
   115   128.8   26.6  137.0      23.1    82.1     3.0 helix_pdb
   116   197.6   45.3  156.8      21.1    82.1     3.0 helix_pdb
   117   130.3   30.0  155.0      32.3    82.0     3.0 helix_pdb
   118   193.4   46.2  192.8      16.7    82.0     3.0 helix_pdb
   119   206.2   37.0  179.7      21.0    82.0     3.0 helix_pdb
   120   192.6   30.3  164.0      31.6    81.9     3.0 helix_pdb
   121   197.3   40.3  158.6      21.9    81.9     3.0 helix_pdb
   122   194.8   32.1  146.9      32.6    81.9     3.0 helix_pdb
   123   207.9   27.9  176.7      27.6    81.9     3.0 helix_pdb
   124   285.4   20.6  161.4      23.7    81.9     3.0 helix_pdb
   125   209.8   41.8  153.0      23.1    81.9     3.0 helix_pdb
   126   206.9   32.4  178.3      22.1    81.8     3.0 helix_pdb
   127   353.6   30.7  168.0      32.6    81.7     3.0 helix_pdb
   128   156.7   29.3  136.4      24.9    81.7     3.0 helix_pdb
   129   219.0   34.6  185.7      20.5    81.7     3.0 helix_pdb
   130   207.4   29.4  167.8      30.0    81.7     3.0 helix_pdb
   131    49.3   33.3  141.9      26.0    81.7     3.0 helix_pdb
   132   153.8   30.8  159.2      30.6    81.7     3.0 helix_pdb
   133   174.5   39.8  171.1      21.4    81.7     3.0 helix_pdb
   134    88.6   14.5  113.8      18.9    81.7     3.0 helix_pdb
   135   182.0   40.6  148.6      21.4    81.6     3.0 helix_pdb
   136    14.3   23.5  135.7      21.4    81.5     3.0 helix_pdb
   137   228.5   25.2  222.0      17.0    81.5     3.0 helix_pdb
   138   214.4   56.8  174.0      18.3    81.5     3.0 helix_pdb
   139   125.6   40.9  160.4      24.1    81.4     3.0 helix_pdb
   140   300.4   24.4   96.6      23.3    81.3     3.0 helix_pdb
   141    25.2   19.9  151.4      19.1    81.3     2.9 helix_pdb
   142    31.1   25.2  134.3      21.7    81.3     2.9 helix_pdb
   143   136.8   38.1  146.8      20.1    81.2     2.9 helix_pdb
   144    37.7   34.4  143.8      29.8    81.2     2.9 helix_pdb
   145    26.7   22.2  134.5      19.5    81.2     2.9 helix_pdb
   146     9.3   30.0  168.0      33.7    81.2     2.9 helix_pdb
   147   261.5   31.0  211.7      16.1    81.1     2.9 helix_pdb
   148   112.0   29.6  155.3      30.9    81.1     2.9 helix_pdb
   149   191.7   47.0  185.0      16.5    81.1     2.9 helix_pdb
   150   177.1   30.6  164.1      31.7    81.0     2.9 helix_pdb
   151   251.8   23.3  178.3      20.9    81.0     2.9 helix_pdb
   152   221.5   32.7  151.4      31.4    81.0     2.9 helix_pdb
   153   224.3   30.8  159.2      30.2    81.0     2.9 helix_pdb
   154   301.7   18.2  173.0      18.1    81.0     2.9 helix_pdb
   155   233.3   30.8  159.2      30.1    80.9     2.9 helix_pdb
   156   120.3   37.1  144.8      19.7    80.9     2.9 helix_pdb
   157   201.2   44.7  195.4      16.6    80.8     2.9 helix_pdb
   158   156.3   53.8  154.8      16.3    80.8     2.9 helix_pdb
   159    52.2   25.3  140.7      20.5    80.8     2.9 helix_pdb
   160   209.8   31.6  154.8      30.3    80.7     2.9 helix_pdb
   161   247.5   50.0  191.0      15.5    80.7     2.9 helix_pdb
   162   273.2   25.5  218.5      16.8    80.7     2.9 helix_pdb
   163   186.9   43.8  170.2      19.6    80.5     2.9 helix_pdb
   164   197.1   41.6  149.3      20.9    80.5     2.9 helix_pdb
   165   116.2   13.9   85.9      16.5    80.5     2.9 helix_pdb
   166   323.8   26.2  181.4      20.0    80.5     2.9 helix_pdb
   167   237.8   44.8  165.3      17.7    80.4     2.9 helix_pdb
   168   212.9   41.2  203.1      17.5    80.4     2.9 helix_pdb
   169   250.0    7.3  233.3      14.5    80.3     2.8 helix_pdb
   170    72.5   11.7  223.6      22.9    80.3     2.8 helix_pdb
   171   156.3   58.4  154.2      16.5    80.2     2.8 helix_pdb
   172   231.9   24.9  180.2      20.6    80.2     2.8 helix_pdb
   173    17.8   18.4  141.0      18.6    80.2     2.8 helix_pdb
   174   155.9   44.6  156.2      18.4    80.2     2.8 helix_pdb
   175   316.4   19.9  167.1      18.7    80.2     2.8 helix_pdb
   176   235.3   18.5  222.8      15.4    80.1     2.8 helix_pdb
   177   179.0   34.9  174.0      23.1    80.1     2.8 helix_pdb
   178   101.1   20.6  108.8      15.6    80.1     2.8 helix_pdb
   179    89.5   21.3  150.4      25.2    80.0     2.8 helix_pdb
   180   187.9   34.0  177.6      21.1    80.0     2.8 helix_pdb
   181   305.9   28.6   99.4      21.4    80.0     2.8 helix_pdb
   182   327.8   16.5  154.8      17.8    79.9     2.8 helix_pdb
   183   107.1   15.9  104.0      14.4    79.9     2.8 helix_pdb
   184   144.7   30.8  159.2      29.4    79.9     2.8 helix_pdb
   185   270.1   26.8  178.9      19.7    79.9     2.8 helix_pdb
   186   350.7   28.5  175.1      25.8    79.8     2.8 helix_pdb
   187   260.5   30.8  159.2      27.1    79.8     2.8 helix_pdb
   188   242.5   42.3  158.8      22.0    79.8     2.8 helix_pdb
   189    63.7    9.0  130.6      16.9    79.8     2.8 helix_pdb
   190   204.0   32.6  147.2      31.3    79.8     2.8 helix_pdb
   191   155.8   31.4  167.9      31.0    79.8     2.8 helix_pdb
   192    78.5   33.7  128.6      17.8    79.6     2.8 helix_pdb
   193    39.7   18.2  145.6      17.6    79.6     2.8 helix_pdb
   194   101.4    5.4  211.6      22.4    79.6     2.8 helix_pdb
   195   136.3   26.6  100.4      14.6    79.6     2.8 helix_pdb
   196   332.7   23.1  182.2      17.8    79.5     2.8 helix_pdb
   197    37.3   19.8  136.8      18.5    79.4     2.7 helix_pdb
   198   346.7   19.5  178.7      17.4    79.4     2.7 helix_pdb
   199   167.6   53.8  165.4      15.8    79.4     2.7 helix_pdb
   200   167.9   39.9  143.2      18.4    79.4     2.7 helix_pdb
   201   171.6   44.5  159.3      18.2    79.4     2.7 helix_pdb
   202   153.3   48.4  147.7      14.8    79.3     2.7 helix_pdb
   203   195.4   43.2  171.9      18.4    79.3     2.7 helix_pdb
   204     2.3   24.8  138.0      22.7    79.3     2.7 helix_pdb
   205   176.2   40.5  144.6      18.7    79.3     2.7 helix_pdb
   206   287.7   13.5   93.5      23.0    79.2     2.7 helix_pdb
   207   309.2   23.8  175.7      18.4    79.2     2.7 helix_pdb
   208   245.3   32.2  155.7      27.9    79.1     2.7 helix_pdb
   209   292.6   27.1  185.0      17.6    79.1     2.7 helix_pdb
   210    55.9   17.1  138.1      17.1    79.1     2.7 helix_pdb
   211   109.4   41.0  157.9      23.2    79.1     2.7 helix_pdb
   212   238.0   35.8  175.2      18.6    79.0     2.7 helix_pdb
   213   230.2   50.9  176.5      14.7    79.0     2.7 helix_pdb
   214    79.5   24.0  131.1      17.4    79.0     2.7 helix_pdb
   215   200.9   37.2  148.0      21.7    79.0     2.7 helix_pdb
   216   278.6   30.8  159.2      27.9    78.9     2.7 helix_pdb
   217   206.2   27.8  147.0      36.0    78.9     2.7 helix_pdb
   218   296.7   30.8  159.2      29.3    78.9     2.7 helix_pdb
   219   205.8   41.5  180.9      15.7    78.8     2.7 helix_pdb
   220   199.5   39.0  167.2      18.9    78.8     2.7 helix_pdb
   221    18.3   30.4  143.1      25.9    78.8     2.7 helix_pdb
   222   192.6   29.4  173.2      26.5    78.8     2.7 helix_pdb
   223   183.1   39.3  172.3      19.1    78.7     2.7 helix_pdb
   224   359.1   23.3  175.3      19.1    78.7     2.7 helix_pdb
   225   215.1   52.4  172.2      15.5    78.7     2.7 helix_pdb
   226   159.8   34.1  132.7      17.6    78.7     2.7 helix_pdb
   227   239.7   32.0  139.9      41.6    78.6     2.7 helix_pdb
   228   206.0   55.4  156.3      13.3    78.6     2.7 helix_pdb
   229   239.1   33.3  152.1      29.0    78.6     2.7 helix_pdb
   230   254.2   32.3  155.9      27.2    78.5     2.7 helix_pdb
   231   338.5   31.8  176.5      25.6    78.5     2.7 helix_pdb
   232   239.9   24.4  161.8      29.8    78.5     2.7 helix_pdb
   233   216.5   28.4  146.6      35.1    78.5     2.7 helix_pdb
   234   219.6   42.9  152.0      18.7    78.5     2.6 helix_pdb
   235   180.6   53.2  173.6      14.5    78.5     2.6 helix_pdb
   236   100.2   21.6  148.6      24.5    78.4     2.6 helix_pdb
   237   287.6   30.8  159.2      28.4    78.4     2.6 helix_pdb
   238   109.5   18.0  110.5      14.2    78.4     2.6 helix_pdb
   239    81.5   35.7  216.1      17.6    78.4     2.6 helix_pdb
   240   148.4   38.5  144.1      17.4    78.4     2.6 helix_pdb
   241    46.9   28.6  167.4      31.9    78.3     2.6 helix_pdb
   242   184.2   45.5  146.9      17.0    78.3     2.6 helix_pdb
   243   197.8   37.8  178.4      17.4    78.3     2.6 helix_pdb
   244   137.7   19.2   82.0      12.9    78.3     2.6 helix_pdb
   245    85.3   24.5  101.4      15.3    78.3     2.6 helix_pdb
   246    21.6   36.4  153.5      35.8    78.3     2.6 helix_pdb
   247   352.3   26.1  178.2      20.4    78.3     2.6 helix_pdb
   248   154.0   41.3  171.9      18.7    78.2     2.6 helix_pdb
   249    56.2   37.1  156.6      34.3    78.2     2.6 helix_pdb
   250   217.3   43.6  168.2      17.1    78.2     2.6 helix_pdb
   251   179.5   44.5  160.9      16.2    78.2     2.6 helix_pdb
   252    30.0   47.2  198.8      18.8    78.2     2.6 helix_pdb
   253     7.0   35.9  152.2      34.6    78.2     2.6 helix_pdb
   254   334.2   37.5  157.4      36.5    78.1     2.6 helix_pdb
   255   231.3   34.1  182.4      17.5    78.1     2.6 helix_pdb
   256   312.6   36.0  173.6      23.0    78.1     2.6 helix_pdb
   257   200.5   39.0  204.2      12.7    78.0     2.6 helix_pdb
   258   227.9   43.2  153.4      18.2    78.0     2.6 helix_pdb
   259   325.9   37.4  156.6      35.8    77.9     2.6 helix_pdb
   260   165.1   48.8  125.7      13.1    77.9     2.6 helix_pdb
   261    78.9   19.0  132.8      14.8    77.8     2.6 helix_pdb
   262   283.3    5.8  208.8      14.2    77.8     2.6 helix_pdb
   263   258.3   41.8  198.0      13.7    77.7     2.6 helix_pdb
   264   274.4   29.3  185.1      17.2    77.7     2.6 helix_pdb
   265   254.1   32.6  209.5      12.4    77.6     2.6 helix_pdb
   266   309.2    9.0  183.1      13.0    77.6     2.6 helix_pdb
   267   223.7   39.6  202.2      12.5    77.6     2.6 helix_pdb
   268   300.1   11.9  183.4      14.0    77.6     2.5 helix_pdb
   269   152.3   24.7  141.2      24.1    77.5     2.5 helix_pdb
   270   276.8   11.5  197.9      12.2    77.5     2.5 helix_pdb
   271   359.7   33.0  159.5      29.0    77.4     2.5 helix_pdb
   272   137.8   32.1  167.5      28.5    77.4     2.5 helix_pdb
   273   247.2   41.2  187.7      14.0    77.4     2.5 helix_pdb
   274    15.5   12.0  160.8      13.7    77.4     2.5 helix_pdb
   275   253.3   30.3  146.4      33.0    77.3     2.5 helix_pdb
   276   279.7   26.0  178.3      17.9    77.3     2.5 helix_pdb
   277   339.3   19.5  161.9      16.4    77.3     2.5 helix_pdb
   278   156.2   49.2  155.5      14.5    77.2     2.5 helix_pdb
   279   142.8   27.4  131.8      17.2    77.2     2.5 helix_pdb
   280   140.5   46.6  141.0      13.2    77.0     2.5 helix_pdb
   281   302.1   32.3  186.8      16.6    77.0     2.5 helix_pdb
   282   332.6    8.6  197.0      10.9    77.0     2.5 helix_pdb
   283   141.4   61.9  148.0      12.0    77.0     2.5 helix_pdb
   284   277.6   30.4  204.6      12.0    76.9     2.5 helix_pdb
   285   231.7   43.2  184.3      13.9    76.9     2.5 helix_pdb
   286    52.4   32.7  161.4      29.2    76.9     2.5 helix_pdb
   287   167.1   44.5  143.7      16.2    76.9     2.5 helix_pdb
   288   236.6   23.2  184.6      16.3    76.9     2.5 helix_pdb
   289   330.9   20.0  142.0      18.1    76.8     2.5 helix_pdb
   290   350.2   30.7  150.1      27.4    76.8     2.5 helix_pdb
   291   177.0   49.0  164.6      13.9    76.8     2.5 helix_pdb
   292   341.6   23.1  140.2      19.9    76.8     2.5 helix_pdb
   293   234.0   22.8  148.4      37.0    76.8     2.5 helix_pdb
      106 trial orientations in initial search
      187 trial orientations in deep search

   Scoring 586 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #1 of 8
   0%            100%
   |==============| DONE

   Mean Score (Sigma):       38.34   (10.81)

   SET #1 of 8 TRIAL #1 of 106
   ---------------------------
   Ensemble helix_pdb Euler  61.81  25.19 150.76 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      10250 peaks
      All peaks checked for packing
      Translation peak 13 first to be kept
      Done

   New Top Packing Fast Translation Function FSS = 101.46 (TFZ=4.4) at Trial #1

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 494 sites over 67.5% of top
   494 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.588  0.003  0.982     101.46  4.42
   2      0.088  0.503  0.982     101.46  4.42
   3      0.410  0.467  0.651     100.00  4.18
   #Sites = 494: output truncated to 3 sites

   Top 494 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #1 of 106
   0%                     100%
   |=======================| DONE

   Packing LLG Translations: pass 1 of 11...
      494 peaks
      2 peaks over 89.6458 checked for packing
      Translation peak 1 first to be kept
      Done
      Exit: found a peak that packs

   New Top (ML) Translation Function LLG = 89.65 (TFZ=3.9) at Trial #1
   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 67 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.831  0.790  0.273     89.646  3.90   0.0      2     98.281/    98.281
   2      0.269  0.956  0.449     87.854  3.94  25.0      6     98.484/    98.484
   3      0.895  0.603  0.444     87.044  4.15   9.5      4     99.773/    99.773
   #SITES = 67: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #2 of 106
   ---------------------------
   Ensemble helix_pdb Euler 260.25  25.95 169.44 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      9888 peaks
      8 peaks over 101.457 checked for packing
      Translation peak 3 first to be kept
      Done

   New Top Packing Fast Translation Function FSS = 103.01 (TFZ=4.7) at Trial #2

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 286 sites over 67.5% of top
   286 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.439  0.020  0.723     103.01  4.73
   2      0.939  0.520  0.723     103.01  4.73
   3      0.286  0.997  0.493     102.89  4.71
   #Sites = 286: output truncated to 3 sites

   Top 286 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #2 of 106
   0%            100%
   |==============| DONE

   Packing LLG Translations: pass 1 of 1...
      286 peaks
      4 peaks over 89.6458 checked for packing
      Translation peak 1 first to be kept
      Done
      Exit: found a peak that packs

   New Top (ML) Translation Function LLG = 93.45 (TFZ=4.5) at Trial #2
   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 40 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.721  0.967  0.506     93.451  4.51   0.0      4     101.72/    102.89
   2      0.939  0.520  0.723     89.016  4.73  18.7      4     103.01/    103.01
   3      0.705  0.458  0.920     88.138  4.47  29.6      6     101.45/    101.45
   #SITES = 40: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #3 of 106
   ---------------------------
   Ensemble helix_pdb Euler  81.53  25.92 148.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 103.01 (TFZ=4.7)
   Current Top (ML) Packing Translation Function LLG = 93.45 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 264 sites over 67.5% of top
   264 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.432  0.961  0.986     101.13  4.52
   2      0.932  0.461  0.986     101.13  4.52
   3      0.384  0.545  0.655     100.72  4.46
   #Sites = 264: output truncated to 3 sites

   Top 264 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #3 of 106
   0%           100%
   |=============| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 49 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.750  0.505  0.452     90.459  3.83   0.0      4     96.812/    96.812
   2      0.381  0.448  0.987     89.838  4.22  22.2      6     99.237/   100.494
   3      0.897  0.497  0.003     88.778  4.32  28.2      6     99.883/    99.883
   #SITES = 49: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #4 of 106
   ---------------------------
   Ensemble helix_pdb Euler  51.87  24.86 151.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 103.01 (TFZ=4.7)
   Current Top (ML) Packing Translation Function LLG = 93.45 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 216 sites over 67.5% of top
   216 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.412  0.403  0.157     102.98  4.93
   2      0.912  0.903  0.157     102.98  4.93
   3      0.416  0.402  0.164     102.53  4.85
   #Sites = 216: output truncated to 3 sites

   Top 216 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #4 of 106
   0%         100%
   |===========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 45 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.416  0.902  0.988     89.960  4.84   0.0      6     102.42/    102.42
   2      0.916  0.902  0.164     87.940  4.85  25.5      4     102.53/    102.98
   3      0.792  0.884  0.998     87.825  4.14  34.3      2      98.18/     98.18
   #SITES = 45: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #5 of 106
   ---------------------------
   Ensemble helix_pdb Euler 154.74  35.36 158.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 103.01 (TFZ=4.7)
   Current Top (ML) Packing Translation Function LLG = 93.45 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 278 sites over 67.5% of top
   278 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.710  0.808  0.763     102.42  4.63
   2      0.210  0.308  0.763     102.42  4.63
   3      0.732  0.485  0.323     102.04  4.57
   #Sites = 278: output truncated to 3 sites

   Top 278 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #5 of 106
   0%            100%
   |==============| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 42 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.727  0.487  0.316     89.252  4.17   0.0      4     99.556/   102.043
   2      0.210  0.308  0.763     88.817  4.63  10.8      4    102.425/   102.425
   3      0.406  0.224  0.262     86.633  4.28  28.2      2    100.257/   100.257
   #SITES = 42: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #6 of 106
   ---------------------------
   Ensemble helix_pdb Euler  65.08  29.91 146.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 103.01 (TFZ=4.7)
   Current Top (ML) Packing Translation Function LLG = 93.45 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 146 sites over 67.5% of top
   146 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.764  0.368  0.440     102.40  4.96
   2      0.264  0.868  0.440     102.40  4.96
   3      0.412  0.867  0.992     100.82  4.71
   #Sites = 146: output truncated to 3 sites

   Top 146 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #6 of 106
   0%      100%
   |========| DONE

   Packing LLG Translations: pass 1 of 1...
      146 peaks
      4 peaks over 93.4507 checked for packing
      Translation peak 1 first to be kept
      Done
      Exit: found a peak that packs

   New Top (ML) Translation Function LLG = 97.91 (TFZ=5.0) at Trial #6
   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.264  0.868  0.440     97.908  4.96   0.0      6     102.40/    102.40
   2      0.412  0.867  0.992     87.799  4.71  28.2      4     100.82/    100.82
   3      0.320  0.309  0.761     86.425  3.82  20.4      4      95.43/     96.28
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #7 of 106
   ---------------------------
   Ensemble helix_pdb Euler 311.90  26.45 162.39 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      9960 peaks
      2 peaks over 103.01 checked for packing
      No translation peaks pack
      Done

   Current Top Packing Fast Translation Function FSS = 103.01 (TFZ=4.7)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 244 sites over 67.5% of top
   244 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.732  0.038  0.414     101.49  4.60
   2      0.232  0.538  0.414     101.49  4.60
   3      0.819  0.548  0.501     101.48  4.60
   #Sites = 244: output truncated to 3 sites

   Top 244 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #7 of 106
   0%          100%
   |============| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.732  0.038  0.414     97.731  4.60   0.0      6     101.49/    101.49
   2      0.397  0.044  0.516     88.298  4.37  15.1      4     100.07/    100.07
   3      0.870  0.012  0.952     87.098  4.35  27.7      4      99.90/    100.95
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #8 of 106
   ---------------------------
   Ensemble helix_pdb Euler 144.54  34.20 148.87 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      10650 peaks
      4 peaks over 103.01 checked for packing
      Translation peak 1 first to be kept
      Done

   New Top Packing Fast Translation Function FSS = 105.36 (TFZ=5.3) at Trial #8

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 112 sites over 67.5% of top
   112 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.728  0.039  0.764     105.36  5.33
   2      0.228  0.539  0.764     105.36  5.33
   3      0.282  0.998  0.684     104.26  5.16
   #Sites = 112: output truncated to 3 sites

   Top 112 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #8 of 106
   0%    100%
   |======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 21 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.782  0.498  0.684     91.502  5.16   0.0      4     104.26/    104.26
   2      0.228  0.539  0.764     91.278  5.33  27.9      4     105.36/    105.36
   3      0.752  0.251  0.290     90.879  4.46  24.1      4      99.90/    101.09
   #SITES = 21: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #9 of 106
   ---------------------------
   Ensemble helix_pdb Euler 254.25  27.73 166.18 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      9510 peaks
      2 peaks over 105.363 checked for packing
      Translation peak 1 first to be kept
      Done

   New Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2) at Trial #9

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 114 sites over 67.5% of top
   114 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.706  0.001  0.502     105.37  5.16
   2      0.206  0.501  0.502     105.37  5.16
   3      0.271  0.031  0.487     105.07  5.11
   #Sites = 114: output truncated to 3 sites

   Top 114 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #9 of 106
   0%    100%
   |======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.706  0.001  0.502     96.832  5.16   0.0      4     105.37/    105.37
   2      0.771  0.531  0.487     91.488  5.11  13.0      4     105.07/    105.07
   3      0.396  0.942  0.160     83.990  4.15  22.1      2      99.15/     99.15
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #10 of 106
   ----------------------------
   Ensemble helix_pdb Euler  68.53  27.20 153.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 188 sites over 67.5% of top
   188 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.811  0.997  0.426     103.41  4.83
   2      0.311  0.497  0.426     103.41  4.83
   3      0.356  0.483  0.538     102.41  4.67
   #Sites = 188: output truncated to 3 sites

   Top 188 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #10 of 106
   0%        100%
   |==========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 38 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.248  0.960  0.443     88.536  4.09   0.0      2     98.761/    98.761
   2      0.811  0.810  0.269     85.846  3.85  22.5      2     97.263/    97.263
   3      0.862  0.440  0.224     83.983  4.31  30.9      4    100.145/   100.145
   #SITES = 38: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #11 of 106
   ----------------------------
   Ensemble helix_pdb Euler 330.42  24.03 161.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 76 sites over 67.5% of top
   76 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.410  0.953  0.479     103.00  5.26
   2      0.910  0.453  0.479     103.00  5.26
   3      0.410  0.583  0.979     102.73  5.22
   #Sites = 76: output truncated to 3 sites

   Top 76 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #11 of 106
   0%   100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 16 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.255  0.580  0.419     94.151  4.53   0.0      2     98.502/    98.502
   2      0.910  0.453  0.479     91.852  5.26  20.3      4    102.997/   102.997
   3      0.608  0.056  0.081     91.349  4.34  27.9      4     97.358/    99.297
   #SITES = 16: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #12 of 106
   ----------------------------
   Ensemble helix_pdb Euler  95.22  25.15 143.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 58 sites over 67.5% of top
   58 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.618  0.420  0.607     99.899  4.73
   2      0.118  0.920  0.607     99.899  4.73
   3      0.384  0.542  0.663     99.321  4.63
   #Sites = 58: output truncated to 3 sites

   Top 58 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #12 of 106
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 16 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.400  0.051  0.538     91.033  4.06   0.0      4     95.908/    95.908
   2      0.884  0.042  0.663     88.010  4.63  20.4      2     99.321/    99.321
   3      0.898  0.540  0.011     87.659  4.28  29.5      2     97.178/    97.178
   #SITES = 16: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #13 of 106
   ----------------------------
   Ensemble helix_pdb Euler 130.85  39.28 153.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.700  0.800  0.642     96.957  4.68
   2      0.200  0.300  0.642     96.957  4.68
   3      0.701  0.343  0.642     95.018  4.35
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #13 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.726  0.955  0.319     86.957  4.28   0.0      2     94.616/    94.616
   2      0.670  0.882  0.196     86.256  4.28   6.2      4     94.584/    94.584
   3      0.700  0.800  0.642     85.615  4.68  22.4      2     96.957/    96.957
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #14 of 106
   ----------------------------
   Ensemble helix_pdb Euler 302.20  26.60 163.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 94 sites over 67.5% of top
   94 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.365  0.487  0.957     100.23  4.57
   2      0.865  0.987  0.957     100.23  4.57
   3      0.805  0.528  0.495     100.02  4.54
   #Sites = 94: output truncated to 3 sites

   Top 94 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #14 of 106
   0%    100%
   |======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 28 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.805  0.528  0.495     88.589  4.54   0.0      2     100.02/    100.02
   2      0.865  0.987  0.957     87.052  4.57  28.3      8     100.23/    100.23
   3      0.910  0.116  0.839     86.345  4.09  19.8      2      97.19/     97.19
   #SITES = 28: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #15 of 106
   ----------------------------
   Ensemble helix_pdb Euler 138.41  28.85 146.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 66 sites over 67.5% of top
   66 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.269  0.624  0.878     102.23  4.92
   2      0.769  0.124  0.878     102.23  4.92
   3      0.274  0.622  0.885     100.93  4.70
   #Sites = 66: output truncated to 3 sites

   Top 66 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #15 of 106
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.774  0.122  0.885     93.307  4.70   0.0      4     100.93/    102.23
   2      0.221  0.626  0.766     87.433  4.58  43.3      4     100.18/    100.18
   3      0.754  0.911  0.293     86.220  3.70  27.6      2      94.84/     94.84
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #16 of 106
   ----------------------------
   Ensemble helix_pdb Euler 119.80  27.80 146.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 86 sites over 67.5% of top
   86 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.292  0.634  0.878     101.85  4.84
   2      0.792  0.134  0.878     101.85  4.84
   3      0.315  0.904  0.936     101.04  4.71
   #Sites = 86: output truncated to 3 sites

   Top 86 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #16 of 106
   0%   100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 22 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.792  0.134  0.878     90.684  4.84   0.0      4     101.85/    101.85
   2      0.012  0.154  0.547     88.170  4.01  33.2      2      96.78/     96.78
   3      0.746  0.134  0.763     87.971  4.22   5.6      2      98.06/     98.06
   #SITES = 22: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #17 of 106
   ----------------------------
   Ensemble helix_pdb Euler  66.88  34.65 143.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 30 sites over 67.5% of top
   30 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.820  0.251  0.301     97.748  4.54
   2      0.320  0.751  0.301     97.748  4.54
   3      0.787  0.333  0.310     96.288  4.29
   #Sites = 30: output truncated to 3 sites

   Top 30 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #17 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.318  0.747  0.298     86.393  4.25   0.0      4     96.078/    97.748
   2      0.430  0.333  0.315     86.325  4.05  13.8      6     94.863/    95.965
   3      0.333  0.303  0.079     84.537  4.13  18.2      4     95.368/    95.368
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #18 of 106
   ----------------------------
   Ensemble helix_pdb Euler 105.00  25.77 143.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 32 sites over 67.5% of top
   32 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.607  0.439  0.608     101.05  5.05
   2      0.107  0.939  0.608     101.05  5.05
   3      0.389  0.079  0.542      98.35  4.59
   #Sites = 32: output truncated to 3 sites

   Top 32 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #18 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.889  0.579  0.542     94.495  4.59   0.0      2     98.346/    98.346
   2      0.760  0.649  0.215     87.569  4.49  16.0      2     97.750/    97.750
   3      0.607  0.439  0.608     87.493  5.05  29.2      2    101.053/   101.053
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #19 of 106
   ----------------------------
   Ensemble helix_pdb Euler  41.80  24.60 152.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 32 sites over 67.5% of top
   32 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.423  0.877  0.989     100.09  4.96
   2      0.923  0.377  0.989     100.09  4.96
   3      0.839  0.130  0.281      99.45  4.86
   #Sites = 32: output truncated to 3 sites

   Top 32 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #19 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.339  0.630  0.281     91.914  4.86   0.0      2     99.449/    99.449
   2      0.531  0.853  0.752     88.243  4.03  14.4      4     94.442/    94.442
   3      0.923  0.377  0.989     88.098  4.96  19.5      2    100.088/   100.088
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #20 of 106
   ----------------------------
   Ensemble helix_pdb Euler 240.92  26.84 170.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 38 sites over 67.5% of top
   38 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.705  0.969  0.504     102.82  5.28
   2      0.205  0.469  0.504     102.82  5.28
   3      0.701  0.968  0.498     100.29  4.86
   #Sites = 38: output truncated to 3 sites

   Top 38 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #20 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.705  0.969  0.504     94.345  5.28   0.0      4     102.82/    102.82
   2      0.908  0.543  0.368     86.589  3.86  27.3      4      94.38/     94.52
   3      0.766  0.513  0.489     85.801  4.02  12.6      6      95.34/     99.35
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #21 of 106
   ----------------------------
   Ensemble helix_pdb Euler 136.29  40.23 158.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 22 sites over 67.5% of top
   22 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.425  0.226  0.251     97.558  4.77
   2      0.925  0.726  0.251     97.558  4.77
   3      0.702  0.345  0.446     97.160  4.70
   #Sites = 22: output truncated to 3 sites

   Top 22 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #21 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.202  0.845  0.446     89.425  4.70   0.0      2     97.160/    97.160
   2      0.409  0.417  0.316     89.277  4.33  27.2      2     94.964/    94.964
   3      0.425  0.226  0.251     85.316  4.77  28.0      2     97.558/    97.558
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #22 of 106
   ----------------------------
   Ensemble helix_pdb Euler 332.57  27.01 170.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 38 sites over 67.5% of top
   38 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.799  0.578  0.532     98.889  4.84
   2      0.299  0.078  0.532     98.889  4.84
   3      0.804  0.579  0.541     97.765  4.65
   #Sites = 38: output truncated to 3 sites

   Top 38 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #22 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 15 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.855  0.260  0.383     91.752  4.53   0.0      4     97.048/    97.048
   2      0.804  0.579  0.541     90.531  4.65  15.5      4     97.765/    98.889
   3      0.904  0.195  0.971     84.765  4.37  29.3      2     96.113/    96.113
   #SITES = 15: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #23 of 106
   ----------------------------
   Ensemble helix_pdb Euler 266.43  24.03 172.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 22 sites over 67.5% of top
   22 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.609  0.354  0.164     97.609  4.77
   2      0.109  0.854  0.164     97.609  4.77
   3      0.797  0.951  0.630     96.449  4.57
   #Sites = 22: output truncated to 3 sites

   Top 22 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #23 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.797  0.951  0.630     97.440  4.57   0.0      2     96.449/    96.449
   2      0.109  0.854  0.164     85.374  4.77  10.2      2     97.609/    97.609
   3      0.719  0.867  0.157     84.780  4.42  26.1      2     95.531/    95.531

   SET #1 of 8 TRIAL #24 of 106
   ----------------------------
   Ensemble helix_pdb Euler 179.38  35.69 151.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 28 sites over 67.5% of top
   28 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.674  0.930  0.327     99.374  4.85
   2      0.174  0.430  0.327     99.374  4.85
   3      0.729  0.943  0.447     98.115  4.64
   #Sites = 28: output truncated to 3 sites

   Top 28 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #24 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.746  0.960  0.884     85.153  4.37   0.0      2     96.478/    96.478
   2      0.548  0.839  0.837     81.902  4.39  16.9      2     96.605/    96.605
   3      0.674  0.930  0.327     81.728  4.85  31.4      2     99.374/    99.374
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #25 of 106
   ----------------------------
   Ensemble helix_pdb Euler  98.11  38.34 149.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.705  0.748  0.867     94.480  4.20
   2      0.205  0.248  0.867     94.480  4.20
   3      0.791  0.799  0.914     94.296  4.17
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #25 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.205  0.248  0.867     82.839  4.20   0.0      2     94.480/    94.480
   2      0.185  0.791  0.525     78.486  4.15  23.3      2     94.149/    94.149
   3      0.297  0.302  0.921     77.494  4.12   6.9      4     93.987/    94.296
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #26 of 106
   ----------------------------
   Ensemble helix_pdb Euler 114.54  26.45 142.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 30 sites over 67.5% of top
   30 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.748  0.662  0.217     98.674  4.75
   2      0.248  0.162  0.217     98.674  4.75
   3      0.423  0.053  0.126     98.363  4.69
   #Sites = 30: output truncated to 3 sites

   Top 30 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #26 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.377  0.095  0.541     92.880  4.46   0.0      4     96.957/    96.957
   2      0.748  0.662  0.217     89.859  4.75  26.6      4     98.674/    98.674
   3      0.423  0.053  0.126     85.074  4.69  16.9      4     98.363/    98.363
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #27 of 106
   ----------------------------
   Ensemble helix_pdb Euler  89.72  37.80 148.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.757  0.299  0.989     96.111  4.40
   2      0.257  0.799  0.989     96.111  4.40
   3      0.343  0.861  0.417     95.949  4.37
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #27 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.811  0.859  0.088     85.349  4.15   0.0      2     94.664/    94.664
   2      0.757  0.299  0.989     81.797  4.40  11.6      2     96.111/    96.111
   3      0.843  0.361  0.417     81.748  4.37  22.5      2     95.949/    95.949
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #28 of 106
   ----------------------------
   Ensemble helix_pdb Euler 238.45  34.59 163.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 52 sites over 67.5% of top
   52 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.651  0.636  0.234     100.63  4.92
   2      0.151  0.136  0.234     100.63  4.92
   3      0.732  0.518  0.599      99.54  4.74
   #Sites = 52: output truncated to 3 sites

   Top 52 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #28 of 106
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 18 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.721  0.686  0.790     87.448  4.67   0.0      2     99.122/    99.122
   2      0.651  0.636  0.234     87.123  4.92  31.5      4    100.628/   100.628
   3      0.232  0.018  0.599     85.072  4.74  28.8      2     99.542/    99.542
   #SITES = 18: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #29 of 106
   ----------------------------
   Ensemble helix_pdb Euler 290.39  33.10 166.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 44 sites over 67.5% of top
   44 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.705  0.220  0.135     99.348  4.68
   2      0.205  0.720  0.135     99.348  4.68
   3      0.751  0.185  0.248     98.916  4.61
   #Sites = 44: output truncated to 3 sites

   Top 44 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #29 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 13 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.705  0.220  0.135     84.825  4.68   0.0      4     99.348/    99.348
   2      0.505  0.092  0.941     83.292  4.24  14.4      4     96.698/    96.698
   3      0.758  0.196  0.255     82.180  4.35   5.8      4     97.352/    98.916
   #SITES = 13: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #30 of 106
   ----------------------------
   Ensemble helix_pdb Euler 125.04  28.98 150.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 124 sites over 67.5% of top
   124 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.754  0.054  0.437     102.66  4.80
   2      0.254  0.554  0.437     102.66  4.80
   3      0.273  0.600  0.874     102.53  4.78
   #Sites = 124: output truncated to 3 sites

   Top 124 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #30 of 106
   0%     100%
   |=======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 12 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.273  0.600  0.874     89.410  4.78   0.0      4     102.53/    102.53
   2      0.798  0.378  0.932     85.747  4.21  46.3      4      99.01/    101.77
   3      0.494  0.618  0.545     83.089  3.98  33.3      4      97.58/     97.58
   #SITES = 12: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #31 of 106
   ----------------------------
   Ensemble helix_pdb Euler 231.17  27.28 171.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 24 sites over 67.5% of top
   24 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.741  0.499  0.475     100.32  4.88
   2      0.241  0.999  0.475     100.32  4.88
   3      0.695  0.975  0.502      99.82  4.79
   #Sites = 24: output truncated to 3 sites

   Top 24 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #31 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.695  0.975  0.502     90.372  4.79   0.0      4     99.820/    99.820
   2      0.782  0.044  0.721     87.135  4.02  10.8      2     95.348/    95.348
   3      0.735  0.010  0.612     83.305  4.32   5.5      2     97.090/    97.090
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #32 of 106
   ----------------------------
   Ensemble helix_pdb Euler  56.35  20.61 156.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.415  0.012  0.995     95.937  4.49
   2      0.915  0.512  0.995     95.937  4.49
   3      0.414  0.523  0.165     94.906  4.31
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #32 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.915  0.512  0.995     86.912  4.49   0.0      2     95.937/    95.937
   2      0.823  0.599  0.313     83.326  4.21  26.6      2     94.321/    94.321
   3      0.004  0.495  0.435     81.280  4.14  23.5      2     93.904/    93.904
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #33 of 106
   ----------------------------
   Ensemble helix_pdb Euler  72.90  36.76 146.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.821  0.812  0.086     98.143  4.67
   2      0.321  0.312  0.086     98.143  4.67
   3      0.816  0.809  0.078     96.573  4.39
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #33 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.821  0.812  0.086     85.027  4.67   0.0      4     98.143/    98.143
   2      0.226  0.287  0.863     80.330  4.07  13.3      2     94.703/    94.703
   3      0.718  0.229  0.859     78.339  4.09  14.8      2     94.828/    94.828

   SET #1 of 8 TRIAL #34 of 106
   ----------------------------
   Ensemble helix_pdb Euler 281.57  33.45 166.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 28 sites over 67.5% of top
   28 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.697  0.207  0.134     100.79  5.01
   2      0.197  0.707  0.134     100.79  5.01
   3      0.744  0.185  0.246      98.28  4.59
   #Sites = 28: output truncated to 3 sites

   Top 28 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #34 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.197  0.707  0.134     89.221  5.01   0.0      2     100.79/    100.79
   2      0.744  0.185  0.246     81.335  4.59  30.2      2      98.28/     98.28
   3      0.322  0.997  0.725     80.372  4.20  32.1      2      95.88/     95.88
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #35 of 106
   ----------------------------
   Ensemble helix_pdb Euler 114.47  38.85 151.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.700  0.783  0.868     98.135  5.13
   2      0.200  0.283  0.868     98.135  5.13
   3      0.731  0.307  0.194     94.317  4.48
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #35 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.700  0.783  0.868     93.528  5.13   0.0      4     98.135/    98.135
   2      0.645  0.670  0.365     86.990  4.37  25.1      2     93.654/    93.654
   3      0.759  0.433  0.549     84.357  4.37  25.5      2     93.694/    93.694

   SET #1 of 8 TRIAL #36 of 106
   ----------------------------
   Ensemble helix_pdb Euler 243.79  38.08 168.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.502  0.078  0.909     93.983  4.52
   2      0.002  0.578  0.909     93.983  4.52
   3      0.719  0.679  0.350     93.078  4.36
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #36 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.502  0.078  0.909     83.198  4.52   0.0      2     93.983/    93.983
   2      0.719  0.679  0.350     80.151  4.36  18.5      2     93.078/    93.078

   SET #1 of 8 TRIAL #37 of 106
   ----------------------------
   Ensemble helix_pdb Euler   1.14  23.98 157.88 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      9658 peaks
      2 peaks over 105.368 checked for packing
      Translation peak 1 first to be kept
      Done

   New Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2) at Trial #37

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.822  0.199  0.548     106.34  6.16
   2      0.322  0.699  0.548     106.34  6.16
   3      0.819  0.199  0.543     100.36  5.19
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #37 of 106
   0% 100%
   |==| DONE

   Packing LLG Translations: pass 1 of 1...
      12 peaks
      4 peaks over 97.9077 checked for packing
      Translation peak 1 first to be kept
      Done
      Exit: found a peak that packs

   New Top (ML) Translation Function LLG = 101.28 (TFZ=6.2) at Trial #37
   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.322  0.699  0.548     101.28  6.16   0.0      4     106.34/    106.34

   SET #1 of 8 TRIAL #38 of 106
   ----------------------------
   Ensemble helix_pdb Euler 133.57  27.81 141.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.28 (TFZ=6.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.404  0.066  0.133     95.829  4.50
   2      0.904  0.566  0.133     95.829  4.50
   3      0.311  0.926  0.940     95.069  4.37
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #38 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.242  0.669  0.771     84.039  4.35   0.0      2     94.971/    94.971
   2      0.811  0.426  0.940     82.016  4.37  41.1      2     95.069/    95.069
   3      0.404  0.066  0.133     81.840  4.50  19.9      4     95.829/    95.829
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #39 of 106
   ----------------------------
   Ensemble helix_pdb Euler 350.92  26.21 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.28 (TFZ=6.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 22 sites over 67.5% of top
   22 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.806  0.171  0.539     100.25  5.04
   2      0.306  0.671  0.539     100.25  5.04
   3      0.802  0.168  0.532      97.18  4.54
   #Sites = 22: output truncated to 3 sites

   Top 22 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #39 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.306  0.671  0.539     88.547  5.04   0.0      4     100.25/    100.25
   2      0.362  0.736  0.399     85.214  4.51  13.0      2      96.97/     96.97
   3      0.112  0.646  0.083     84.533  4.21  22.1      2      95.16/     95.16
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #40 of 106
   ----------------------------
   Ensemble helix_pdb Euler  86.17  34.18 153.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.28 (TFZ=6.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 52 sites over 67.5% of top
   52 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.784  0.894  0.411     102.90  4.96
   2      0.284  0.394  0.411     102.90  4.96
   3      0.758  0.774  0.356     101.58  4.74
   #Sites = 52: output truncated to 3 sites

   Top 52 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #40 of 106
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 17 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.784  0.894  0.411     82.805  4.96   0.0      2     102.90/    102.90
   2      0.758  0.774  0.356     82.498  4.74   3.9      2     101.58/    101.58
   3      0.877  0.915  0.649     80.353  4.19  11.6      2      98.20/     98.20
   #SITES = 17: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #41 of 106
   ----------------------------
   Ensemble helix_pdb Euler 286.88  23.04 169.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.28 (TFZ=6.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.820  0.977  0.645     97.968  5.22
   2      0.320  0.477  0.645     97.968  5.22
   3      0.431  0.182  0.895     95.462  4.80
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #41 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.820  0.977  0.645     98.479  5.22   0.0      2     97.968/    97.968
   2      0.819  0.476  0.506     87.182  4.79  14.8      2     95.359/    95.359

   SET #1 of 8 TRIAL #42 of 106
   ----------------------------
   Ensemble helix_pdb Euler 160.97  29.98 141.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.28 (TFZ=6.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 36 sites over 67.5% of top
   36 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.258  0.602  0.889     101.01  5.08
   2      0.758  0.102  0.889     101.01  5.08
   3      0.280  0.542  0.566      99.21  4.77
   #Sites = 36: output truncated to 3 sites

   Top 36 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #42 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 13 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.258  0.602  0.889     89.961  5.08   0.0      4     101.01/    101.01
   2      0.210  0.624  0.782     87.768  4.58   5.2      2      98.09/     98.09
   3      0.415  0.992  0.248     84.626  4.60  19.7      2      98.19/     98.19
   #SITES = 13: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #43 of 106
   ----------------------------
   Ensemble helix_pdb Euler 170.10  30.70 141.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.28 (TFZ=6.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 24 sites over 67.5% of top
   24 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.248  0.579  0.890     101.58  5.15
   2      0.748  0.079  0.890     101.58  5.15
   3      0.253  0.571  0.895      99.84  4.85
   #Sites = 24: output truncated to 3 sites

   Top 24 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #43 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.748  0.079  0.890     90.571  5.15   0.0      4     101.58/    101.58
   2      0.317  0.003  0.022     88.253  4.84  10.7      4      99.75/     99.75
   3      0.133  0.561  0.686     81.575  4.25  40.4      2      96.31/     96.31
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #44 of 106
   ----------------------------
   Ensemble helix_pdb Euler 351.88  21.68 148.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.28 (TFZ=6.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #45 of 106
   ----------------------------
   Ensemble helix_pdb Euler 226.10  28.67 167.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.28 (TFZ=6.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 30 sites over 67.5% of top
   30 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.720  0.565  0.468     102.17  5.11
   2      0.220  0.065  0.468     102.17  5.11
   3      0.718  0.070  0.603     100.90  4.90
   #Sites = 30: output truncated to 3 sites

   Top 30 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #45 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.218  0.570  0.603     86.311  4.90   0.0      2     100.90/    100.90
   2      0.269  0.604  0.716     85.559  4.22   5.6      4      96.89/     97.76
   3      0.748  0.035  0.164     85.137  4.46  17.1      4      98.30/     98.30
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #46 of 106
   ----------------------------
   Ensemble helix_pdb Euler 331.02  25.47 151.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.28 (TFZ=6.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 20 sites over 67.5% of top
   20 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.342  0.040  0.514     98.314  4.77
   2      0.842  0.540  0.514     98.314  4.77
   3      0.791  0.490  0.398     97.900  4.70
   #Sites = 20: output truncated to 3 sites

   Top 20 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #46 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.229  0.488  0.414     84.851  4.56   0.0      2     97.067/    97.067
   2      0.806  0.497  0.069     81.052  4.22  28.7      2     94.987/    94.987
   3      0.842  0.540  0.514     78.346  4.77  10.2      4     98.314/    98.314
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #47 of 106
   ----------------------------
   Ensemble helix_pdb Euler 316.81  32.12 167.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.28 (TFZ=6.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 32 sites over 67.5% of top
   32 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.321  0.695  0.369     100.67  4.99
   2      0.821  0.195  0.369     100.67  4.99
   3      0.365  0.657  0.953      99.55  4.80
   #Sites = 32: output truncated to 3 sites

   Top 32 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #47 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.821  0.195  0.369     88.178  4.99   0.0      2     100.67/    100.67
   2      0.273  0.748  0.254     85.309  4.06  32.1      2      95.12/     95.12
   3      0.865  0.157  0.953     84.137  4.80  29.3      4      99.55/     99.55
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #48 of 106
   ----------------------------
   Ensemble helix_pdb Euler  10.68  27.05 148.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.28 (TFZ=6.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 20 sites over 67.5% of top
   20 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.809  0.158  0.542     100.16  5.13
   2      0.309  0.658  0.542     100.16  5.13
   3      0.805  0.158  0.535      99.47  5.01
   #Sites = 20: output truncated to 3 sites

   Top 20 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #48 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.809  0.158  0.542     89.573  5.13   0.0      4     100.16/    100.16
   2      0.386  0.172  0.192     84.834  4.54  30.0      2      96.62/     96.62
   3      0.731  0.090  0.319     83.137  4.24  11.1      2      94.79/     94.79
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #49 of 106
   ----------------------------
   Ensemble helix_pdb Euler 168.78  39.95 163.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.28 (TFZ=6.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.686  0.280  0.463     95.834  4.83
   2      0.186  0.780  0.463     95.834  4.83
   3      0.745  0.855  0.439     94.980  4.68
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #49 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.686  0.280  0.463     91.794  4.83   0.0      2     95.834/    95.834
   2      0.249  0.299  0.118     85.656  4.60  23.2      2     94.488/    94.488
   3      0.686  0.771  0.320     84.728  4.61  14.8      2     94.569/    94.569
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #50 of 106
   ----------------------------
   Ensemble helix_pdb Euler 276.54  23.49 171.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.28 (TFZ=6.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.808  0.962  0.638     98.434  5.42
   2      0.308  0.462  0.638     98.434  5.42

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #50 of 106
   0% 100%
   |==| DONE

   Packing LLG Translations: pass 1 of 1...
      2 peaks
      2 peaks over 101.276 checked for packing
      Translation peak 1 first to be kept
      Done
      Exit: found a peak that packs

   New Top (ML) Translation Function LLG = 101.97 (TFZ=5.4) at Trial #50
   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.808  0.962  0.638     101.97  5.42   0.0      2     98.434/    98.434

   SET #1 of 8 TRIAL #51 of 106
   ----------------------------
   Ensemble helix_pdb Euler 246.31  25.15 174.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.697  0.857  0.157     95.705  4.85
   2      0.197  0.357  0.157     95.705  4.85
   3      0.724  0.925  0.513     95.198  4.76
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #51 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.724  0.925  0.513     91.508  4.76   0.0      2     95.198/    95.198
   2      0.197  0.357  0.157     86.858  4.85  20.0      2     95.705/    95.705
   3      0.583  0.897  0.164     85.806  4.53  17.0      2     93.854/    93.854

   SET #1 of 8 TRIAL #52 of 106
   ----------------------------
   Ensemble helix_pdb Euler 322.82  28.56 160.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 26 sites over 67.5% of top
   26 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.557  0.051  0.441     99.810  4.81
   2      0.057  0.551  0.441     99.810  4.81
   3      0.817  0.591  0.499     99.203  4.71
   #Sites = 26: output truncated to 3 sites

   Top 26 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #52 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.727  0.087  0.411     90.070  4.46   0.0      4     97.636/    97.636
   2      0.817  0.591  0.499     80.153  4.71  13.4      2     99.203/    99.203
   3      0.329  0.654  0.382     78.877  3.98  19.8      2     94.602/    94.602

   SET #1 of 8 TRIAL #53 of 106
   ----------------------------
   Ensemble helix_pdb Euler 168.90  35.29 142.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #54 of 106
   ----------------------------
   Ensemble helix_pdb Euler  94.86  34.47 153.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 28 sites over 67.5% of top
   28 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.776  0.909  0.412     99.448  4.65
   2      0.276  0.409  0.412     99.448  4.65
   3      0.326  0.406  0.532     98.862  4.56
   #Sites = 28: output truncated to 3 sites

   Top 28 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #54 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.339  0.471  0.200     84.043  4.39   0.0      2     97.815/    97.815
   2      0.738  0.390  0.986     81.623  4.20   9.2      4     96.700/    96.748
   3      0.826  0.906  0.532     80.467  4.56  31.0      4     98.862/    98.862
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #55 of 106
   ----------------------------
   Ensemble helix_pdb Euler 248.33  29.35 162.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 30 sites over 67.5% of top
   30 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.285  0.051  0.591     100.81  5.03
   2      0.785  0.551  0.591     100.81  5.03
   3      0.704  0.538  0.365      99.03  4.75
   #Sites = 30: output truncated to 3 sites

   Top 30 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #55 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.185  0.557  0.495     85.871  4.28   0.0      4     96.072/    96.072
   2      0.744  0.127  0.357     83.563  4.28  12.5      2     96.082/    96.082
   3      0.785  0.551  0.591     81.169  5.03   7.6      2    100.811/   100.811
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #56 of 106
   ----------------------------
   Ensemble helix_pdb Euler 188.54  36.06 151.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.723  0.903  0.449     95.590  4.79
   2      0.223  0.403  0.449     95.590  4.79
   3      0.490  0.460  0.506     94.810  4.66
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #56 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.777  0.899  0.566     80.086  4.60   0.0      2     94.451/    94.451
   2      0.490  0.460  0.506     75.308  4.66  24.3      2     94.810/    94.810
   3      0.723  0.903  0.449     72.648  4.79   5.7      2     95.590/    95.590

   SET #1 of 8 TRIAL #57 of 106
   ----------------------------
   Ensemble helix_pdb Euler 296.42  20.58 159.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.811  0.919  0.647     100.70  5.83
   2      0.311  0.419  0.647     100.70  5.83
   3      0.807  0.919  0.640      96.30  5.07
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #57 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.311  0.419  0.647     96.333  5.83   0.0      4     100.70/    100.70

   SET #1 of 8 TRIAL #58 of 106
   ----------------------------
   Ensemble helix_pdb Euler  27.07  27.83 147.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 26 sites over 67.5% of top
   26 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.369  0.214  0.520     102.81  5.95
   2      0.869  0.714  0.520     102.81  5.95
   3      0.845  0.582  0.465      99.64  5.42
   #Sites = 26: output truncated to 3 sites

   Top 26 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #58 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.893  0.749  0.194     88.552  4.41   0.0      2     93.505/    93.505
   2      0.312  0.728  0.543     84.053  4.45  29.7      2     93.755/    93.755
   3      0.345  0.082  0.465     83.118  5.42  33.3      2     99.637/    99.637
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #59 of 106
   ----------------------------
   Ensemble helix_pdb Euler 219.01  39.25 165.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.301  0.693  0.916     94.815  4.90
   2      0.801  0.193  0.916     94.815  4.90
   3      0.296  0.697  0.907     94.065  4.77
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #59 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.801  0.193  0.916     85.668  4.90   0.0      4     94.815/    94.815

   SET #1 of 8 TRIAL #60 of 106
   ----------------------------
   Ensemble helix_pdb Euler 232.62  37.51 171.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #61 of 106
   ----------------------------
   Ensemble helix_pdb Euler 152.55  30.04 150.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 44 sites over 67.5% of top
   44 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.248  0.547  0.882     100.75  4.87
   2      0.748  0.047  0.882     100.75  4.87
   3      0.264  0.496  0.562      99.68  4.70
   #Sites = 44: output truncated to 3 sites

   Top 44 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #61 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.621  0.422  0.906     88.501  4.24   0.0      4     96.872/    96.872
   2      0.248  0.547  0.882     84.279  4.87  33.6      4    100.750/   100.750
   3      0.172  0.933  0.013     83.455  3.99  20.0      4     95.322/    95.919
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #62 of 106
   ----------------------------
   Ensemble helix_pdb Euler  30.36  24.91 165.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.451  0.433  0.759     97.283  4.85
   2      0.951  0.933  0.759     97.283  4.85
   3      0.457  0.436  0.766     96.785  4.77
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #62 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.311  0.998  0.290     86.335  4.54   0.0      4     95.480/    95.480
   2      0.951  0.933  0.759     83.419  4.85  22.3      4     97.283/    97.283
   3      0.170  0.877  0.487     78.976  4.70  23.4      4     96.394/    96.394
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #63 of 106
   ----------------------------
   Ensemble helix_pdb Euler 285.32  35.80 173.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #64 of 106
   ----------------------------
   Ensemble helix_pdb Euler  29.93  26.47 156.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.413  0.837  0.981     98.507  5.26
   2      0.913  0.337  0.981     98.507  5.26
   3      0.826  0.084  0.267     93.626  4.47
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #64 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.913  0.337  0.981     88.061  5.26   0.0      2     98.507/    98.507
   2      0.826  0.084  0.267     83.454  4.47  24.9      4     93.626/    93.626
   3      0.871  0.319  0.874     76.393  4.46   5.2      2     93.613/    93.613

   SET #1 of 8 TRIAL #65 of 106
   ----------------------------
   Ensemble helix_pdb Euler 242.62  48.33 196.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #66 of 106
   ----------------------------
   Ensemble helix_pdb Euler 302.48  34.53 174.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #67 of 106
   ----------------------------
   Ensemble helix_pdb Euler 204.20  35.14 161.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.721  0.733  0.455     98.244  5.32
   2      0.221  0.233  0.455     98.244  5.32
   3      0.715  0.732  0.446     94.714  4.75
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #67 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.721  0.733  0.455     81.964  5.32   0.0      4     98.244/    98.244
   2      0.777  0.683  0.253     81.890  4.61  16.6      2     93.826/    93.826
   3      0.270  0.246  0.565     75.251  4.53  11.7      2     93.318/    93.318

   SET #1 of 8 TRIAL #68 of 106
   ----------------------------
   Ensemble helix_pdb Euler 260.28  37.31 170.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #69 of 106
   ----------------------------
   Ensemble helix_pdb Euler 163.57  39.98 158.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.689  0.847  0.320     93.429  4.87
   2      0.189  0.347  0.320     93.429  4.87

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #69 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.689  0.847  0.320     84.791  4.87   0.0      2     93.429/    93.429

   SET #1 of 8 TRIAL #70 of 106
   ----------------------------
   Ensemble helix_pdb Euler 221.27  34.97 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.730  0.678  0.458     97.328  5.15
   2      0.230  0.178  0.458     97.328  5.15
   3      0.283  0.181  0.576     94.309  4.66
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #70 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.783  0.681  0.576     74.939  4.66   0.0      4     94.309/    94.309
   2      0.730  0.678  0.458     74.147  5.15   5.7      2     97.328/    97.328
   3      0.729  0.777  0.460     72.263  4.55   6.1      2     93.649/    93.649

   SET #1 of 8 TRIAL #71 of 106
   ----------------------------
   Ensemble helix_pdb Euler 217.47  27.18 176.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.276  0.534  0.724     96.626  5.06
   2      0.776  0.034  0.724     96.626  5.06
   3      0.261  0.047  0.149     94.912  4.75
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #71 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.776  0.034  0.724     92.574  5.06   0.0      2     96.626/    96.626
   2      0.761  0.547  0.149     88.260  4.75  30.2      2     94.912/    94.912

   SET #1 of 8 TRIAL #72 of 106
   ----------------------------
   Ensemble helix_pdb Euler 155.42  39.96 157.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.659  0.855  0.207     94.563  5.03
   2      0.159  0.355  0.207     94.563  5.03

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #72 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.159  0.355  0.207     85.596  5.03   0.0      2     94.563/    94.563

   SET #1 of 8 TRIAL #73 of 106
   ----------------------------
   Ensemble helix_pdb Euler 266.84  29.07 162.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 22 sites over 67.5% of top
   22 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.274  0.027  0.483     100.17  5.19
   2      0.774  0.527  0.483     100.17  5.19
   3      0.272  0.029  0.482      98.52  4.93
   #Sites = 22: output truncated to 3 sites

   Top 22 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #73 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.208  0.521  0.503     87.154  4.60   0.0      6     96.490/   100.172
   2      0.703  0.524  0.367     79.356  4.60   6.9      2     96.520/    96.520
   3      0.719  0.523  0.366     78.389  4.85   6.5      4     98.066/    98.066
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #74 of 106
   ----------------------------
   Ensemble helix_pdb Euler 248.54  40.68 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.667  0.338  0.116     93.857  5.07
   2      0.167  0.838  0.116     93.857  5.07

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #74 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.667  0.338  0.116     85.321  5.07   0.0      2     93.857/    93.857

   SET #1 of 8 TRIAL #75 of 106
   ----------------------------
   Ensemble helix_pdb Euler 335.56  60.15 153.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.227  0.204  0.964     103.33  6.61
   2      0.727  0.704  0.964     103.33  6.61
   3      0.224  0.207  0.961     100.42  6.09
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #75 of 106
   0% 100%
   |==| DONE

   Packing LLG Translations: pass 1 of 1...
      8 peaks
      4 peaks over 101.965 checked for packing
      Translation peak 1 first to be kept
      Done
      Exit: found a peak that packs

   New Top (ML) Translation Function LLG = 104.26 (TFZ=6.6) at Trial #75
   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.227  0.204  0.964     104.26  6.61   0.0      6     103.33/    103.33
   2      0.657  0.742  0.865      89.85  4.84  45.1      2      93.47/     93.47

   SET #1 of 8 TRIAL #76 of 106
   ----------------------------
   Ensemble helix_pdb Euler 174.84  35.22 168.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.234  0.229  0.115     95.125  4.82
   2      0.734  0.729  0.115     95.125  4.82

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #76 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.734  0.729  0.115     85.731  4.82   0.0      2     95.125/    95.125

   SET #1 of 8 TRIAL #77 of 106
   ----------------------------
   Ensemble helix_pdb Euler 165.48  35.57 167.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.235  0.278  0.111     93.964  4.54
   2      0.735  0.778  0.111     93.964  4.54
   3      0.665  0.256  0.463     93.826  4.52
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #77 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.665  0.256  0.463     85.006  4.52   0.0      4     93.826/    93.826
   2      0.735  0.778  0.111     83.805  4.54  29.3      2     93.964/    93.964
   3      0.899  0.633  0.273     77.062  4.49  32.1      2     93.628/    93.628

   SET #1 of 8 TRIAL #78 of 106
   ----------------------------
   Ensemble helix_pdb Euler  10.94  21.02 165.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #79 of 106
   ----------------------------
   Ensemble helix_pdb Euler  60.80  26.59 129.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #80 of 106
   ----------------------------
   Ensemble helix_pdb Euler 352.12  21.60 169.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #81 of 106
   ----------------------------
   Ensemble helix_pdb Euler 170.79  30.76 150.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.257  0.462  0.567     97.225  4.69
   2      0.757  0.962  0.567     97.225  4.69
   3      0.233  0.490  0.884     96.683  4.60
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #81 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.660  0.366  0.025     83.246  4.19   0.0      2     94.113/    94.113
   2      0.733  0.990  0.884     81.104  4.60  16.9      4     96.683/    96.683
   3      0.153  0.935  0.459     78.514  4.21  27.3      2     94.275/    94.275
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #82 of 106
   ----------------------------
   Ensemble helix_pdb Euler  84.45  21.19 136.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #83 of 106
   ----------------------------
   Ensemble helix_pdb Euler  55.85  49.43 194.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.599  0.705  0.997     95.376  5.58
   2      0.099  0.205  0.997     95.376  5.58

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #83 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.099  0.205  0.997     93.632  5.58   0.0      2     95.376/    95.376

   SET #1 of 8 TRIAL #84 of 106
   ----------------------------
   Ensemble helix_pdb Euler 140.08  44.06 153.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #85 of 106
   ----------------------------
   Ensemble helix_pdb Euler 341.56  28.50 159.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.798  0.639  0.392     95.267  4.67
   2      0.298  0.139  0.392     95.267  4.67

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #85 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.798  0.639  0.392     71.860  4.67   0.0      2     95.267/    95.267

   SET #1 of 8 TRIAL #86 of 106
   ----------------------------
   Ensemble helix_pdb Euler  79.26  28.94 129.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.630  0.925  0.449     92.116  5.00
   2      0.130  0.425  0.449     92.116  5.00

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #86 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.130  0.425  0.449     79.868  5.00   0.0      2     92.116/    92.116

   SET #1 of 8 TRIAL #87 of 106
   ----------------------------
   Ensemble helix_pdb Euler 183.39  40.20 156.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #88 of 106
   ----------------------------
   Ensemble helix_pdb Euler 131.62  36.65 164.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.657  0.282  0.255     94.569  4.67
   2      0.157  0.782  0.255     94.569  4.67

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #88 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.657  0.282  0.255     72.595  4.67   0.0      2     94.569/    94.569

   SET #1 of 8 TRIAL #89 of 106
   ----------------------------
   Ensemble helix_pdb Euler 195.65  35.27 161.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.667  0.251  0.979     93.185  4.65
   2      0.167  0.751  0.979     93.185  4.65
   3      0.721  0.764  0.452     93.008  4.63
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #89 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.667  0.251  0.979     79.430  4.65   0.0      2     93.185/    93.185
   2      0.721  0.764  0.452     75.456  4.63  29.5      2     93.008/    93.008

   SET #1 of 8 TRIAL #90 of 106
   ----------------------------
   Ensemble helix_pdb Euler  42.56  32.81 151.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.543  0.363  0.523     96.228  4.55
   2      0.043  0.863  0.523     96.228  4.55
   3      0.356  0.306  0.406     95.997  4.52
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #90 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.043  0.863  0.523     86.030  4.55   0.0      2     96.228/    96.228
   2      0.311  0.306  0.067     77.696  4.22  28.5      2     94.234/    94.234
   3      0.856  0.806  0.406     74.656  4.52   7.4      2     95.997/    95.997

   SET #1 of 8 TRIAL #91 of 106
   ----------------------------
   Ensemble helix_pdb Euler  12.48  21.81 155.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.835  0.762  0.416     92.154  4.85
   2      0.335  0.262  0.416     92.154  4.85

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #91 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.835  0.762  0.416     83.083  4.85   0.0      2     92.154/    92.154

   SET #1 of 8 TRIAL #92 of 106
   ----------------------------
   Ensemble helix_pdb Euler 276.77  36.46 172.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #93 of 106
   ----------------------------
   Ensemble helix_pdb Euler  84.53  31.13 133.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.627  0.398  0.996     94.725  5.38
   2      0.127  0.898  0.996     94.725  5.38
   3      0.799  0.891  0.320     93.807  5.22
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #93 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.799  0.939  0.320     79.545  5.20   0.0      4     93.698/    93.807
   2      0.127  0.898  0.996     75.029  5.38  25.0      2     94.725/    94.725
   3      0.628  0.910  0.995     73.504  5.01  15.9      2     92.539/    92.539

   SET #1 of 8 TRIAL #94 of 106
   ----------------------------
   Ensemble helix_pdb Euler   9.68  28.52 158.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.351  0.733  0.854     96.211  4.81
   2      0.851  0.233  0.854     96.211  4.81
   3      0.345  0.734  0.847     95.199  4.66
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #94 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.851  0.233  0.854     83.405  4.81   0.0      4     96.211/    96.211
   2      0.392  0.262  0.628     76.068  4.48  23.5      2     94.057/    94.057
   3      0.665  0.631  0.903     74.964  4.49  21.5      2     94.163/    94.163

   SET #1 of 8 TRIAL #95 of 106
   ----------------------------
   Ensemble helix_pdb Euler 232.61  52.18 186.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #96 of 106
   ----------------------------
   Ensemble helix_pdb Euler 108.16  30.03 138.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #97 of 106
   ----------------------------
   Ensemble helix_pdb Euler  31.28  27.01 139.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #98 of 106
   ----------------------------
   Ensemble helix_pdb Euler  19.05  28.56 158.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.350  0.773  0.855     95.717  4.76
   2      0.850  0.273  0.855     95.717  4.76
   3      0.344  0.773  0.847     94.947  4.64
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #98 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.350  0.773  0.855     82.747  4.76   0.0      4     95.717/    95.717
   2      0.895  0.295  0.964     75.299  4.44  42.8      2     93.685/    93.685
   3      0.917  0.755  0.521     74.757  4.47  20.5      2     93.884/    93.884

   SET #1 of 8 TRIAL #99 of 106
   ----------------------------
   Ensemble helix_pdb Euler 264.73  40.37 165.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #100 of 106
   -----------------------------
   Ensemble helix_pdb Euler 194.30  50.74 192.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #101 of 106
   -----------------------------
   Ensemble helix_pdb Euler 139.50  30.14 154.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 36 sites over 67.5% of top
   36 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.706  0.899  0.378     99.260  4.92
   2      0.206  0.399  0.378     99.260  4.92
   3      0.712  0.894  0.387     97.616  4.67
   #Sites = 36: output truncated to 3 sites

   Top 36 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #101 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.174  0.907  0.011     83.071  4.16   0.0      2     94.357/    94.357
   2      0.775  0.335  0.934     79.734  4.13  10.8      2     94.191/    94.191
   3      0.712  0.894  0.387     77.045  4.67  32.5      4     97.616/    99.260
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #102 of 106
   -----------------------------
   Ensemble helix_pdb Euler  99.11  29.16 138.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #103 of 106
   -----------------------------
   Ensemble helix_pdb Euler 227.28  54.30 181.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #104 of 106
   -----------------------------
   Ensemble helix_pdb Euler 224.30  30.75 179.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.723  0.978  0.502     95.001  5.51
   2      0.223  0.478  0.502     95.001  5.51

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #104 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.223  0.478  0.502     91.885  5.51   0.0      2     95.001/    95.001

   SET #1 of 8 TRIAL #105 of 106
   -----------------------------
   Ensemble helix_pdb Euler  47.30  26.90 133.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #106 of 106
   -----------------------------
   Ensemble helix_pdb Euler 206.23  45.28 158.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

----------------------------
TRANSLATION FUNCTION #2 OF 8
----------------------------

   SOLU SET  RFZ=4.7 TFZ=3.8 PAK=0 LLG=59
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER   39.7   32.0  181.3 FRAC -0.20  0.03 -0.08 BFAC -10.38
   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   88.6 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   88.5 RFZ  4.00

   SOLU TRIAL ENSEMBLE helix_pdb EULER   51.869   24.857  151.761 RF   88.1 RFZ  3.96

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   87.6 RFZ  3.90

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.535   25.925  148.923 RF   87.2 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   86.9 RFZ  3.83

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   86.8 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   86.7 RFZ  3.81

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   86.6 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.424   24.033  161.846 RF   86.4 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.201   26.601  163.128 RF   86.4 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   86.2 RFZ  3.76

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   86.2 RFZ  3.76

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   86.1 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   86.0 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   85.5 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   85.5 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   85.5 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   85.3 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   85.3 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   85.2 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   85.1 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   85.0 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   84.9 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   84.8 RFZ  3.61

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   84.8 RFZ  3.61

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   84.7 RFZ  3.61

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   84.7 RFZ  3.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   84.7 RFZ  3.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   84.7 RFZ  3.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   84.5 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   84.5 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   84.5 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   84.2 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   84.1 RFZ  3.54

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   84.0 RFZ  3.53

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   83.9 RFZ  3.52

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   83.9 RFZ  3.52

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   83.8 RFZ  3.51

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   83.8 RFZ  3.50

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   83.7 RFZ  3.50

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   83.5 RFZ  3.48

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   83.5 RFZ  3.48

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   83.4 RFZ  3.47

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   83.3 RFZ  3.46

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   83.1 RFZ  3.43

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   82.8 RFZ  3.41

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   82.6 RFZ  3.38

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   82.5 RFZ  3.38

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   82.4 RFZ  3.37

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   82.4 RFZ  3.36

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   82.4 RFZ  3.36

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   82.3 RFZ  3.35

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   82.3 RFZ  3.35

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   82.3 RFZ  3.35

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   82.1 RFZ  3.33

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   82.1 RFZ  3.33

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   82.1 RFZ  3.33

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   82.1 RFZ  3.33

   SOLU TRIAL ENSEMBLE helix_pdb EULER   29.925   26.470  156.022 RF   81.6 RFZ  3.27

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   81.5 RFZ  3.27

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   81.5 RFZ  3.27

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.619   48.334  196.267 RF   81.5 RFZ  3.27

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   81.5 RFZ  3.26

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   81.4 RFZ  3.26

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   81.4 RFZ  3.25

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   81.3 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   81.3 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   81.3 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   81.3 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.203   35.142  161.594 RF   81.2 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   81.2 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   81.2 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   80.9 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  131.617   36.655  164.234 RF   80.7 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   80.7 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   80.7 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.087   47.928  196.726 RF   80.7 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.853   49.425  194.168 RF   80.6 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   80.6 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.844   29.075  162.258 RF   80.4 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   80.3 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   74.017   36.083  212.756 RF   80.2 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   80.2 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   80.1 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.649   35.266  161.001 RF   80.1 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.453   21.186  136.283 RF   79.9 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   79.9 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.771   36.460  172.722 RF   79.9 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   82.174   32.079  212.797 RF   79.9 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.561   28.504  159.572 RF   79.9 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.791   30.761  150.363 RF   79.8 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   38.861   16.401  156.062 RF   79.7 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.078   44.065  153.168 RF   79.7 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  139.502   30.142  154.811 RF   79.6 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.302   50.743  192.838 RF   79.6 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.732   40.369  165.315 RF   79.6 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.047   28.565  158.082 RF   79.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.388   40.196  156.612 RF   79.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.279   27.013  139.028 RF   79.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.614   52.183  186.085 RF   79.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.683   28.520  158.446 RF   79.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.227   45.283  158.453 RF   79.4 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   79.4 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.275   54.297  181.356 RF   79.3 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  147.239   28.399  136.646 RF   79.3 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   21.857   46.476  196.197 RF   79.3 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.791   32.132  146.853 RF   79.3 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.398   57.665  177.443 RF   79.2 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   12.483   21.810  155.358 RF   79.2 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   49.289   33.293  141.902 RF   79.2 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.262   28.939  129.773 RF   79.2 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   88.596   14.547  113.772 RF   79.1 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.306   29.978  154.977 RF   79.1 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  137.940   55.679  141.632 RF   79.1 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.743   34.377  143.791 RF   79.1 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   79.0 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.560   45.317  156.800 RF   79.0 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  210.850   39.450  164.662 RF   79.0 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  353.579   30.665  168.047 RF   78.9 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  108.160   30.031  138.942 RF   78.9 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.387   20.578  161.440 RF   78.9 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.105   29.162  138.969 RF   78.9 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  193.405   46.199  192.801 RF   78.9 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.581   30.297  164.048 RF   78.8 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   78.8 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.350   24.444   96.617 RF   78.8 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.303   26.896  133.601 RF   78.7 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.110   30.878  154.447 RF   78.7 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.257   30.048  168.017 RF   78.5 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.674   29.315  136.354 RF   78.5 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  214.423   56.768  173.963 RF   78.5 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.974   29.645  155.250 RF   78.5 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.474   32.698  151.429 RF   78.4 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.760   41.761  152.978 RF   78.4 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.182   36.981  179.693 RF   78.4 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.583   40.879  160.397 RF   78.4 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.526   31.131  133.953 RF   78.3 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.278   40.307  158.593 RF   78.2 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   14.334   23.518  135.651 RF   78.2 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  201.232   44.691  195.382 RF   78.2 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.308   53.759  154.829 RF   78.2 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.138   25.215  134.276 RF   78.1 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.765   26.601  136.983 RF   78.1 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  177.081   30.634  164.104 RF   78.1 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.768   30.768  159.195 RF   78.1 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.500   39.817  171.071 RF   78.1 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.705   28.038  181.965 RF   78.0 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.862   32.433  178.320 RF   78.0 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  261.465   30.958  211.704 RF   77.9 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.296   30.768  159.195 RF   77.9 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.828   31.579  154.758 RF   77.8 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.820   38.127  146.797 RF   77.8 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.460   21.314  150.409 RF   77.7 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.463   11.731  223.636 RF   77.7 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  212.936   41.167  203.145 RF   77.6 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  273.241   25.466  218.527 RF   77.6 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   25.214   19.891  151.386 RF   77.5 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  182.024   40.582  148.556 RF   77.5 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  233.342   30.768  159.195 RF   77.5 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  186.873   43.841  170.156 RF   77.5 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  218.966   34.600  185.712 RF   77.4 RFZ  2.84 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  249.985    7.323  233.307 RF   77.3 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.036   32.648  147.192 RF   77.3 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.724    9.032  130.621 RF   77.3 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  116.193   13.908   85.859 RF   77.3 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  251.757   23.300  178.313 RF   77.3 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.035   34.851  174.050 RF   77.2 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.335   58.354  154.199 RF   77.2 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  305.879   28.560   99.448 RF   77.1 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   26.727   22.173  134.486 RF   77.1 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.224   25.260  140.714 RF   77.1 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.414    5.368  211.612 RF   77.0 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.724   13.530   93.504 RF   77.0 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   17.831   18.414  140.969 RF   76.9 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.664   28.496  175.086 RF   76.9 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  120.330   37.137  144.780 RF   76.8 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.583   29.426  173.150 RF   76.8 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.762   31.367  167.872 RF   76.8 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.876   44.557  156.213 RF   76.8 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  301.686   18.210  172.997 RF   76.8 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.392   19.880  167.093 RF   76.7 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  323.822   26.217  181.423 RF   76.7 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  187.914   33.960  177.620 RF   76.7 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  237.787   44.836  165.264 RF   76.7 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  235.281   18.530  222.803 RF   76.5 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.483   42.272  158.790 RF   76.5 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.722   30.768  159.195 RF   76.4 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.749   32.036  139.851 RF   76.3 RFZ  2.73 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  167.554   53.753  165.358 RF   76.3 RFZ  2.73 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   78.454   33.718  128.610 RF   76.3 RFZ  2.73 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  107.121   15.923  103.954 RF   76.3 RFZ  2.72 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    2.250   24.787  138.003 RF   76.3 RFZ  2.72 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  109.395   40.969  157.891 RF   76.2 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  230.234   50.904  176.489 RF   76.2 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  306.520   14.352   74.543 RF   76.1 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.868   17.129  138.121 RF   76.1 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.488   35.661  216.142 RF   76.1 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.109   33.304  152.137 RF   76.1 RFZ  2.70 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  215.092   52.358  172.249 RF   76.1 RFZ  2.70 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   39.722   18.231  145.587 RF   76.0 RFZ  2.70 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.664   30.768  159.195 RF   76.0 RFZ  2.69 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.480   30.768  159.195 RF   75.9 RFZ  2.69 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  327.778   16.454  154.763 RF   75.9 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.021   47.206  198.816 RF   75.9 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.664   23.050  182.201 RF   75.9 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.095   20.634  108.809 RF   75.9 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  270.077   26.844  178.929 RF   75.8 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.592   42.873  152.005 RF   75.8 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  200.885   37.243  147.962 RF   75.8 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   18.341   30.410  143.145 RF   75.8 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  263.507   21.063  136.319 RF   75.8 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  100.219   21.636  148.565 RF   75.8 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.242   27.811  147.025 RF   75.8 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  171.632   44.458  159.325 RF   75.8 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.893   24.939  180.164 RF   75.6 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  199.461   39.034  167.248 RF   75.6 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   64.513   16.068  223.409 RF   75.6 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  180.647   53.219  173.617 RF   75.5 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.059   39.286  172.292 RF   75.5 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  278.572   30.768  159.195 RF   75.5 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  359.138   23.339  175.345 RF   75.5 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.443   43.194  171.864 RF   75.4 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.299   19.821  136.813 RF   75.4 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   46.892   28.603  167.417 RF   75.4 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   21.642   36.352  153.484 RF   75.4 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.201   37.089  156.639 RF   75.4 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  109.534   18.020  110.510 RF   75.4 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.618   30.768  159.195 RF   75.3 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.820   37.772  178.440 RF   75.3 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.311   43.587  168.237 RF   75.3 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  205.995   55.362  156.266 RF   75.3 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  338.494   31.758  176.517 RF   75.3 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  167.913   39.885  143.186 RF   75.2 RFZ  2.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  245.347   32.164  155.672 RF   75.2 RFZ  2.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    7.035   35.908  152.205 RF   75.1 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  312.617   35.970  173.606 RF   75.1 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.946   24.365  161.788 RF   75.1 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.129   11.878  183.406 RF   75.1 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.170   40.468  144.627 RF   75.1 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.930   43.233  153.410 RF   75.1 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  216.502   28.412  146.594 RF   75.1 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.049   35.847  175.245 RF   75.0 RFZ  2.59 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  325.907   37.435  156.554 RF   75.0 RFZ  2.59 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  283.334    5.776  208.816 RF   74.9 RFZ  2.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.968   41.276  171.853 RF   74.9 RFZ  2.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  334.249   37.540  157.424 RF   74.9 RFZ  2.58 # DEEP

   This TF set has 247 trial orientations

   #    Euler                  Rot-LLG      RF     RFZ  Ensemble
   1     260.3   25.9  169.4      92.5    88.6     4.0 helix_pdb
   2      61.8   25.2  150.8      92.3    88.5     4.0 helix_pdb
   3      51.9   24.9  151.8      91.5    88.1     4.0 helix_pdb
   4     144.5   34.2  148.9      90.0    87.6     3.9 helix_pdb
   5      81.5   25.9  148.9      91.6    87.2     3.9 helix_pdb
   6      65.1   29.9  146.5      90.4    86.9     3.8 helix_pdb
   7     311.9   26.5  162.4      90.4    86.8     3.8 helix_pdb
   8     254.3   27.7  166.2      90.1    86.7     3.8 helix_pdb
   9     154.7   35.4  158.0      90.7    86.6     3.8 helix_pdb
   10    330.4   24.0  161.8      89.9    86.4     3.8 helix_pdb
   11    302.2   26.6  163.1      89.5    86.4     3.8 helix_pdb
   12    119.8   27.8  146.6      89.3    86.2     3.8 helix_pdb
   13    138.4   28.8  146.0      89.6    86.2     3.8 helix_pdb
   14     66.9   34.6  143.2      89.1    86.1     3.7 helix_pdb
   15     41.8   24.6  152.9      88.8    86.0     3.7 helix_pdb
   16     68.5   27.2  153.3      89.8    85.5     3.7 helix_pdb
   17    240.9   26.8  170.8      88.8    85.5     3.7 helix_pdb
   18     95.2   25.2  143.9      89.9    85.5     3.7 helix_pdb
   19    130.9   39.3  153.8      89.6    85.3     3.7 helix_pdb
   20    105.0   25.8  143.1      89.1    85.3     3.7 helix_pdb
   21    332.6   27.0  170.3      88.8    85.2     3.6 helix_pdb
   22     98.1   38.3  149.4      88.5    85.1     3.6 helix_pdb
   23    125.0   29.0  150.7      88.0    85.0     3.6 helix_pdb
   24    114.5   26.4  142.5      88.3    84.9     3.6 helix_pdb
   25    179.4   35.7  151.0      88.4    84.8     3.6 helix_pdb
   26    231.2   27.3  171.5      88.0    84.8     3.6 helix_pdb
   27     89.7   37.8  148.5      88.3    84.7     3.6 helix_pdb
   28     72.9   36.8  146.8      88.0    84.7     3.6 helix_pdb
   29    281.6   33.4  166.5      87.7    84.7     3.6 helix_pdb
   30    290.4   33.1  166.7      88.0    84.7     3.6 helix_pdb
   31     56.3   20.6  156.8      88.0    84.5     3.6 helix_pdb
   32    136.3   40.2  158.3      88.8    84.5     3.6 helix_pdb
   33    266.4   24.0  172.4      88.5    84.5     3.6 helix_pdb
   34     86.2   34.2  153.4      86.9    84.2     3.5 helix_pdb
   35    133.6   27.8  141.5      87.6    84.1     3.5 helix_pdb
   36    238.5   34.6  163.9      87.8    84.0     3.5 helix_pdb
   37      1.1   24.0  157.9      87.3    83.9     3.5 helix_pdb
   38    161.0   30.0  141.4      87.2    83.9     3.5 helix_pdb
   39    114.5   38.8  151.6      87.7    83.8     3.5 helix_pdb
   40    316.8   32.1  167.6      86.6    83.8     3.5 helix_pdb
   41    350.9   26.2  159.2      87.1    83.7     3.5 helix_pdb
   42    243.8   38.1  168.7      87.5    83.5     3.5 helix_pdb
   43    170.1   30.7  141.5      87.2    83.5     3.5 helix_pdb
   44    331.0   25.5  151.2      86.7    83.4     3.5 helix_pdb
   45    226.1   28.7  167.3      86.4    83.3     3.5 helix_pdb
   46     94.9   34.5  153.8      85.7    83.1     3.4 helix_pdb
   47    286.9   23.0  169.8      87.1    82.8     3.4 helix_pdb
   48     30.4   24.9  165.3      84.9    82.6     3.4 helix_pdb
   49    322.8   28.6  160.3      85.9    82.5     3.4 helix_pdb
   50    296.4   20.6  159.3      85.6    82.4     3.4 helix_pdb
   51    351.9   21.7  148.5      86.8    82.4     3.4 helix_pdb
   52    168.9   35.3  142.5      86.1    82.4     3.4 helix_pdb
   53    168.8   39.9  163.1      86.5    82.3     3.4 helix_pdb
   54     10.7   27.0  148.4      86.6    82.3     3.3 helix_pdb
   55    219.0   39.2  165.8      85.1    82.3     3.3 helix_pdb
   56    246.3   25.1  174.6      86.3    82.1     3.3 helix_pdb
   57    248.3   29.3  162.7      85.5    82.1     3.3 helix_pdb
   58    188.5   36.1  151.9      85.6    82.1     3.3 helix_pdb
   59    276.5   23.5  171.3      86.4    82.1     3.3 helix_pdb
   60     29.9   26.5  156.0      84.3    81.6     3.3 helix_pdb
   61    217.5   27.2  176.3      84.4    81.5     3.3 helix_pdb
   62    152.6   30.0  150.4      84.8    81.5     3.3 helix_pdb
   63    242.6   48.3  196.3      84.8    81.5     3.3 helix_pdb
   64    335.6   60.2  153.7      84.6    81.5     3.3 helix_pdb
   65    302.5   34.5  174.6      84.8    81.4     3.3 helix_pdb
   66    285.3   35.8  173.3      85.0    81.4     3.3 helix_pdb
   ----- angles below here for deep search only -----
   67    232.6   37.5  171.1      85.0    81.3     3.2 helix_pdb
   68    221.3   35.0  162.8      83.9    81.3     3.2 helix_pdb
   69    165.5   35.6  167.6      84.0    81.3     3.2 helix_pdb
   70     42.6   32.8  151.2      83.3    81.3     3.2 helix_pdb
   71    204.2   35.1  161.6      84.0    81.2     3.2 helix_pdb
   72     27.1   27.8  147.5      85.1    81.2     3.2 helix_pdb
   73    174.8   35.2  168.2      84.1    81.2     3.2 helix_pdb
   74    248.5   40.7  162.8      84.2    80.9     3.2 helix_pdb
   75    131.6   36.7  164.2      83.4    80.7     3.2 helix_pdb
   76    163.6   40.0  158.2      84.2    80.7     3.2 helix_pdb
   77    155.4   40.0  157.0      84.0    80.7     3.2 helix_pdb
   78     63.1   47.9  196.7      83.5    80.7     3.2 helix_pdb
   79     55.9   49.4  194.2      84.2    80.6     3.2 helix_pdb
   80     10.9   21.0  165.8      84.0    80.6     3.2 helix_pdb
   81    266.8   29.1  162.3      83.8    80.4     3.2 helix_pdb
   82    260.3   37.3  170.7      84.4    80.3     3.1 helix_pdb
   83     74.0   36.1  212.8      83.1    80.2     3.1 helix_pdb
   84     60.8   26.6  129.6      84.0    80.2     3.1 helix_pdb
   85    352.1   21.6  169.2      83.8    80.1     3.1 helix_pdb
   86    195.6   35.3  161.0      82.8    80.1     3.1 helix_pdb
   87     84.5   21.2  136.3      83.7    79.9     3.1 helix_pdb
   88    207.9   27.9  176.7      81.9    79.9     3.1 helix_pdb
   89    276.8   36.5  172.7      83.3    79.9     3.1 helix_pdb
   90     82.2   32.1  212.8      82.5    79.9     3.1 helix_pdb
   91    341.6   28.5  159.6      83.0    79.9     3.1 helix_pdb
   92    170.8   30.8  150.4      83.7    79.8     3.1 helix_pdb
   93     38.9   16.4  156.1      82.2    79.7     3.1 helix_pdb
   94    140.1   44.1  153.2      83.6    79.7     3.1 helix_pdb
   95    139.5   30.1  154.8      82.5    79.6     3.1 helix_pdb
   96    194.3   50.7  192.8      82.9    79.6     3.1 helix_pdb
   97    264.7   40.4  165.3      82.9    79.6     3.1 helix_pdb
   98     19.0   28.6  158.1      82.3    79.5     3.1 helix_pdb
   99    183.4   40.2  156.6      83.3    79.5     3.1 helix_pdb
   100    31.3   27.0  139.0      83.1    79.5     3.1 helix_pdb
   101   232.6   52.2  186.1      83.1    79.5     3.1 helix_pdb
   102     9.7   28.5  158.4      82.5    79.5     3.1 helix_pdb
   103   206.2   45.3  158.5      82.7    79.4     3.1 helix_pdb
   104    35.0   58.5  174.9      82.7    79.4     3.0 helix_pdb
   105   227.3   54.3  181.4      82.9    79.3     3.0 helix_pdb
   106   147.2   28.4  136.6      82.5    79.3     3.0 helix_pdb
   107    21.9   46.5  196.2      82.2    79.3     3.0 helix_pdb
   108   194.8   32.1  146.9      81.8    79.3     3.0 helix_pdb
   109    42.4   57.7  177.4      82.7    79.2     3.0 helix_pdb
   110    12.5   21.8  155.4      83.0    79.2     3.0 helix_pdb
   111    49.3   33.3  141.9      81.6    79.2     3.0 helix_pdb
   112    79.3   28.9  129.8      83.4    79.2     3.0 helix_pdb
   113    88.6   14.5  113.8      81.8    79.1     3.0 helix_pdb
   114   130.3   30.0  155.0      81.7    79.1     3.0 helix_pdb
   115   137.9   55.7  141.6      82.7    79.1     3.0 helix_pdb
   116    37.7   34.4  143.8      81.2    79.1     3.0 helix_pdb
   117   224.3   30.8  179.4      82.5    79.0     3.0 helix_pdb
   118   197.6   45.3  156.8      82.2    79.0     3.0 helix_pdb
   119   210.9   39.5  164.7      82.0    79.0     3.0 helix_pdb
   120   353.6   30.7  168.0      81.6    78.9     3.0 helix_pdb
   121   108.2   30.0  138.9      82.7    78.9     3.0 helix_pdb
   122   285.4   20.6  161.4      81.8    78.9     3.0 helix_pdb
   123    99.1   29.2  139.0      82.5    78.9     3.0 helix_pdb
   124   193.4   46.2  192.8      82.2    78.9     3.0 helix_pdb
   125   192.6   30.3  164.0      81.6    78.8     3.0 helix_pdb
   126   207.4   29.4  167.8      81.5    78.8     3.0 helix_pdb
   127   300.4   24.4   96.6      81.8    78.8     3.0 helix_pdb
   128    47.3   26.9  133.6      82.7    78.7     3.0 helix_pdb
   129   176.1   30.9  154.4      81.9    78.7     3.0 helix_pdb
   130     9.3   30.0  168.0      81.0    78.5     3.0 helix_pdb
   131   156.7   29.3  136.4      81.7    78.5     3.0 helix_pdb
   132   214.4   56.8  174.0      81.6    78.5     3.0 helix_pdb
   133   112.0   29.6  155.3      80.8    78.5     3.0 helix_pdb
   134   221.5   32.7  151.4      80.7    78.4     2.9 helix_pdb
   135   209.8   41.8  153.0      81.9    78.4     2.9 helix_pdb
   136   206.2   37.0  179.7      82.0    78.4     2.9 helix_pdb
   137   125.6   40.9  160.4      81.3    78.4     2.9 helix_pdb
   138    84.5   31.1  134.0      83.0    78.3     2.9 helix_pdb
   139   197.3   40.3  158.6      81.7    78.2     2.9 helix_pdb
   140    14.3   23.5  135.7      81.7    78.2     2.9 helix_pdb
   141   201.2   44.7  195.4      80.9    78.2     2.9 helix_pdb
   142   156.3   53.8  154.8      81.0    78.2     2.9 helix_pdb
   143    31.1   25.2  134.3      81.3    78.1     2.9 helix_pdb
   144   128.8   26.6  137.0      82.1    78.1     2.9 helix_pdb
   145   177.1   30.6  164.1      80.7    78.1     2.9 helix_pdb
   146   153.8   30.8  159.2      81.2    78.1     2.9 helix_pdb
   147   174.5   39.8  171.1      81.7    78.1     2.9 helix_pdb
   148   304.7   28.0  182.0      82.2    78.0     2.9 helix_pdb
   149   206.9   32.4  178.3      81.7    78.0     2.9 helix_pdb
   150   261.5   31.0  211.7      81.3    77.9     2.9 helix_pdb
   151   224.3   30.8  159.2      80.3    77.9     2.9 helix_pdb
   152   209.8   31.6  154.8      80.2    77.8     2.9 helix_pdb
   153   136.8   38.1  146.8      81.0    77.8     2.9 helix_pdb
   154    89.5   21.3  150.4      79.9    77.7     2.9 helix_pdb
   155    72.5   11.7  223.6      80.5    77.7     2.9 helix_pdb
   156   212.9   41.2  203.1      80.4    77.6     2.9 helix_pdb
   157   273.2   25.5  218.5      80.8    77.6     2.9 helix_pdb
   158    25.2   19.9  151.4      81.0    77.5     2.9 helix_pdb
   159   182.0   40.6  148.6      81.5    77.5     2.9 helix_pdb
   160   233.3   30.8  159.2      80.3    77.5     2.8 helix_pdb
   161   186.9   43.8  170.2      80.5    77.5     2.8 helix_pdb
   162   219.0   34.6  185.7      81.6    77.4     2.8 helix_pdb
   163   250.0    7.3  233.3      80.3    77.3     2.8 helix_pdb
   164   204.0   32.6  147.2      79.6    77.3     2.8 helix_pdb
   165    63.7    9.0  130.6      79.9    77.3     2.8 helix_pdb
   166   116.2   13.9   85.9      80.6    77.3     2.8 helix_pdb
   167   251.8   23.3  178.3      81.0    77.3     2.8 helix_pdb
   168   179.0   34.9  174.0      80.0    77.2     2.8 helix_pdb
   169   156.3   58.4  154.2      80.2    77.2     2.8 helix_pdb
   170   305.9   28.6   99.4      80.3    77.1     2.8 helix_pdb
   171    26.7   22.2  134.5      81.2    77.1     2.8 helix_pdb
   172    52.2   25.3  140.7      80.5    77.1     2.8 helix_pdb
   173   101.4    5.4  211.6      79.8    77.0     2.8 helix_pdb
   174   287.7   13.5   93.5      79.3    77.0     2.8 helix_pdb
   175    17.8   18.4  141.0      80.1    76.9     2.8 helix_pdb
   176   350.7   28.5  175.1      79.7    76.9     2.8 helix_pdb
   177   120.3   37.1  144.8      80.6    76.8     2.8 helix_pdb
   178   192.6   29.4  173.2      78.5    76.8     2.8 helix_pdb
   179   155.8   31.4  167.9      79.5    76.8     2.8 helix_pdb
   180   155.9   44.6  156.2      80.0    76.8     2.8 helix_pdb
   181   301.7   18.2  173.0      81.0    76.8     2.8 helix_pdb
   182   316.4   19.9  167.1      79.9    76.7     2.8 helix_pdb
   183   323.8   26.2  181.4      80.5    76.7     2.8 helix_pdb
   184   187.9   34.0  177.6      80.0    76.7     2.8 helix_pdb
   185   237.8   44.8  165.3      80.3    76.7     2.8 helix_pdb
   186   235.3   18.5  222.8      80.2    76.5     2.7 helix_pdb
   187   242.5   42.3  158.8      79.7    76.5     2.7 helix_pdb
   188   144.7   30.8  159.2      79.4    76.4     2.7 helix_pdb
   189   239.7   32.0  139.9      78.5    76.3     2.7 helix_pdb
   190   167.6   53.8  165.4      79.5    76.3     2.7 helix_pdb
   191    78.5   33.7  128.6      79.5    76.3     2.7 helix_pdb
   192   107.1   15.9  104.0      79.9    76.3     2.7 helix_pdb
   193     2.3   24.8  138.0      79.2    76.3     2.7 helix_pdb
   194   109.4   41.0  157.9      79.0    76.2     2.7 helix_pdb
   195   230.2   50.9  176.5      79.0    76.2     2.7 helix_pdb
   196   306.5   14.4   74.5      79.8    76.1     2.7 helix_pdb
   197    55.9   17.1  138.1      79.0    76.1     2.7 helix_pdb
   198    81.5   35.7  216.1      78.6    76.1     2.7 helix_pdb
   199   239.1   33.3  152.1      78.0    76.1     2.7 helix_pdb
   200   215.1   52.4  172.2      78.6    76.1     2.7 helix_pdb
   201    39.7   18.2  145.6      79.3    76.0     2.7 helix_pdb
   202   296.7   30.8  159.2      78.3    76.0     2.7 helix_pdb
   203   260.5   30.8  159.2      79.2    75.9     2.7 helix_pdb
   204   327.8   16.5  154.8      79.9    75.9     2.7 helix_pdb
   205    30.0   47.2  198.8      78.1    75.9     2.7 helix_pdb
   206   332.7   23.1  182.2      79.4    75.9     2.7 helix_pdb
   207   101.1   20.6  108.8      80.1    75.9     2.7 helix_pdb
   208   270.1   26.8  178.9      79.6    75.8     2.7 helix_pdb
   209   219.6   42.9  152.0      78.4    75.8     2.7 helix_pdb
   210   200.9   37.2  148.0      78.6    75.8     2.7 helix_pdb
   211    18.3   30.4  143.1      78.6    75.8     2.7 helix_pdb
   212   263.5   21.1  136.3      78.1    75.8     2.7 helix_pdb
   213   100.2   21.6  148.6      78.2    75.8     2.7 helix_pdb
   214   206.2   27.8  147.0      78.8    75.8     2.7 helix_pdb
   215   171.6   44.5  159.3      79.1    75.8     2.7 helix_pdb
   216   231.9   24.9  180.2      80.1    75.6     2.7 helix_pdb
   217   199.5   39.0  167.2      78.3    75.6     2.6 helix_pdb
   218    64.5   16.1  223.4      77.6    75.6     2.6 helix_pdb
   219   180.6   53.2  173.6      78.5    75.5     2.6 helix_pdb
   220   183.1   39.3  172.3      78.5    75.5     2.6 helix_pdb
   221   278.6   30.8  159.2      78.3    75.5     2.6 helix_pdb
   222   359.1   23.3  175.3      78.5    75.5     2.6 helix_pdb
   223   195.4   43.2  171.9      79.2    75.4     2.6 helix_pdb
   224    37.3   19.8  136.8      79.2    75.4     2.6 helix_pdb
   225    46.9   28.6  167.4      77.9    75.4     2.6 helix_pdb
   226    21.6   36.4  153.5      78.1    75.4     2.6 helix_pdb
   227    56.2   37.1  156.6      77.8    75.4     2.6 helix_pdb
   228   109.5   18.0  110.5      78.4    75.4     2.6 helix_pdb
   229   287.6   30.8  159.2      77.8    75.3     2.6 helix_pdb
   230   197.8   37.8  178.4      78.1    75.3     2.6 helix_pdb
   231   217.3   43.6  168.2      77.9    75.3     2.6 helix_pdb
   232   206.0   55.4  156.3      78.8    75.3     2.6 helix_pdb
   233   338.5   31.8  176.5      78.4    75.3     2.6 helix_pdb
   234   167.9   39.9  143.2      79.2    75.2     2.6 helix_pdb
   235   245.3   32.2  155.7      78.5    75.2     2.6 helix_pdb
   236     7.0   35.9  152.2      77.9    75.1     2.6 helix_pdb
   237   312.6   36.0  173.6      78.0    75.1     2.6 helix_pdb
   238   239.9   24.4  161.8      78.1    75.1     2.6 helix_pdb
   239   300.1   11.9  183.4      77.4    75.1     2.6 helix_pdb
   240   176.2   40.5  144.6      79.2    75.1     2.6 helix_pdb
   241   227.9   43.2  153.4      77.8    75.1     2.6 helix_pdb
   242   216.5   28.4  146.6      78.3    75.1     2.6 helix_pdb
   243   238.0   35.8  175.2      78.6    75.0     2.6 helix_pdb
   244   325.9   37.4  156.6      77.5    75.0     2.6 helix_pdb
   245   283.3    5.8  208.8      77.7    74.9     2.6 helix_pdb
   246   154.0   41.3  171.9      78.2    74.9     2.6 helix_pdb
   247   334.2   37.5  157.4      77.7    74.9     2.6 helix_pdb
      66 trial orientations in initial search
      181 trial orientations in deep search

   Scoring 741 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #2 of 8
   0%          100%
   |============| DONE

   Mean Score (Sigma):       34.62   (10.92)

   SET #2 of 8 TRIAL #1 of 66
   --------------------------
   Ensemble helix_pdb Euler 260.25  25.95 169.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 56 sites over 67.5% of top
   56 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.758  0.995  0.432     104.50  5.36
   2      0.258  0.495  0.432     104.50  5.36
   3      0.747  0.479  0.563     104.02  5.29
   #Sites = 56: output truncated to 3 sites

   Top 56 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #1 of 66
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.747  0.479  0.563     99.704  5.29   0.0      6     104.02/    104.50
   2      0.251  0.047  0.339     88.801  4.06  12.0      2      96.57/     96.57
   3      0.611  0.433  0.220     87.067  4.27  16.7      2      97.82/     97.82
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #2 of 66
   --------------------------
   Ensemble helix_pdb Euler  61.81  25.19 150.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 74 sites over 67.5% of top
   74 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.840  0.340  0.443     100.21  4.61
   2      0.340  0.840  0.443     100.21  4.61
   3      0.370  0.001  0.592      99.49  4.49
   #Sites = 74: output truncated to 3 sites

   Top 74 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #2 of 66
   0%   100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 26 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.840  0.340  0.443     88.896  4.61   0.0      4     100.21/    100.21
   2      0.598  0.971  0.053     85.757  4.16  21.8      4      97.39/     97.43
   3      0.870  0.501  0.592     84.580  4.49   8.9      4      99.49/     99.49
   #SITES = 26: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #3 of 66
   --------------------------
   Ensemble helix_pdb Euler  51.87  24.86 151.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 36 sites over 67.5% of top
   36 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.398  0.046  0.595     97.480  4.39
   2      0.898  0.546  0.595     97.480  4.39
   3      0.376  0.962  0.591     97.308  4.36
   #Sites = 36: output truncated to 3 sites

   Top 36 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #3 of 66
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 13 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.401  0.869  0.943     84.657  4.29   0.0      2     96.873/    96.873
   2      0.876  0.462  0.591     84.163  4.36  27.9      4     97.308/    97.308
   3      0.924  0.460  0.702     82.902  4.01  32.9      2     95.147/    95.147
   #SITES = 13: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #4 of 66
   --------------------------
   Ensemble helix_pdb Euler 144.54  34.20 148.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 44 sites over 67.5% of top
   44 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.752  0.548  0.818     100.63  4.85
   2      0.252  0.048  0.818     100.63  4.85
   3      0.282  0.041  0.183      99.90  4.73
   #Sites = 44: output truncated to 3 sites

   Top 44 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #4 of 66
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 16 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.752  0.548  0.818     86.985  4.85   0.0      4     100.63/    100.63
   2      0.757  0.011  0.629     85.946  4.15  16.5      6      96.20/     96.20
   3      0.252  0.459  0.816     85.450  4.56  40.1      4      98.82/     98.82
   #SITES = 16: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #5 of 66
   --------------------------
   Ensemble helix_pdb Euler  81.53  25.92 148.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 52 sites over 67.5% of top
   52 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.775  0.031  0.512     99.381  4.67
   2      0.275  0.531  0.512     99.381  4.67
   3      0.790  0.547  0.377     98.229  4.49
   #Sites = 52: output truncated to 3 sites

   Top 52 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #5 of 66
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 16 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.775  0.031  0.512     87.663  4.67   0.0      2     99.381/    99.381
   2      0.791  0.380  0.226     87.036  4.46  20.8      2     98.057/    98.057
   3      0.929  0.017  0.578     85.919  3.93  12.0      4     94.707/    94.707
   #SITES = 16: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #6 of 66
   --------------------------
   Ensemble helix_pdb Euler  65.08  29.91 146.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 20 sites over 67.5% of top
   20 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.740  0.872  0.385     98.215  4.65
   2      0.240  0.372  0.385     98.215  4.65
   3      0.372  0.417  0.721     97.357  4.51
   #Sites = 20: output truncated to 3 sites

   Top 20 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #6 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.240  0.372  0.385     92.037  4.65   0.0      2     98.215/    98.215
   2      0.780  0.304  0.694     87.345  4.44   4.4      2     96.941/    96.941
   3      0.307  0.345  0.048     83.327  4.36  25.8      2     96.398/    96.398
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #7 of 66
   --------------------------
   Ensemble helix_pdb Euler 311.90  26.45 162.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 42 sites over 67.5% of top
   42 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.359  0.558  0.559     102.71  5.19
   2      0.859  0.058  0.559     102.71  5.19
   3      0.365  0.557  0.568     100.59  4.85
   #Sites = 42: output truncated to 3 sites

   Top 42 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #7 of 66
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.202  0.037  0.351     89.014  4.27   0.0      4     96.898/    96.898
   2      0.365  0.557  0.568     84.340  4.85  16.7      4    100.590/   102.708
   3      0.774  0.721  0.524     81.763  4.10  10.1      2     95.856/    95.856
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #8 of 66
   --------------------------
   Ensemble helix_pdb Euler 254.25  27.73 166.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 32 sites over 67.5% of top
   32 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.738  0.024  0.425     102.11  5.04
   2      0.238  0.524  0.425     102.11  5.04
   3      0.342  0.521  0.656     100.86  4.83
   #Sites = 32: output truncated to 3 sites

   Top 32 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #8 of 66
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.728  0.516  0.558     91.248  4.38   0.0      2     98.081/    98.081
   2      0.673  0.497  0.440     89.084  4.40   5.8      4     98.156/    99.035
   3      0.536  0.435  0.873     84.975  4.28  22.0      4     97.419/    97.419
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #9 of 66
   --------------------------
   Ensemble helix_pdb Euler 154.74  35.36 158.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 58 sites over 67.5% of top
   58 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.282  0.434  0.736     101.92  4.98
   2      0.782  0.934  0.736     101.92  4.98
   3      0.687  0.635  0.212     100.16  4.70
   #Sites = 58: output truncated to 3 sites

   Top 58 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #9 of 66
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 14 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.647  0.879  0.395     89.340  4.68   0.0      4     100.01/    100.01
   2      0.757  0.459  0.179     84.942  4.19  23.9      2      97.00/     97.00
   3      0.282  0.434  0.736     83.771  4.98  17.2      4     101.92/    101.92
   #SITES = 14: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #10 of 66
   ---------------------------
   Ensemble helix_pdb Euler 330.42  24.03 161.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.784  0.601  0.482     100.52  5.24
   2      0.284  0.101  0.482     100.52  5.24
   3      0.780  0.603  0.476      98.74  4.95
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #10 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.784  0.601  0.482     96.607  5.24   0.0      4     100.52/    100.52
   2      0.589  0.580  0.029     84.666  4.32  22.0      2      94.86/     94.86
   3      0.936  0.099  0.686     81.465  4.56  16.5      2      96.36/     96.36

   SET #2 of 8 TRIAL #11 of 66
   ---------------------------
   Ensemble helix_pdb Euler 302.20  26.60 163.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 26 sites over 67.5% of top
   26 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.349  0.538  0.556     98.415  4.62
   2      0.849  0.038  0.556     98.415  4.62
   3      0.693  0.509  0.346     97.164  4.43
   #Sites = 26: output truncated to 3 sites

   Top 26 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #11 of 66
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.193  0.009  0.346     90.681  4.43   0.0      4     97.164/    97.164
   2      0.356  0.533  0.451     79.550  4.20  16.4      4     95.711/    96.799
   3      0.279  0.565  0.236     78.091  4.29  17.2      2     96.332/    96.332
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #12 of 66
   ---------------------------
   Ensemble helix_pdb Euler 119.80  27.80 146.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 26 sites over 67.5% of top
   26 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.316  0.654  0.932     101.86  5.14
   2      0.816  0.154  0.932     101.86  5.14
   3      0.297  0.085  0.498     101.85  5.14
   #Sites = 26: output truncated to 3 sites

   Top 26 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #12 of 66
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.816  0.154  0.932     86.078  5.14   0.0      4     101.86/    101.86
   2      0.963  0.045  0.491     85.787  4.26  28.8      2      96.46/     96.46
   3      0.316  0.136  0.933     83.640  4.97  46.1      4     100.84/    100.84
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #13 of 66
   ---------------------------
   Ensemble helix_pdb Euler 138.41  28.85 146.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 26 sites over 67.5% of top
   26 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.753  0.630  0.827     100.72  5.01
   2      0.253  0.130  0.827     100.72  5.01
   3      0.298  0.621  0.940      98.61  4.67
   #Sites = 26: output truncated to 3 sites

   Top 26 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #13 of 66
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.753  0.630  0.827     88.138  5.01   0.0      4     100.72/    100.72
   2      0.317  0.634  0.489     83.557  4.19  16.7      4      95.67/     95.67
   3      0.799  0.627  0.941     82.289  4.62   5.5      2      98.33/     98.33
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #14 of 66
   ---------------------------
   Ensemble helix_pdb Euler  66.88  34.65 143.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.732  0.786  0.369     96.973  4.72
   2      0.232  0.286  0.369     96.973  4.72
   3      0.734  0.303  0.579     94.922  4.37
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #14 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.732  0.786  0.369     87.328  4.72   0.0      2     96.973/    96.973
   2      0.988  0.903  0.686     86.378  4.37  18.9      2     94.893/    94.893
   3      0.305  0.250  0.037     83.150  4.36  26.2      2     94.847/    94.847
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #15 of 66
   ---------------------------
   Ensemble helix_pdb Euler  41.80  24.60 152.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.771  0.416  0.258     96.726  4.74
   2      0.271  0.916  0.258     96.726  4.74
   3      0.403  0.992  0.594     95.368  4.52
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #15 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.271  0.916  0.258     85.542  4.74   0.0      2     96.726/    96.726

   SET #2 of 8 TRIAL #16 of 66
   ---------------------------
   Ensemble helix_pdb Euler  68.53  27.20 153.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 48 sites over 67.5% of top
   48 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.813  0.358  0.428     97.837  4.39
   2      0.313  0.858  0.428     97.837  4.39
   3      0.788  0.499  0.370     97.291  4.30
   #Sites = 48: output truncated to 3 sites

   Top 48 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #16 of 66
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 13 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.787  0.327  0.217     83.114  4.26   0.0      2     97.049/    97.049
   2      0.805  0.079  0.801     83.012  4.07  28.1      2     95.877/    95.877
   3      0.820  0.360  0.436     82.121  4.15  12.2      4     96.364/    97.837
   #SITES = 13: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #17 of 66
   ---------------------------
   Ensemble helix_pdb Euler 240.92  26.84 170.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.270  0.022  0.669     97.671  4.83
   2      0.770  0.522  0.669     97.671  4.83
   3      0.392  0.485  0.662     96.985  4.71
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #17 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.770  0.522  0.669     84.858  4.83   0.0      2     97.671/    97.671
   2      0.033  0.909  0.874     83.506  4.59  20.9      2     96.257/    96.257
   3      0.568  0.267  0.148     76.531  4.27  26.1      2     94.344/    94.344
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #18 of 66
   ---------------------------
   Ensemble helix_pdb Euler  95.22  25.15 143.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.596  0.602  0.051     95.594  4.46
   2      0.096  0.102  0.051     95.594  4.46
   3      0.619  0.105  0.606     95.458  4.43
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #18 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.751  0.162  0.160     77.564  4.39   0.0      2     95.223/    95.223
   2      0.619  0.105  0.606     72.809  4.43  28.9      2     95.458/    95.458
   3      0.096  0.102  0.051     71.794  4.46  25.0      2     95.594/    95.594
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #19 of 66
   ---------------------------
   Ensemble helix_pdb Euler 130.85  39.28 153.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.686  0.896  0.388     97.035  5.11
   2      0.186  0.396  0.388     97.035  5.11
   3      0.677  0.621  0.088     96.046  4.95
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #19 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.186  0.396  0.388     95.075  5.11   0.0      6     97.035/    97.035
   2      0.724  0.847  0.696     86.340  4.79  16.5      2     95.104/    95.104
   3      0.177  0.121  0.088     84.440  4.95  19.6      2     96.046/    96.046

   SET #2 of 8 TRIAL #20 of 66
   ---------------------------
   Ensemble helix_pdb Euler 105.00  25.77 143.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.608  0.128  0.606     96.036  4.56
   2      0.108  0.628  0.606     96.036  4.56
   3      0.388  0.127  0.718     94.479  4.31
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #20 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.917  0.096  0.587     89.191  4.30   0.0      2     94.412/    94.412
   2      0.888  0.627  0.718     80.876  4.31  15.2      2     94.479/    94.479

   SET #2 of 8 TRIAL #21 of 66
   ---------------------------
   Ensemble helix_pdb Euler 332.57  27.01 170.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.429  0.645  0.030     94.278  4.50
   2      0.929  0.145  0.030     94.278  4.50
   3      0.799  0.943  0.529     94.057  4.46
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #21 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.429  0.645  0.030     83.691  4.50   0.0      2     94.278/    94.278
   2      0.013  0.650  0.452     81.291  4.43  31.4      2     93.891/    93.891
   3      0.386  0.252  0.446     80.941  4.44  27.4      2     93.929/    93.929
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #22 of 66
   ---------------------------
   Ensemble helix_pdb Euler  98.11  38.34 149.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.750  0.905  0.490     94.727  4.61
   2      0.250  0.405  0.490     94.727  4.61
   3      0.791  0.221  0.413     94.388  4.55
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #22 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.750  0.905  0.490     83.462  4.61   0.0      2     94.727/    94.727
   2      0.291  0.721  0.413     76.036  4.55  10.1      2     94.388/    94.388

   SET #2 of 8 TRIAL #23 of 66
   ---------------------------
   Ensemble helix_pdb Euler 125.04  28.98 150.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 62 sites over 67.5% of top
   62 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.302  0.105  0.935     101.74  4.96
   2      0.802  0.605  0.935     101.74  4.96
   3      0.756  0.607  0.822      99.80  4.65
   #Sites = 62: output truncated to 3 sites

   Top 62 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #23 of 66
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 13 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.251  0.112  0.816     85.202  4.51   0.0      4     98.855/    99.796
   2      0.010  0.973  0.617     83.399  4.06  17.4      2     96.075/    96.075
   3      0.802  0.605  0.935     82.980  4.96  44.6      6    101.739/   101.739
   #SITES = 13: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #24 of 66
   ---------------------------
   Ensemble helix_pdb Euler 114.54  26.45 142.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.446  0.996  0.180     95.025  4.44
   2      0.946  0.496  0.180     95.025  4.44
   3      0.315  0.110  0.504     94.644  4.38
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #24 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.318  0.929  0.351     88.915  4.27   0.0      2     94.012/    94.012
   2      0.912  0.104  0.604     86.059  4.27  23.6      2     94.011/    94.011
   3      0.337  0.689  0.939     83.143  4.36  27.9      2     94.579/    94.579
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #25 of 66
   ---------------------------
   Ensemble helix_pdb Euler 179.38  35.69 151.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.704  0.439  0.390     99.887  5.28
   2      0.204  0.939  0.390     99.887  5.28
   3      0.698  0.438  0.385     99.308  5.19
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #25 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.753  0.258  0.347     86.265  4.51   0.0      2     95.151/    95.151
   2      0.204  0.939  0.390     80.548  5.28  16.3      4     99.887/    99.887
   3      0.804  0.426  0.622     79.129  4.42  15.4      2     94.612/    94.612

   SET #2 of 8 TRIAL #26 of 66
   ---------------------------
   Ensemble helix_pdb Euler 231.17  27.28 171.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.260  0.037  0.669     97.722  4.82
   2      0.760  0.537  0.669     97.722  4.82
   3      0.523  0.427  0.872     96.173  4.55
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #26 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.760  0.537  0.669     89.132  4.82   0.0      2     97.722/    97.722
   2      0.523  0.427  0.872     83.464  4.55  26.6      2     96.173/    96.173

   SET #2 of 8 TRIAL #27 of 66
   ---------------------------
   Ensemble helix_pdb Euler  89.72  37.80 148.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.757  0.882  0.491     97.944  5.10
   2      0.257  0.382  0.491     97.944  5.10
   3      0.333  0.435  0.150     95.959  4.76
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #27 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.333  0.435  0.150     86.921  4.76   0.0      2     95.959/    95.959
   2      0.257  0.382  0.491     83.824  5.10  26.8      2     97.944/    97.944

   SET #2 of 8 TRIAL #28 of 66
   ---------------------------
   Ensemble helix_pdb Euler  72.90  36.76 146.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #29 of 66
   ---------------------------
   Ensemble helix_pdb Euler 281.57  33.45 166.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.729  0.004  0.165     98.121  4.91
   2      0.229  0.504  0.165     98.121  4.91
   3      0.745  0.599  0.746     96.979  4.72
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #29 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.664  0.629  0.329     86.264  4.61   0.0      2     96.315/    96.315
   2      0.729  0.004  0.165     81.037  4.91  17.4      2     98.121/    98.121
   3      0.245  0.099  0.746     79.029  4.72  16.4      2     96.979/    96.979
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #30 of 66
   ---------------------------
   Ensemble helix_pdb Euler 290.39  33.10 166.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 30 sites over 67.5% of top
   30 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.709  0.722  0.640     97.252  4.71
   2      0.209  0.222  0.640     97.252  4.71
   3      0.314  0.605  0.039     96.701  4.62
   #Sites = 30: output truncated to 3 sites

   Top 30 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #30 of 66
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.674  0.639  0.335     85.072  4.35   0.0      4     95.033/    95.033
   2      0.324  0.139  0.393     82.777  4.24  20.9      2     94.387/    94.387
   3      0.709  0.722  0.640     82.694  4.71  17.6      2     97.252/    97.252
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #31 of 66
   ---------------------------
   Ensemble helix_pdb Euler  56.35  20.61 156.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #32 of 66
   ---------------------------
   Ensemble helix_pdb Euler 136.29  40.23 158.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.673  0.846  0.385     100.60  5.70
   2      0.173  0.346  0.385     100.60  5.70
   3      0.674  0.852  0.388      97.06  5.10
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #32 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.673  0.846  0.385     99.667  5.70   0.0      6     100.60/    100.60
   2      0.212  0.299  0.694     84.913  5.05  18.0      2      96.74/     96.74

   SET #2 of 8 TRIAL #33 of 66
   ---------------------------
   Ensemble helix_pdb Euler 266.43  24.03 172.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.771  0.459  0.580     102.73  6.00
   2      0.271  0.959  0.580     102.73  6.00
   3      0.767  0.457  0.572     100.73  5.66
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #33 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.771  0.459  0.580     104.06  6.00   0.0      4     102.73/    102.73
   2      0.632  0.415  0.228      90.75  5.11  17.1      2      97.40/     97.40
   3      0.127  0.369  0.217      87.30  4.47  10.1      2      93.61/     93.61

   SET #2 of 8 TRIAL #34 of 66
   ---------------------------
   Ensemble helix_pdb Euler  86.17  34.18 153.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 48 sites over 67.5% of top
   48 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.579  0.874  0.526     100.69  4.89
   2      0.079  0.374  0.526     100.69  4.89
   3      0.759  0.403  0.355      99.65  4.72
   #Sites = 48: output truncated to 3 sites

   Top 48 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #34 of 66
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 18 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.243  0.438  0.489     79.233  4.22   0.0      2     96.550/    96.550
   2      0.818  0.466  0.140     78.288  4.23  27.5      4     96.616/    96.993
   3      0.234  0.833  0.685     77.865  3.92  16.0      2     94.729/    94.729
   #SITES = 18: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #35 of 66
   ---------------------------
   Ensemble helix_pdb Euler 133.57  27.81 141.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.313  0.683  0.937     99.472  5.43
   2      0.813  0.183  0.937     99.472  5.43
   3      0.318  0.684  0.946     97.041  5.03
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #35 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.922  0.513  0.181     87.342  4.50   0.0      2     93.829/    93.829
   2      0.313  0.683  0.937     87.246  5.43  18.3      4     99.472/    99.472
   3      0.944  0.080  0.733     85.780  4.70  31.5      2     95.066/    95.066

   SET #2 of 8 TRIAL #36 of 66
   ---------------------------
   Ensemble helix_pdb Euler 238.45  34.59 163.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 22 sites over 67.5% of top
   22 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.484  0.522  0.959     96.993  4.77
   2      0.984  0.022  0.959     96.993  4.77
   3      0.483  0.118  0.459     96.621  4.71
   #Sites = 22: output truncated to 3 sites

   Top 22 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #36 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.817  0.650  0.489     84.531  4.25   0.0      2     93.780/    93.780
   2      0.747  0.608  0.845     84.128  4.57  27.2      4     95.719/    95.719
   3      0.185  0.654  0.298     83.128  4.68  13.6      4     96.402/    96.402
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #37 of 66
   ---------------------------
   Ensemble helix_pdb Euler   1.14  23.98 157.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.387  0.448  0.719     95.207  4.75
   2      0.887  0.948  0.719     95.207  4.75
   3      0.862  0.149  0.822     94.049  4.56
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #37 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.387  0.448  0.719     82.921  4.75   0.0      2     95.207/    95.207
   2      0.362  0.649  0.822     82.884  4.56   9.5      2     94.049/    94.049
   3      0.822  0.840  0.550     77.715  4.48  18.1      2     93.503/    93.503
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #38 of 66
   ---------------------------
   Ensemble helix_pdb Euler 160.97  29.98 141.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.362  0.070  0.836     96.478  4.63
   2      0.862  0.570  0.836     96.478  4.63
   3      0.481  0.507  0.620     95.359  4.44
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #38 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.481  0.507  0.620     83.098  4.44   0.0      2     95.359/    95.359
   2      0.694  0.171  0.722     81.847  4.34  18.1      2     94.787/    94.787
   3      0.883  0.324  0.566     80.551  4.32  27.8      2     94.671/    94.671
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #39 of 66
   ---------------------------
   Ensemble helix_pdb Euler 114.47  38.85 151.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.694  0.621  0.088     94.905  4.98
   2      0.194  0.121  0.088     94.905  4.98

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #39 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.194  0.121  0.088     84.243  4.98   0.0      2     94.905/    94.905

   SET #2 of 8 TRIAL #40 of 66
   ---------------------------
   Ensemble helix_pdb Euler 316.81  32.12 167.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.349  0.192  0.425     95.555  4.47
   2      0.849  0.692  0.425     95.555  4.47
   3      0.668  0.067  0.948     95.470  4.45
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #40 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.849  0.692  0.425     83.609  4.47   0.0      2     95.555/    95.555
   2      0.668  0.067  0.948     78.493  4.45  25.0      2     95.470/    95.470
   3      0.800  0.235  0.430     76.162  4.35  11.9      2     94.863/    94.863

   SET #2 of 8 TRIAL #41 of 66
   ---------------------------
   Ensemble helix_pdb Euler 350.92  26.21 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.782  0.677  0.482     95.856  4.70
   2      0.282  0.177  0.482     95.856  4.70
   3      0.712  0.192  0.130     95.414  4.63
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #41 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.782  0.677  0.482     86.305  4.70   0.0      4     95.856/    95.856
   2      0.212  0.692  0.130     85.064  4.63  24.3      2     95.414/    95.414
   3      0.306  0.306  0.541     76.923  4.41  11.5      2     94.032/    94.032

   SET #2 of 8 TRIAL #42 of 66
   ---------------------------
   Ensemble helix_pdb Euler 243.79  38.08 168.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.480  0.600  0.851     93.229  4.83
   2      0.980  0.100  0.851     93.229  4.83

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #42 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.980  0.100  0.851     81.559  4.83   0.0      2     93.229/    93.229

   SET #2 of 8 TRIAL #43 of 66
   ---------------------------
   Ensemble helix_pdb Euler 170.10  30.70 141.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.358  0.047  0.842     95.655  4.52
   2      0.858  0.547  0.842     95.655  4.52
   3      0.351  0.050  0.835     95.322  4.46
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #43 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.382  0.536  0.399     79.484  4.40   0.0      4     94.929/    94.929
   2      0.304  0.622  0.722     77.806  4.31  25.8      2     94.410/    94.410
   3      0.184  0.635  0.722     74.983  4.39  34.3      2     94.870/    94.870
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #44 of 66
   ---------------------------
   Ensemble helix_pdb Euler 331.02  25.47 151.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.360  0.516  0.566     96.220  4.77
   2      0.860  0.016  0.566     96.220  4.77
   3      0.368  0.947  0.076     95.297  4.62
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #44 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.250  0.980  0.469     80.874  4.35   0.0      4     93.662/    94.991
   2      0.196  0.999  0.347     80.392  4.36   5.9      2     93.734/    93.734
   3      0.868  0.447  0.076     75.410  4.62  29.2      4     95.297/    95.297
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #45 of 66
   ---------------------------
   Ensemble helix_pdb Euler 226.10  28.67 167.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 28 sites over 67.5% of top
   28 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.247  0.093  0.663     101.07  5.30
   2      0.747  0.593  0.663     101.07  5.30
   3      0.244  0.095  0.657      99.66  5.07
   #Sites = 28: output truncated to 3 sites

   Top 28 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #45 of 66
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.247  0.093  0.663     93.014  5.30   0.0      4     101.07/    101.07
   2      0.700  0.572  0.551     85.174  4.49  20.6      4      96.20/     96.20
   3      0.898  0.608  0.423     82.055  4.51  15.8      2      96.30/     96.30
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #46 of 66
   ---------------------------
   Ensemble helix_pdb Euler  94.86  34.47 153.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 28 sites over 67.5% of top
   28 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.775  0.299  0.414     98.444  4.80
   2      0.275  0.799  0.414     98.444  4.80
   3      0.571  0.882  0.527     97.859  4.71
   #Sites = 28: output truncated to 3 sites

   Top 28 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #46 of 66
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.235  0.457  0.489     80.744  4.21   0.0      2     94.830/    94.830
   2      0.811  0.021  0.152     80.501  4.29  27.8      2     95.336/    95.336
   3      0.808  0.477  0.141     78.564  4.26  26.2      4     95.133/    95.231
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #47 of 66
   ---------------------------
   Ensemble helix_pdb Euler 286.88  23.04 169.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.791  0.485  0.581     93.314  4.90
   2      0.291  0.985  0.581     93.314  4.90

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #47 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.291  0.985  0.581     91.640  4.90   0.0      2     93.314/    93.314

   SET #2 of 8 TRIAL #48 of 66
   ---------------------------
   Ensemble helix_pdb Euler  30.36  24.91 165.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.423  0.970  0.698     94.148  4.56
   2      0.923  0.470  0.698     94.148  4.56

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #48 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.423  0.970  0.698     81.031  4.56   0.0      2     94.148/    94.148

   SET #2 of 8 TRIAL #49 of 66
   ---------------------------
   Ensemble helix_pdb Euler 322.82  28.56 160.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.790  0.117  0.446     96.048  4.61
   2      0.290  0.617  0.446     96.048  4.61
   3      0.355  0.589  0.554     94.804  4.42
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #49 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.790  0.117  0.446     78.517  4.61   0.0      2     96.048/    96.048
   2      0.862  0.089  0.563     71.276  4.37   6.0      4     94.522/    94.804
   3      0.791  0.948  0.577     70.867  4.22   9.2      2     93.580/    93.580

   SET #2 of 8 TRIAL #50 of 66
   ---------------------------
   Ensemble helix_pdb Euler 296.42  20.58 159.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #51 of 66
   ---------------------------
   Ensemble helix_pdb Euler 351.88  21.68 148.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.796  0.551  0.491     93.815  5.06
   2      0.296  0.051  0.491     93.815  5.06

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #51 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.796  0.551  0.491     93.508  5.06   0.0      2     93.815/    93.815

   SET #2 of 8 TRIAL #52 of 66
   ---------------------------
   Ensemble helix_pdb Euler 168.90  35.29 142.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.704  0.121  0.719     94.088  4.99
   2      0.204  0.621  0.719     94.088  4.99

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #52 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.704  0.121  0.719     86.854  4.99   0.0      2     94.088/    94.088

   SET #2 of 8 TRIAL #53 of 66
   ---------------------------
   Ensemble helix_pdb Euler 168.78  39.95 163.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.708  0.812  0.515     96.788  5.48
   2      0.208  0.312  0.515     96.788  5.48

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #53 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.708  0.812  0.515     91.625  5.48   0.0      2     96.788/    96.788

   SET #2 of 8 TRIAL #54 of 66
   ---------------------------
   Ensemble helix_pdb Euler  10.68  27.05 148.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.843  0.164  0.461     97.529  5.16
   2      0.343  0.664  0.461     97.529  5.16
   3      0.779  0.662  0.476     97.528  5.16
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #54 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.786  0.656  0.488     86.823  4.88   0.0      4     95.794/    97.528
   2      0.700  0.614  0.260     84.367  4.55  11.2      2     93.775/    93.775
   3      0.843  0.164  0.461     73.998  5.16  13.5      2     97.529/    97.529

   SET #2 of 8 TRIAL #55 of 66
   ---------------------------
   Ensemble helix_pdb Euler 219.01  39.25 165.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.678  0.755  0.424     93.121  4.97
   2      0.178  0.255  0.424     93.121  4.97

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #55 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.678  0.755  0.424     86.383  4.97   0.0      2     93.121/    93.121

   SET #2 of 8 TRIAL #56 of 66
   ---------------------------
   Ensemble helix_pdb Euler 246.31  25.15 174.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.743  0.448  0.565     93.682  4.96
   2      0.243  0.948  0.565     93.682  4.96

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #56 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.243  0.948  0.565     89.245  4.96   0.0      2     93.682/    93.682

   SET #2 of 8 TRIAL #57 of 66
   ---------------------------
   Ensemble helix_pdb Euler 248.33  29.35 162.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.728  0.048  0.421     96.017  4.69
   2      0.228  0.548  0.421     96.017  4.69
   3      0.325  0.556  0.649     95.879  4.66
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #57 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.276  0.139  0.420     78.030  4.54   0.0      2     95.069/    95.069
   2      0.756  0.076  0.531     74.405  4.47   5.7      4     94.628/    94.769
   3      0.276  0.590  0.533     73.532  4.60  12.9      2     95.449/    95.449
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #58 of 66
   ---------------------------
   Ensemble helix_pdb Euler 188.54  36.06 151.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.699  0.403  0.390     95.660  5.19
   2      0.199  0.903  0.390     95.660  5.19
   3      0.693  0.400  0.385     94.159  4.94
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #58 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.199  0.903  0.390     72.700  5.19   0.0      4     95.660/    95.660

   SET #2 of 8 TRIAL #59 of 66
   ---------------------------
   Ensemble helix_pdb Euler 276.54  23.49 171.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.778  0.470  0.577     97.093  5.62
   2      0.278  0.970  0.577     97.093  5.62
   3      0.782  0.470  0.584     96.851  5.58
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #59 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.282  0.970  0.584     98.812  5.58   0.0      4     96.851/    97.093
   2      0.144  0.925  0.231     86.983  4.84  17.2      2     92.453/    92.453
   3      0.645  0.882  0.228     85.002  5.01   9.4      2     93.428/    93.428

   SET #2 of 8 TRIAL #60 of 66
   ---------------------------
   Ensemble helix_pdb Euler  29.93  26.47 156.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #61 of 66
   ---------------------------
   Ensemble helix_pdb Euler 217.47  27.18 176.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.255  0.027  0.673     93.439  4.82
   2      0.755  0.527  0.673     93.439  4.82

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #61 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.755  0.527  0.673     90.655  4.82   0.0      2     93.439/    93.439

   SET #2 of 8 TRIAL #62 of 66
   ---------------------------
   Ensemble helix_pdb Euler 152.55  30.04 150.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.725  0.557  0.825     98.510  4.87
   2      0.225  0.057  0.825     98.510  4.87
   3      0.732  0.552  0.833     96.933  4.61
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #62 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.225  0.057  0.825     77.499  4.87   0.0      4     98.510/    98.510
   2      0.239  0.046  0.614     74.025  4.15  14.2      2     94.075/    94.075
   3      0.725  0.980  0.824     73.347  4.60  44.4      2     96.842/    96.842

   SET #2 of 8 TRIAL #63 of 66
   ---------------------------
   Ensemble helix_pdb Euler 242.62  48.33 196.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #64 of 66
   ---------------------------
   Ensemble helix_pdb Euler 335.56  60.15 153.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.261  0.701  0.020     103.77  6.99
   2      0.761  0.201  0.020     103.77  6.99
   3      0.258  0.704  0.015      97.75  5.91
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #64 of 66
   0% 100%
   |==| DONE

   Packing LLG Translations: pass 1 of 1...
      8 peaks
      4 peaks over 104.258 checked for packing
      Translation peak 1 first to be kept
      Done
      Exit: found a peak that packs

   New Top (ML) Translation Function LLG = 107.94 (TFZ=7.0) at Trial #64
   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.761  0.201  0.020     107.94  6.99   0.0      4     103.77/    103.77

   SET #2 of 8 TRIAL #65 of 66
   ---------------------------
   Ensemble helix_pdb Euler 302.48  34.53 174.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.352  0.244  0.407     92.788  4.90
   2      0.852  0.744  0.407     92.788  4.90

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #65 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.852  0.744  0.407     88.333  4.90   0.0      2     92.788/    92.788

   SET #2 of 8 TRIAL #66 of 66
   ---------------------------
   Ensemble helix_pdb Euler 285.32  35.80 173.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

----------------------------
TRANSLATION FUNCTION #3 OF 8
----------------------------

   SOLU SET  RFZ=4.6 TFZ=3.6 PAK=0 LLG=59
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  273.2   35.5  137.9 FRAC -0.12  0.04 -0.40 BFAC -8.74
   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   88.2 RFZ  4.17

   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   87.5 RFZ  4.09

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   86.6 RFZ  3.99

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.535   25.925  148.923 RF   86.3 RFZ  3.97

   SOLU TRIAL ENSEMBLE helix_pdb EULER   51.869   24.857  151.761 RF   86.1 RFZ  3.94

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.424   24.033  161.846 RF   85.7 RFZ  3.90

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   85.6 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   85.4 RFZ  3.86

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   85.2 RFZ  3.84

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   85.1 RFZ  3.84

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   85.0 RFZ  3.83

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   85.0 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   84.7 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   84.7 RFZ  3.79

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   84.7 RFZ  3.79

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   84.5 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   84.5 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.201   26.601  163.128 RF   84.5 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   84.4 RFZ  3.76

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   84.3 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   84.2 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   84.0 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   84.0 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   84.0 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   83.9 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   83.9 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   83.8 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   83.8 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   83.8 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   83.8 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   83.7 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   83.6 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   83.5 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   83.4 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   83.3 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   83.3 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   83.1 RFZ  3.61

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   83.0 RFZ  3.61

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   82.8 RFZ  3.59

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   82.8 RFZ  3.59

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   82.7 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   82.7 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   82.5 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   82.5 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   82.4 RFZ  3.54

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   82.3 RFZ  3.53

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   82.2 RFZ  3.52

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   82.0 RFZ  3.50

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   81.9 RFZ  3.49

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   81.9 RFZ  3.49

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   81.9 RFZ  3.49

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   81.9 RFZ  3.49

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   81.6 RFZ  3.46

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   81.5 RFZ  3.45

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   81.5 RFZ  3.44

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   81.2 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   81.2 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   81.2 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   81.1 RFZ  3.40 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   81.0 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   81.0 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   81.0 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   80.7 RFZ  3.36 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   80.7 RFZ  3.36 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   80.6 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   80.6 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   80.6 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   80.5 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   80.4 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   80.3 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   29.925   26.470  156.022 RF   80.3 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   80.3 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   80.2 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   80.1 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   80.0 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   74.017   36.083  212.756 RF   80.0 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.387   20.578  161.440 RF   80.0 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   79.9 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   79.9 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   79.8 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   79.7 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  131.617   36.655  164.234 RF   79.7 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.771   36.460  172.722 RF   79.4 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.279   27.013  139.028 RF   79.4 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.844   29.075  162.258 RF   79.4 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.619   48.334  196.267 RF   79.4 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.203   35.142  161.594 RF   79.3 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.388   40.196  156.612 RF   79.2 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   79.2 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  147.239   28.399  136.646 RF   79.2 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   79.2 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.853   49.425  194.168 RF   79.1 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.561   28.504  159.572 RF   79.0 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.732   40.369  165.315 RF   79.0 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.581   30.297  164.048 RF   79.0 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.087   47.928  196.726 RF   78.9 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.649   35.266  161.001 RF   78.9 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.262   28.939  129.773 RF   78.9 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.791   32.132  146.853 RF   78.8 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.674   29.315  136.354 RF   78.8 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   82.174   32.079  212.797 RF   78.7 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   12.483   21.810  155.358 RF   78.6 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.047   28.565  158.082 RF   78.6 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.131   39.299  209.416 RF   78.6 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   21.857   46.476  196.197 RF   78.6 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  108.160   30.031  138.942 RF   78.6 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.398   57.665  177.443 RF   78.5 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.105   29.162  138.969 RF   78.5 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   78.4 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.705   28.038  181.965 RF   78.4 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.526   31.131  133.953 RF   78.3 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   88.596   14.547  113.772 RF   78.3 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.683   28.520  158.446 RF   78.3 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.760   41.761  152.978 RF   78.3 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.791   30.761  150.363 RF   78.3 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  353.579   30.665  168.047 RF   78.2 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.182   36.981  179.693 RF   78.2 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.302   50.743  192.838 RF   78.2 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  177.081   30.634  164.104 RF   78.2 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.257   30.048  168.017 RF   78.2 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.583   40.879  160.397 RF   78.2 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.765   26.601  136.983 RF   78.1 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  214.423   56.768  173.963 RF   78.1 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.453   21.186  136.283 RF   78.1 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.303   26.896  133.601 RF   78.1 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   93.410   30.408  100.003 RF   78.0 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.862   32.433  178.320 RF   78.0 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   49.289   33.293  141.902 RF   77.9 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.474   32.698  151.429 RF   77.9 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.828   31.579  154.758 RF   77.9 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  210.850   39.450  164.662 RF   77.8 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  182.024   40.582  148.556 RF   77.8 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.560   45.317  156.800 RF   77.8 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  139.502   30.142  154.811 RF   77.8 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.078   44.065  153.168 RF   77.7 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   38.861   16.401  156.062 RF   77.7 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   43.782   37.374  212.340 RF   77.7 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.743   34.377  143.791 RF   77.6 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.278   40.307  158.593 RF   77.5 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  251.757   23.300  178.313 RF   77.5 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.306   29.978  154.977 RF   77.4 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   14.334   23.518  135.651 RF   77.4 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.296   30.768  159.195 RF   77.4 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.724   13.530   93.504 RF   77.3 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.227   45.283  158.453 RF   77.3 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.460   21.314  150.409 RF   77.2 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  233.342   30.768  159.195 RF   77.2 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.275   54.297  181.356 RF   77.1 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.350   24.444   96.617 RF   77.1 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  218.966   34.600  185.712 RF   77.0 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.110   30.878  154.447 RF   76.9 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.974   29.645  155.250 RF   76.9 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.036   32.648  147.192 RF   76.9 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.483   42.272  158.790 RF   76.8 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.463   11.731  223.636 RF   76.8 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.308   53.759  154.829 RF   76.7 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.768   30.768  159.195 RF   76.7 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  186.873   43.841  170.156 RF   76.7 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.500   39.817  171.071 RF   76.7 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.035   34.851  174.050 RF   76.6 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.299   19.821  136.813 RF   76.6 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  212.936   41.167  203.145 RF   76.6 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  216.799   39.583  208.823 RF   76.6 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   17.831   18.414  140.969 RF   76.5 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   25.214   19.891  151.386 RF   76.5 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  273.241   25.466  218.527 RF   76.5 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.664   30.768  159.195 RF   76.5 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  323.822   26.217  181.423 RF   76.4 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.414    5.368  211.612 RF   76.3 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  120.330   37.137  144.780 RF   76.3 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  306.520   14.352   74.543 RF   76.3 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.820   38.127  146.797 RF   76.3 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  109.395   40.969  157.891 RF   76.2 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.224   25.260  140.714 RF   76.2 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.762   31.367  167.872 RF   76.2 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  116.193   13.908   85.859 RF   76.1 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.138   25.215  134.276 RF   76.1 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.618   30.768  159.195 RF   76.0 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  201.232   44.691  195.382 RF   75.9 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.664   28.496  175.086 RF   75.9 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.335   58.354  154.199 RF   75.9 RFZ  2.84 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   26.727   22.173  134.486 RF   75.9 RFZ  2.84 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  187.914   33.960  177.620 RF   75.9 RFZ  2.84 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  100.219   21.636  148.565 RF   75.8 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  167.554   53.753  165.358 RF   75.7 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  278.572   30.768  159.195 RF   75.7 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   39.722   18.231  145.587 RF   75.6 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    2.250   24.787  138.003 RF   75.6 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  344.179    5.412  189.431 RF   75.5 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.170   40.468  144.627 RF   75.5 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.583   29.426  173.150 RF   75.5 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.095   20.634  108.809 RF   75.5 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.392   19.880  167.093 RF   75.5 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.749   32.036  139.851 RF   75.4 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  338.494   31.758  176.517 RF   75.4 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.893   24.939  180.164 RF   75.3 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.480   30.768  159.195 RF   75.3 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  309.155   23.841  175.706 RF   75.3 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  305.879   28.560   99.448 RF   75.3 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  270.077   26.844  178.929 RF   75.3 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.443   43.194  171.864 RF   75.3 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  167.913   39.885  143.186 RF   75.2 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  171.632   44.458  159.325 RF   75.2 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  359.138   23.339  175.345 RF   75.2 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  261.465   30.958  211.704 RF   75.1 RFZ  2.76 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  215.092   52.358  172.249 RF   75.1 RFZ  2.76 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  175.847   53.623  167.751 RF   75.1 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.021   47.206  198.816 RF   75.0 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.724    9.032  130.621 RF   75.0 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.059   39.286  172.292 RF   75.0 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.592   42.873  152.005 RF   75.0 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  235.281   18.530  222.803 RF   75.0 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   35.719   33.639  180.082 RF   75.0 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.876   44.557  156.213 RF   75.0 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  245.347   32.164  155.672 RF   74.9 RFZ  2.73 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  200.885   37.243  147.962 RF   74.9 RFZ  2.73 # DEEP

   This TF set has 216 trial orientations

   #    Euler                  Rot-LLG      RF     RFZ  Ensemble
   1     260.3   25.9  169.4      89.1    88.2     4.2 helix_pdb
   2      61.8   25.2  150.8      88.7    87.5     4.1 helix_pdb
   3     154.7   35.4  158.0      86.6    86.6     4.0 helix_pdb
   4      81.5   25.9  148.9      87.4    86.3     4.0 helix_pdb
   5      51.9   24.9  151.8      88.3    86.1     3.9 helix_pdb
   6     330.4   24.0  161.8      86.5    85.7     3.9 helix_pdb
   7     105.0   25.8  143.1      85.5    85.6     3.9 helix_pdb
   8     254.3   27.7  166.2      86.8    85.4     3.9 helix_pdb
   9     119.8   27.8  146.6      86.5    85.2     3.8 helix_pdb
   10    311.9   26.5  162.4      87.0    85.1     3.8 helix_pdb
   11     95.2   25.2  143.9      85.6    85.0     3.8 helix_pdb
   12    144.5   34.2  148.9      87.7    85.0     3.8 helix_pdb
   13     65.1   29.9  146.5      86.9    84.7     3.8 helix_pdb
   14    114.5   26.4  142.5      85.1    84.7     3.8 helix_pdb
   15     68.5   27.2  153.3      85.5    84.7     3.8 helix_pdb
   16    266.4   24.0  172.4      84.7    84.5     3.8 helix_pdb
   17    130.9   39.3  153.8      85.5    84.5     3.8 helix_pdb
   18    302.2   26.6  163.1      86.6    84.5     3.8 helix_pdb
   19    138.4   28.8  146.0      86.5    84.4     3.8 helix_pdb
   20     66.9   34.6  143.2      86.4    84.3     3.7 helix_pdb
   21    136.3   40.2  158.3      84.7    84.2     3.7 helix_pdb
   22    240.9   26.8  170.8      85.8    84.0     3.7 helix_pdb
   23    332.6   27.0  170.3      85.4    84.0     3.7 helix_pdb
   24    281.6   33.4  166.5      84.8    84.0     3.7 helix_pdb
   25    231.2   27.3  171.5      85.0    83.9     3.7 helix_pdb
   26     98.1   38.3  149.4      85.5    83.9     3.7 helix_pdb
   27    161.0   30.0  141.4      84.2    83.8     3.7 helix_pdb
   28     41.8   24.6  152.9      86.1    83.8     3.7 helix_pdb
   29    170.1   30.7  141.5      83.9    83.8     3.7 helix_pdb
   30    290.4   33.1  166.7      84.7    83.8     3.7 helix_pdb
   31    133.6   27.8  141.5      84.4    83.7     3.7 helix_pdb
   32     89.7   37.8  148.5      85.1    83.6     3.7 helix_pdb
   33    114.5   38.8  151.6      84.0    83.5     3.7 helix_pdb
   34    238.5   34.6  163.9      83.9    83.4     3.6 helix_pdb
   35    125.0   29.0  150.7      85.2    83.3     3.6 helix_pdb
   36     56.3   20.6  156.8      84.8    83.3     3.6 helix_pdb
   37    331.0   25.5  151.2      83.5    83.1     3.6 helix_pdb
   38      1.1   24.0  157.9      83.8    83.0     3.6 helix_pdb
   39     72.9   36.8  146.8      85.1    82.8     3.6 helix_pdb
   40    243.8   38.1  168.7      83.6    82.8     3.6 helix_pdb
   41    226.1   28.7  167.3      83.2    82.7     3.6 helix_pdb
   42    179.4   35.7  151.0      85.0    82.7     3.6 helix_pdb
   43    217.5   27.2  176.3      81.7    82.5     3.6 helix_pdb
   44     10.7   27.0  148.4      82.3    82.5     3.5 helix_pdb
   45    350.9   26.2  159.2      83.6    82.4     3.5 helix_pdb
   46    351.9   21.7  148.5      82.6    82.3     3.5 helix_pdb
   47    276.5   23.5  171.3      82.2    82.2     3.5 helix_pdb
   48    286.9   23.0  169.8      82.9    82.0     3.5 helix_pdb
   49    316.8   32.1  167.6      83.8    81.9     3.5 helix_pdb
   50     30.4   24.9  165.3      82.6    81.9     3.5 helix_pdb
   51    168.9   35.3  142.5      82.5    81.9     3.5 helix_pdb
   52     86.2   34.2  153.4      84.1    81.9     3.5 helix_pdb
   53    296.4   20.6  159.3      82.8    81.6     3.5 helix_pdb
   54    246.3   25.1  174.6      82.3    81.5     3.5 helix_pdb
   55    335.6   60.2  153.7      82.2    81.5     3.4 helix_pdb
   ----- angles below here for deep search only -----
   56    165.5   35.6  167.6      81.3    81.2     3.4 helix_pdb
   57    174.8   35.2  168.2      81.2    81.2     3.4 helix_pdb
   58    322.8   28.6  160.3      82.3    81.2     3.4 helix_pdb
   59    302.5   34.5  174.6      81.7    81.1     3.4 helix_pdb
   60    155.4   40.0  157.0      80.4    81.0     3.4 helix_pdb
   61    168.8   39.9  163.1      82.4    81.0     3.4 helix_pdb
   62    219.0   39.2  165.8      82.3    81.0     3.4 helix_pdb
   63    207.9   27.9  176.7      80.0    80.7     3.4 helix_pdb
   64     27.1   27.8  147.5      81.1    80.7     3.4 helix_pdb
   65    285.3   35.8  173.3      81.6    80.6     3.4 helix_pdb
   66    248.3   29.3  162.7      81.8    80.6     3.4 helix_pdb
   67     94.9   34.5  153.8      83.0    80.6     3.3 helix_pdb
   68    188.5   36.1  151.9      82.1    80.5     3.3 helix_pdb
   69     10.9   21.0  165.8      80.6    80.4     3.3 helix_pdb
   70    260.3   37.3  170.7      80.2    80.3     3.3 helix_pdb
   71     29.9   26.5  156.0      81.1    80.3     3.3 helix_pdb
   72    352.1   21.6  169.2      80.1    80.3     3.3 helix_pdb
   73    163.6   40.0  158.2      80.5    80.2     3.3 helix_pdb
   74    248.5   40.7  162.8      81.0    80.1     3.3 helix_pdb
   75    221.3   35.0  162.8      80.8    80.0     3.3 helix_pdb
   76     74.0   36.1  212.8      80.9    80.0     3.3 helix_pdb
   77    285.4   20.6  161.4      78.9    80.0     3.3 helix_pdb
   78    152.6   30.0  150.4      81.3    79.9     3.3 helix_pdb
   79    232.6   37.5  171.1      81.3    79.9     3.3 helix_pdb
   80     60.8   26.6  129.6      80.3    79.8     3.3 helix_pdb
   81     42.6   32.8  151.2      81.3    79.7     3.3 helix_pdb
   82    131.6   36.7  164.2      80.7    79.7     3.2 helix_pdb
   83    276.8   36.5  172.7      79.9    79.4     3.2 helix_pdb
   84     31.3   27.0  139.0      79.6    79.4     3.2 helix_pdb
   85    266.8   29.1  162.3      79.9    79.4     3.2 helix_pdb
   86    242.6   48.3  196.3      81.9    79.4     3.2 helix_pdb
   87    204.2   35.1  161.6      80.8    79.3     3.2 helix_pdb
   88    183.4   40.2  156.6      79.3    79.2     3.2 helix_pdb
   89     35.0   58.5  174.9      80.0    79.2     3.2 helix_pdb
   90    147.2   28.4  136.6      79.4    79.2     3.2 helix_pdb
   91    224.3   30.8  179.4      78.7    79.2     3.2 helix_pdb
   92     55.9   49.4  194.2      81.3    79.1     3.2 helix_pdb
   93    341.6   28.5  159.6      79.3    79.0     3.2 helix_pdb
   94    264.7   40.4  165.3      79.6    79.0     3.2 helix_pdb
   95    192.6   30.3  164.0      78.5    79.0     3.2 helix_pdb
   96     63.1   47.9  196.7      81.3    78.9     3.2 helix_pdb
   97    195.6   35.3  161.0      79.5    78.9     3.2 helix_pdb
   98     79.3   28.9  129.8      79.1    78.9     3.2 helix_pdb
   99    194.8   32.1  146.9      79.2    78.8     3.2 helix_pdb
   100   156.7   29.3  136.4      78.5    78.8     3.2 helix_pdb
   101    82.2   32.1  212.8      80.3    78.7     3.1 helix_pdb
   102    12.5   21.8  155.4      78.8    78.6     3.1 helix_pdb
   103    19.0   28.6  158.1      78.8    78.6     3.1 helix_pdb
   104    37.1   39.3  209.4      78.6    78.6     3.1 helix_pdb
   105    21.9   46.5  196.2      79.7    78.6     3.1 helix_pdb
   106   108.2   30.0  138.9      78.5    78.6     3.1 helix_pdb
   107    42.4   57.7  177.4      79.7    78.5     3.1 helix_pdb
   108    99.1   29.2  139.0      78.5    78.5     3.1 helix_pdb
   109   207.4   29.4  167.8      78.6    78.4     3.1 helix_pdb
   110   304.7   28.0  182.0      77.8    78.4     3.1 helix_pdb
   111    84.5   31.1  134.0      78.1    78.3     3.1 helix_pdb
   112    88.6   14.5  113.8      79.4    78.3     3.1 helix_pdb
   113     9.7   28.5  158.4      78.8    78.3     3.1 helix_pdb
   114   209.8   41.8  153.0      78.4    78.3     3.1 helix_pdb
   115   170.8   30.8  150.4      79.6    78.3     3.1 helix_pdb
   116   353.6   30.7  168.0      78.7    78.2     3.1 helix_pdb
   117   206.2   37.0  179.7      78.3    78.2     3.1 helix_pdb
   118   194.3   50.7  192.8      79.7    78.2     3.1 helix_pdb
   119   177.1   30.6  164.1      77.7    78.2     3.1 helix_pdb
   120     9.3   30.0  168.0      78.3    78.2     3.1 helix_pdb
   121   125.6   40.9  160.4      78.3    78.2     3.1 helix_pdb
   122   128.8   26.6  137.0      78.1    78.1     3.1 helix_pdb
   123   214.4   56.8  174.0      78.7    78.1     3.1 helix_pdb
   124    84.5   21.2  136.3      79.8    78.1     3.1 helix_pdb
   125    47.3   26.9  133.6      78.7    78.1     3.1 helix_pdb
   126    93.4   30.4  100.0      79.7    78.0     3.1 helix_pdb
   127   206.9   32.4  178.3      77.8    78.0     3.1 helix_pdb
   128    49.3   33.3  141.9      79.2    77.9     3.1 helix_pdb
   129   221.5   32.7  151.4      78.1    77.9     3.1 helix_pdb
   130   209.8   31.6  154.8      77.3    77.9     3.1 helix_pdb
   131   210.9   39.5  164.7      78.6    77.8     3.1 helix_pdb
   132   182.0   40.6  148.6      77.5    77.8     3.0 helix_pdb
   133   197.6   45.3  156.8      79.1    77.8     3.0 helix_pdb
   134   139.5   30.1  154.8      79.3    77.8     3.0 helix_pdb
   135   140.1   44.1  153.2      79.8    77.7     3.0 helix_pdb
   136    38.9   16.4  156.1      79.9    77.7     3.0 helix_pdb
   137    43.8   37.4  212.3      77.4    77.7     3.0 helix_pdb
   138    37.7   34.4  143.8      79.2    77.6     3.0 helix_pdb
   139   197.3   40.3  158.6      78.0    77.5     3.0 helix_pdb
   140   251.8   23.3  178.3      77.2    77.5     3.0 helix_pdb
   141   130.3   30.0  155.0      78.8    77.4     3.0 helix_pdb
   142    14.3   23.5  135.7      78.3    77.4     3.0 helix_pdb
   143   224.3   30.8  159.2      77.1    77.4     3.0 helix_pdb
   144   287.7   13.5   93.5      77.2    77.3     3.0 helix_pdb
   145   206.2   45.3  158.5      79.6    77.3     3.0 helix_pdb
   146    89.5   21.3  150.4      77.6    77.2     3.0 helix_pdb
   147   233.3   30.8  159.2      76.7    77.2     3.0 helix_pdb
   148   227.3   54.3  181.4      79.5    77.1     3.0 helix_pdb
   149   300.4   24.4   96.6      79.4    77.1     3.0 helix_pdb
   150   219.0   34.6  185.7      77.2    77.0     3.0 helix_pdb
   151   176.1   30.9  154.4      78.2    76.9     2.9 helix_pdb
   152   112.0   29.6  155.3      78.1    76.9     2.9 helix_pdb
   153   204.0   32.6  147.2      77.1    76.9     2.9 helix_pdb
   154   242.5   42.3  158.8      76.4    76.8     2.9 helix_pdb
   155    72.5   11.7  223.6      78.0    76.8     2.9 helix_pdb
   156   156.3   53.8  154.8      78.5    76.7     2.9 helix_pdb
   157   153.8   30.8  159.2      77.5    76.7     2.9 helix_pdb
   158   186.9   43.8  170.2      77.4    76.7     2.9 helix_pdb
   159   174.5   39.8  171.1      78.1    76.7     2.9 helix_pdb
   160   179.0   34.9  174.0      77.2    76.6     2.9 helix_pdb
   161    37.3   19.8  136.8      75.2    76.6     2.9 helix_pdb
   162   212.9   41.2  203.1      77.7    76.6     2.9 helix_pdb
   163   216.8   39.6  208.8      77.2    76.6     2.9 helix_pdb
   164    17.8   18.4  141.0      76.7    76.5     2.9 helix_pdb
   165    25.2   19.9  151.4      77.3    76.5     2.9 helix_pdb
   166   273.2   25.5  218.5      77.7    76.5     2.9 helix_pdb
   167   296.7   30.8  159.2      75.3    76.5     2.9 helix_pdb
   168   323.8   26.2  181.4      76.6    76.4     2.9 helix_pdb
   169   101.4    5.4  211.6      77.4    76.3     2.9 helix_pdb
   170   120.3   37.1  144.8      76.4    76.3     2.9 helix_pdb
   171   306.5   14.4   74.5      76.6    76.3     2.9 helix_pdb
   172   136.8   38.1  146.8      77.5    76.3     2.9 helix_pdb
   173   109.4   41.0  157.9      76.0    76.2     2.9 helix_pdb
   174    52.2   25.3  140.7      76.7    76.2     2.9 helix_pdb
   175   155.8   31.4  167.9      76.4    76.2     2.9 helix_pdb
   176   116.2   13.9   85.9      77.4    76.1     2.9 helix_pdb
   177    31.1   25.2  134.3      78.2    76.1     2.9 helix_pdb
   178   287.6   30.8  159.2      74.5    76.0     2.9 helix_pdb
   179   201.2   44.7  195.4      78.4    75.9     2.8 helix_pdb
   180   350.7   28.5  175.1      76.8    75.9     2.8 helix_pdb
   181   156.3   58.4  154.2      77.2    75.9     2.8 helix_pdb
   182    26.7   22.2  134.5      77.1    75.9     2.8 helix_pdb
   183   187.9   34.0  177.6      76.7    75.9     2.8 helix_pdb
   184   100.2   21.6  148.6      75.6    75.8     2.8 helix_pdb
   185   167.6   53.8  165.4      76.5    75.7     2.8 helix_pdb
   186   278.6   30.8  159.2      74.6    75.7     2.8 helix_pdb
   187    39.7   18.2  145.6      75.8    75.6     2.8 helix_pdb
   188     2.3   24.8  138.0      76.2    75.6     2.8 helix_pdb
   189   344.2    5.4  189.4      76.5    75.5     2.8 helix_pdb
   190   176.2   40.5  144.6      74.9    75.5     2.8 helix_pdb
   191   192.6   29.4  173.2      76.6    75.5     2.8 helix_pdb
   192   101.1   20.6  108.8      75.8    75.5     2.8 helix_pdb
   193   316.4   19.9  167.1      76.4    75.5     2.8 helix_pdb
   194   239.7   32.0  139.9      76.2    75.4     2.8 helix_pdb
   195   338.5   31.8  176.5      75.1    75.4     2.8 helix_pdb
   196   231.9   24.9  180.2      75.4    75.3     2.8 helix_pdb
   197   260.5   30.8  159.2      75.1    75.3     2.8 helix_pdb
   198   309.2   23.8  175.7      74.4    75.3     2.8 helix_pdb
   199   305.9   28.6   99.4      77.6    75.3     2.8 helix_pdb
   200   270.1   26.8  178.9      75.5    75.3     2.8 helix_pdb
   201   195.4   43.2  171.9      75.2    75.3     2.8 helix_pdb
   202   167.9   39.9  143.2      74.9    75.2     2.8 helix_pdb
   203   171.6   44.5  159.3      75.5    75.2     2.8 helix_pdb
   204   359.1   23.3  175.3      75.3    75.2     2.8 helix_pdb
   205   261.5   31.0  211.7      78.1    75.1     2.8 helix_pdb
   206   215.1   52.4  172.2      76.1    75.1     2.8 helix_pdb
   207   175.8   53.6  167.8      76.4    75.1     2.8 helix_pdb
   208    30.0   47.2  198.8      76.0    75.0     2.7 helix_pdb
   209    63.7    9.0  130.6      77.6    75.0     2.7 helix_pdb
   210   183.1   39.3  172.3      75.2    75.0     2.7 helix_pdb
   211   219.6   42.9  152.0      75.7    75.0     2.7 helix_pdb
   212   235.3   18.5  222.8      76.5    75.0     2.7 helix_pdb
   213    35.7   33.6  180.1      71.7    75.0     2.7 helix_pdb
   214   155.9   44.6  156.2      76.6    75.0     2.7 helix_pdb
   215   245.3   32.2  155.7      74.4    74.9     2.7 helix_pdb
   216   200.9   37.2  148.0      75.5    74.9     2.7 helix_pdb
      55 trial orientations in initial search
      161 trial orientations in deep search

   Scoring 648 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #3 of 8
   0%         100%
   |===========| DONE

   Mean Score (Sigma):       34.86   ( 9.83)

   SET #3 of 8 TRIAL #1 of 55
   --------------------------
   Ensemble helix_pdb Euler 260.25  25.95 169.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 84 sites over 67.5% of top
   84 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.360  0.402  0.162     101.47  4.74
   2      0.860  0.902  0.162     101.47  4.74
   3      0.579  0.259  0.433     101.20  4.70
   #Sites = 84: output truncated to 3 sites

   Top 84 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #1 of 55
   0%   100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 29 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.563  0.875  0.839     88.701  4.47   0.0      4     99.834/    99.834
   2      0.815  0.763  0.738     86.465  4.36  28.0      2     99.163/    99.163
   3      0.969  0.259  0.145     84.974  3.92  30.4      2     96.490/    96.490
   #SITES = 29: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #2 of 55
   --------------------------
   Ensemble helix_pdb Euler  61.81  25.19 150.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 86 sites over 67.5% of top
   86 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.720  0.331  0.536     103.81  5.19
   2      0.220  0.831  0.536     103.81  5.19
   3      0.590  0.409  0.980     101.94  4.88
   #Sites = 86: output truncated to 3 sites

   Top 86 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #2 of 55
   0%   100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 24 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.720  0.331  0.536     88.830  5.19   0.0      4     103.81/    103.81
   2      0.557  0.754  0.211     87.864  4.32  18.8      4      98.58/     99.23
   3      0.130  0.778  0.092     86.272  4.40  21.0      4      99.01/     99.01
   #SITES = 24: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #3 of 55
   --------------------------
   Ensemble helix_pdb Euler 154.74  35.36 158.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 60 sites over 67.5% of top
   60 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.546  0.297  0.325     100.83  4.75
   2      0.046  0.797  0.325     100.83  4.75
   3      0.447  0.213  0.877     100.52  4.70
   #Sites = 60: output truncated to 3 sites

   Top 60 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #3 of 55
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 20 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.552  0.301  0.333     86.901  4.65   0.0      4     100.18/    100.83
   2      0.947  0.713  0.877     83.413  4.70  31.5      2     100.52/    100.52
   3      0.012  0.807  0.329     82.457  3.84  33.2      4      95.34/     95.70
   #SITES = 20: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #4 of 55
   --------------------------
   Ensemble helix_pdb Euler  81.53  25.92 148.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 58 sites over 67.5% of top
   58 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.596  0.183  0.043     98.836  4.58
   2      0.096  0.683  0.043     98.836  4.58
   3      0.657  0.883  0.429     98.429  4.51
   #Sites = 58: output truncated to 3 sites

   Top 58 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #4 of 55
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 20 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.110  0.432  0.767     87.083  4.40   0.0      2     97.773/    97.773
   2      0.992  0.928  0.546     84.176  4.00  16.1      4     95.313/    95.313
   3      0.609  0.415  0.767     81.764  3.96  46.0      2     95.074/    95.074
   #SITES = 20: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #5 of 55
   --------------------------
   Ensemble helix_pdb Euler  51.87  24.86 151.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 40 sites over 67.5% of top
   40 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.695  0.855  0.206     98.947  4.74
   2      0.195  0.355  0.206     98.947  4.74
   3      0.432  0.796  0.424     98.102  4.60
   #Sites = 40: output truncated to 3 sites

   Top 40 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #5 of 55
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 15 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.932  0.296  0.424     84.370  4.60   0.0      2     98.102/    98.102
   2      0.058  0.218  0.202     83.333  4.08  23.2      2     94.979/    94.979
   3      0.626  0.818  0.315     81.802  4.04  26.9      2     94.777/    94.777
   #SITES = 15: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #6 of 55
   --------------------------
   Ensemble helix_pdb Euler 330.42  24.03 161.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 26 sites over 67.5% of top
   26 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.584  0.453  0.734     99.083  4.93
   2      0.084  0.953  0.734     99.083  4.93
   3      0.825  0.342  0.591     98.521  4.83
   #Sites = 26: output truncated to 3 sites

   Top 26 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #6 of 55
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 12 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.825  0.342  0.591     83.334  4.83   0.0      2     98.521/    98.521
   2      0.583  0.351  0.962     82.339  4.48  30.7      2     96.409/    96.409
   3      0.325  0.164  0.092     81.041  4.61  31.3      2     97.191/    97.191
   #SITES = 12: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #7 of 55
   --------------------------
   Ensemble helix_pdb Euler 105.00  25.77 143.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 32 sites over 67.5% of top
   32 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.608  0.390  0.107     103.02  5.53
   2      0.108  0.890  0.107     103.02  5.53
   3      0.609  0.939  0.106     102.49  5.44
   #Sites = 32: output truncated to 3 sites

   Top 32 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #7 of 55
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.981  0.998  0.555     89.211  4.79   0.0      4     98.600/    98.600
   2      0.608  0.390  0.107     87.824  5.53  28.6      2    103.023/   103.023
   3      0.441  0.545  0.468     83.367  4.13  39.5      2     94.671/    94.671
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #8 of 55
   --------------------------
   Ensemble helix_pdb Euler 254.25  27.73 166.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 82 sites over 67.5% of top
   82 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.532  0.974  0.037     101.39  4.93
   2      0.032  0.474  0.037     101.39  4.93
   3      0.530  0.849  0.038     100.71  4.82
   #Sites = 82: output truncated to 3 sites

   Top 82 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #8 of 55
   0%   100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 31 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.945  0.294  0.137     81.204  4.03   0.0      2     95.866/    95.866
   2      0.296  0.305  0.734     79.405  4.02  28.2      2     95.798/    95.798
   3      0.590  0.899  0.147     78.984  4.43  34.4      2     98.339/    98.339
   #SITES = 31: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #9 of 55
   --------------------------
   Ensemble helix_pdb Euler 119.80  27.80 146.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 24 sites over 67.5% of top
   24 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.782  0.519  0.000     99.896  4.79
   2      0.282  0.019  0.000     99.896  4.79
   3      0.574  0.905  0.776     98.462  4.55
   #Sites = 24: output truncated to 3 sites

   Top 24 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #9 of 55
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.074  0.405  0.776     87.954  4.55   0.0      4     98.462/    98.462
   2      0.282  0.019  0.000     84.751  4.79  17.4      2     99.896/    99.896
   3      0.120  0.972  0.432     84.574  4.03  17.2      2     95.353/    95.353
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #10 of 55
   ---------------------------
   Ensemble helix_pdb Euler 311.90  26.45 162.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 60 sites over 67.5% of top
   60 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.559  0.463  0.944     100.59  4.87
   2      0.059  0.963  0.944     100.59  4.87
   3      0.638  0.417  0.384     100.10  4.79
   #Sites = 60: output truncated to 3 sites

   Top 60 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #10 of 55
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 21 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.681  0.448  0.493     82.217  4.46   0.0      2     98.074/    98.074
   2      0.135  0.918  0.380     81.296  4.14  17.4      4     96.118/   100.098
   3      0.559  0.463  0.944     81.211  4.87  21.6      2    100.586/   100.586
   #SITES = 21: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #11 of 55
   ---------------------------
   Ensemble helix_pdb Euler  95.22  25.15 143.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 28 sites over 67.5% of top
   28 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.619  0.377  0.107     101.18  5.27
   2      0.119  0.877  0.107     101.18  5.27
   3      0.621  0.916  0.106      99.01  4.90
   #Sites = 28: output truncated to 3 sites

   Top 28 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #11 of 55
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.619  0.377  0.107     86.482  5.27   0.0      2     101.18/    101.18
   2      0.993  0.978  0.554     86.433  4.55  28.7      4      96.92/     96.92
   3      0.110  0.477  0.774     82.546  4.20  21.1      2      94.83/     94.83
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #12 of 55
   ---------------------------
   Ensemble helix_pdb Euler 144.54  34.20 148.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 42 sites over 67.5% of top
   42 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.717  0.442  0.877     99.560  4.81
   2      0.217  0.942  0.877     99.560  4.81
   3      0.487  0.151  0.930     99.226  4.76
   #Sites = 42: output truncated to 3 sites

   Top 42 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #12 of 55
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 19 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.501  0.827  0.653     82.698  4.21   0.0      2     95.877/    95.877
   2      0.534  0.173  0.050     82.459  4.37  22.6      2     96.846/    96.846
   3      0.217  0.942  0.877     82.263  4.81  37.1      2     99.560/    99.560
   #SITES = 19: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #13 of 55
   ---------------------------
   Ensemble helix_pdb Euler  65.08  29.91 146.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.346  0.776  0.975     98.713  4.90
   2      0.846  0.276  0.975     98.713  4.90
   3      0.600  0.190  0.307     96.121  4.46
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #13 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.904  0.772  0.866     81.714  4.19   0.0      2     94.516/    94.516
   2      0.600  0.190  0.307     81.434  4.46  29.3      2     96.121/    96.121
   3      0.575  0.725  0.639     81.093  4.41  23.8      2     95.823/    95.823
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #14 of 55
   ---------------------------
   Ensemble helix_pdb Euler 114.54  26.45 142.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 20 sites over 67.5% of top
   20 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.597  0.539  0.108     101.83  5.42
   2      0.097  0.039  0.108     101.83  5.42
   3      0.597  0.953  0.106      99.88  5.09
   #Sites = 20: output truncated to 3 sites

   Top 20 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #14 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.472  0.509  0.558     87.402  4.41   0.0      2     95.810/    95.810
   2      0.597  0.539  0.108     84.408  5.42  25.8      4    101.833/   101.833
   3      0.595  0.399  0.108     82.335  4.87  25.8      2     98.570/    98.570
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #15 of 55
   ---------------------------
   Ensemble helix_pdb Euler  68.53  27.20 153.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 68 sites over 67.5% of top
   68 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.657  0.837  0.418     102.51  5.18
   2      0.157  0.337  0.418     102.51  5.18
   3      0.629  0.806  0.092     100.00  4.77
   #Sites = 68: output truncated to 3 sites

   Top 68 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #15 of 55
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 19 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.037  0.258  0.205     87.034  4.65   0.0      4     99.273/    99.273
   2      0.657  0.837  0.418     86.075  5.18  24.5      2    102.515/   102.515
   3      0.629  0.806  0.092     85.703  4.77  35.2      4    100.005/   100.005
   #SITES = 19: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #16 of 55
   ---------------------------
   Ensemble helix_pdb Euler 266.43  24.03 172.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.366  0.334  0.393     96.312  4.75
   2      0.866  0.834  0.393     96.312  4.75
   3      0.611  0.814  0.164     96.054  4.70
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #16 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.607  0.092  0.113     80.711  4.41   0.0      2     94.345/    94.345
   2      0.366  0.334  0.393     80.543  4.75  30.4      2     96.312/    96.312
   3      0.380  0.383  0.169     80.187  4.44  19.9      2     94.508/    94.508
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #17 of 55
   ---------------------------
   Ensemble helix_pdb Euler 130.85  39.28 153.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.497  0.821  0.869     96.856  5.00
   2      0.997  0.321  0.869     96.856  5.00
   3      0.497  0.367  0.868     95.938  4.85
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #17 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.997  0.321  0.869     82.309  5.00   0.0      2     96.856/    96.856
   2      0.997  0.181  0.868     81.958  4.73   3.3      2     95.273/    95.273
   3      0.201  0.373  0.643     81.723  4.69  25.0      2     95.042/    95.042
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #18 of 55
   ---------------------------
   Ensemble helix_pdb Euler 302.20  26.60 163.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 44 sites over 67.5% of top
   44 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.546  0.437  0.938     99.989  4.90
   2      0.046  0.937  0.938     99.989  4.90
   3      0.552  0.960  0.276     99.153  4.77
   #Sites = 44: output truncated to 3 sites

   Top 44 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #18 of 55
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 16 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.577  0.185  0.993     81.853  4.31   0.0      2     96.322/    96.322
   2      0.173  0.920  0.494     79.592  4.21  30.1      4     95.732/    96.729
   3      0.672  0.921  0.492     79.525  4.21  24.6      4     95.746/    95.746
   #SITES = 16: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #19 of 55
   ---------------------------
   Ensemble helix_pdb Euler 138.41  28.85 146.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.760  0.509  0.005     99.232  4.83
   2      0.260  0.009  0.005     99.232  4.83
   3      0.385  0.516  0.453     95.947  4.28
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #19 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.760  0.509  0.005     82.463  4.83   0.0      4     99.232/    99.232
   2      0.885  0.016  0.453     81.152  4.28  25.6      4     95.947/    95.947
   3      0.758  0.101  0.222     81.030  4.22  16.9      2     95.601/    95.601
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #20 of 55
   ---------------------------
   Ensemble helix_pdb Euler  66.88  34.65 143.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.841  0.214  0.968     99.334  5.17
   2      0.341  0.714  0.968     99.334  5.17
   3      0.676  0.716  0.868     98.970  5.11
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #20 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.176  0.216  0.868     89.840  5.11   0.0      2     98.970/    98.970
   2      0.841  0.214  0.968     88.407  5.17  35.4      2     99.334/    99.334
   3      0.970  0.623  0.424     83.159  4.46  17.2      2     95.198/    95.198
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #21 of 55
   ---------------------------
   Ensemble helix_pdb Euler 136.29  40.23 158.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.473  0.173  0.868     97.925  5.08
   2      0.973  0.673  0.868     97.925  5.08
   3      0.425  0.160  0.751     96.206  4.79
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #21 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.609  0.752  0.422     88.690  4.69   0.0      2     95.632/    95.632
   2      0.925  0.660  0.751     84.231  4.79  22.4      2     96.206/    96.206
   3      0.973  0.673  0.868     84.203  5.08  26.5      2     97.925/    97.925
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #22 of 55
   ---------------------------
   Ensemble helix_pdb Euler 240.92  26.84 170.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.536  0.825  0.372     97.656  4.82
   2      0.036  0.325  0.372     97.656  4.82
   3      0.555  0.940  0.932     96.070  4.55
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #22 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.157  0.890  0.591     82.820  4.53   0.0      4     95.916/    95.916
   2      0.055  0.440  0.932     79.969  4.55  27.6      2     96.070/    96.070
   3      0.536  0.825  0.372     79.032  4.82  26.9      2     97.656/    97.656
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #23 of 55
   ---------------------------
   Ensemble helix_pdb Euler 332.57  27.01 170.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.672  0.533  0.851     95.272  4.63
   2      0.172  0.033  0.851     95.272  4.63

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #23 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.172  0.033  0.851     85.884  4.63   0.0      2     95.272/    95.272

   SET #3 of 8 TRIAL #24 of 55
   ---------------------------
   Ensemble helix_pdb Euler 281.57  33.45 166.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.554  0.027  0.034     96.637  4.57
   2      0.054  0.527  0.034     96.637  4.57
   3      0.433  0.988  0.482     96.551  4.56
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #24 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.933  0.488  0.482     84.903  4.56   0.0      2     96.551/    96.551
   2      0.975  0.515  0.594     83.125  4.50   5.5      2     96.173/    96.173
   3      0.095  0.473  0.358     82.858  4.32  12.0      2     95.086/    95.086
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #25 of 55
   ---------------------------
   Ensemble helix_pdb Euler 231.17  27.28 171.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.564  0.873  0.148     98.809  4.91
   2      0.064  0.373  0.148     98.809  4.91
   3      0.469  0.342  0.593     97.547  4.69
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #25 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.962  0.837  0.584     84.164  4.54   0.0      4     96.665/    97.547
   2      0.644  0.402  0.584     81.668  4.44  31.2      2     96.122/    96.122
   3      0.564  0.873  0.148     81.152  4.91  28.4      2     98.809/    98.809
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #26 of 55
   ---------------------------
   Ensemble helix_pdb Euler  98.11  38.34 149.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.530  0.191  0.193     96.308  4.83
   2      0.030  0.691  0.193     96.308  4.83
   3      0.789  0.319  0.414     95.652  4.72
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #26 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.030  0.691  0.193     83.389  4.83   0.0      2     96.308/    96.308
   2      0.685  0.805  0.524     78.579  4.46  20.3      2     94.171/    94.171
   3      0.289  0.819  0.414     76.219  4.72  18.6      2     95.652/    95.652

   SET #3 of 8 TRIAL #27 of 55
   ---------------------------
   Ensemble helix_pdb Euler 160.97  29.98 141.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.369  0.931  0.019     96.677  4.57
   2      0.869  0.431  0.019     96.677  4.57
   3      0.293  0.985  0.123     95.585  4.38
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #27 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.869  0.431  0.019     86.357  4.57   0.0      2     96.677/    96.677
   2      0.923  0.982  0.577     85.706  4.34  33.3      2     95.362/    95.362
   3      0.705  0.895  0.621     83.364  4.24  22.3      2     94.787/    94.787
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #28 of 55
   ---------------------------
   Ensemble helix_pdb Euler  41.80  24.60 152.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 22 sites over 67.5% of top
   22 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.400  0.718  0.590     96.380  4.84
   2      0.900  0.218  0.590     96.380  4.84
   3      0.630  0.779  0.315     95.339  4.67
   #Sites = 22: output truncated to 3 sites

   Top 22 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #28 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.630  0.779  0.315     83.839  4.67   0.0      2     95.339/    95.339
   2      0.708  0.259  0.977     79.931  4.64  26.5      4     95.164/    95.318
   3      0.827  0.598  0.381     79.270  4.51  16.4      2     94.421/    94.421
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #29 of 55
   ---------------------------
   Ensemble helix_pdb Euler 170.10  30.70 141.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.398  0.452  0.119     96.476  4.48
   2      0.898  0.952  0.119     96.476  4.48
   3      0.693  0.864  0.622     96.475  4.48
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #29 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.505  0.404  0.801     86.075  4.26   0.0      2     95.191/    95.191
   2      0.912  0.965  0.576     85.934  4.35  31.2      2     95.679/    95.679
   3      0.288  0.566  0.347     85.045  4.25  22.4      2     95.135/    95.135
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #30 of 55
   ---------------------------
   Ensemble helix_pdb Euler 290.39  33.10 166.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.443  0.999  0.487     96.192  4.48
   2      0.943  0.499  0.487     96.192  4.48
   3      0.552  0.092  0.483     95.990  4.44
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #30 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.443  0.996  0.486     81.865  4.32   0.0      4     95.248/    96.192
   2      0.986  0.283  0.864     76.408  4.28  31.2      4     94.986/    94.986
   3      0.563  0.030  0.036     75.119  4.28  29.0      2     95.019/    95.019
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #31 of 55
   ---------------------------
   Ensemble helix_pdb Euler 133.57  27.81 141.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.780  0.553  0.009     95.020  4.61
   2      0.280  0.053  0.009     95.020  4.61
   3      0.497  0.487  0.682     94.433  4.51
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #31 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.905  0.058  0.460     86.637  4.45   0.0      2     94.061/    94.061
   2      0.997  0.987  0.682     84.491  4.51  10.9      2     94.433/    94.433
   3      0.780  0.553  0.009     83.228  4.61  25.8      2     95.020/    95.020

   SET #3 of 8 TRIAL #32 of 55
   ---------------------------
   Ensemble helix_pdb Euler  89.72  37.80 148.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.796  0.300  0.414     94.806  4.54
   2      0.296  0.800  0.414     94.806  4.54
   3      0.706  0.808  0.981     94.631  4.51
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #32 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.206  0.308  0.981     83.360  4.51   0.0      2     94.631/    94.631
   2      0.488  0.194  0.530     81.235  4.45  27.0      2     94.249/    94.249
   3      0.796  0.300  0.414     74.107  4.54  25.0      2     94.806/    94.806

   SET #3 of 8 TRIAL #33 of 55
   ---------------------------
   Ensemble helix_pdb Euler 114.47  38.85 151.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #34 of 55
   ---------------------------
   Ensemble helix_pdb Euler 238.45  34.59 163.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.484  0.469  0.460     96.578  4.69
   2      0.984  0.969  0.460     96.578  4.69
   3      0.482  0.790  0.959     96.395  4.66
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #34 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.510  0.961  0.021     78.989  4.40   0.0      2     94.844/    94.844
   2      0.962  0.586  0.902     77.105  4.38  44.0      4     94.694/    94.694
   3      0.200  0.557  0.730     74.879  4.55  22.6      2     95.730/    95.730
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #35 of 55
   ---------------------------
   Ensemble helix_pdb Euler 125.04  28.98 150.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 58 sites over 67.5% of top
   58 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.301  0.220  0.051     101.14  4.97
   2      0.801  0.720  0.051     101.14  4.97
   3      0.307  0.225  0.058     100.94  4.94
   #Sites = 58: output truncated to 3 sites

   Top 58 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #35 of 55
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 13 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.296  0.277  0.515     85.847  4.36   0.0      4     97.407/    98.402
   2      0.559  0.874  0.773     82.107  4.49  20.9      2     98.194/    98.194
   3      0.262  0.978  0.998     80.376  4.52  31.7      4     98.362/    98.362
   #SITES = 13: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #36 of 55
   ---------------------------
   Ensemble helix_pdb Euler  56.35  20.61 156.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.391  0.872  0.605     95.628  4.81
   2      0.891  0.372  0.605     95.628  4.81
   3      0.572  0.408  0.679     94.266  4.57
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #36 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.572  0.408  0.679     84.304  4.57   0.0      2     94.266/    94.266

   SET #3 of 8 TRIAL #37 of 55
   ---------------------------
   Ensemble helix_pdb Euler 331.02  25.47 151.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 24 sites over 67.5% of top
   24 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.815  0.913  0.953     98.317  4.98
   2      0.315  0.413  0.953     98.317  4.98
   3      0.689  0.426  0.502     97.553  4.85
   #Sites = 24: output truncated to 3 sites

   Top 24 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #37 of 55
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.689  0.426  0.502     87.244  4.85   0.0      4     97.553/    97.553
   2      0.574  0.903  0.742     84.218  4.77  21.8      2     97.053/    97.053
   3      0.815  0.913  0.953     84.100  4.98  25.7      2     98.317/    98.317
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #38 of 55
   ---------------------------
   Ensemble helix_pdb Euler   1.14  23.98 157.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.627  0.580  0.740     94.425  4.73
   2      0.127  0.080  0.740     94.425  4.73

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #38 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.627  0.580  0.740     74.253  4.73   0.0      2     94.425/    94.425

   SET #3 of 8 TRIAL #39 of 55
   ---------------------------
   Ensemble helix_pdb Euler  72.90  36.76 146.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.660  0.730  0.860     99.510  5.33
   2      0.160  0.230  0.860     99.510  5.33
   3      0.823  0.229  0.962     97.321  4.94
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #39 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.660  0.730  0.860     86.758  5.33   0.0      2     99.510/    99.510
   2      0.829  0.230  0.969     84.788  4.74  17.1      4     96.196/    97.321
   3      0.883  0.989  0.354     78.640  4.55  24.7      2     95.088/    95.088
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #40 of 55
   ---------------------------
   Ensemble helix_pdb Euler 243.79  38.08 168.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.694  0.131  0.789     96.563  5.29
   2      0.194  0.631  0.789     96.563  5.29
   3      0.373  0.037  0.361     94.042  4.86
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #40 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.485  0.333  0.851     83.133  4.79   0.0      2     93.628/    93.628
   2      0.873  0.537  0.361     82.264  4.86  26.9      2     94.042/    94.042
   3      0.694  0.131  0.789     80.050  5.29  22.7      2     96.563/    96.563
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #41 of 55
   ---------------------------
   Ensemble helix_pdb Euler 226.10  28.67 167.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 20 sites over 67.5% of top
   20 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.551  0.921  0.143     100.45  5.13
   2      0.051  0.421  0.143     100.45  5.13
   3      0.500  0.914  0.024      96.72  4.50
   #Sites = 20: output truncated to 3 sites

   Top 20 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #41 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.551  0.921  0.143     81.709  5.13   0.0      2     100.45/    100.45
   2      0.450  0.299  0.931     80.161  4.21  10.2      2      95.07/     95.07
   3      0.945  0.905  0.579     77.629  4.49  28.1      2      96.70/     96.70
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #42 of 55
   ---------------------------
   Ensemble helix_pdb Euler 179.38  35.69 151.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 20 sites over 67.5% of top
   20 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.513  0.304  0.773     97.459  5.00
   2      0.013  0.804  0.773     97.459  5.00
   3      0.495  0.341  0.002     95.812  4.72
   #Sites = 20: output truncated to 3 sites

   Top 20 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #42 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.513  0.304  0.773     86.405  5.00   0.0      4     97.459/    97.459
   2      0.987  0.251  0.668     81.015  4.39  35.3      2     93.800/    93.800
   3      0.442  0.363  0.883     80.999  4.40  12.4      2     93.870/    93.870
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #43 of 55
   ---------------------------
   Ensemble helix_pdb Euler 217.47  27.18 176.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.458  0.323  0.585     95.211  4.88
   2      0.958  0.823  0.585     95.211  4.88
   3      0.464  0.328  0.594     94.773  4.80
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #43 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.958  0.823  0.585     85.305  4.88   0.0      4     95.211/    95.211

   SET #3 of 8 TRIAL #44 of 55
   ---------------------------
   Ensemble helix_pdb Euler  10.68  27.05 148.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.643  0.576  0.078     96.126  4.79
   2      0.143  0.076  0.078     96.126  4.79
   3      0.842  0.977  0.462     95.356  4.66
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #44 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.591  0.977  0.970     79.569  4.45   0.0      2     94.095/    94.095
   2      0.061  0.475  0.180     77.021  4.42  38.1      2     93.909/    93.909
   3      0.143  0.076  0.078     75.853  4.79  26.8      2     96.126/    96.126
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #45 of 55
   ---------------------------
   Ensemble helix_pdb Euler 350.92  26.21 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.822  0.099  0.756     95.914  4.86
   2      0.322  0.599  0.756     95.914  4.86
   3      0.352  0.555  0.737     95.725  4.83
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #45 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.822  0.099  0.756     82.598  4.86   0.0      2     95.914/    95.914
   2      0.024  0.606  0.629     80.454  4.58  27.3      4     94.222/    94.233
   3      0.852  0.055  0.737     76.824  4.83   3.8      2     95.725/    95.725
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #46 of 55
   ---------------------------
   Ensemble helix_pdb Euler 351.88  21.68 148.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.428  0.529  0.646     96.058  5.22
   2      0.928  0.029  0.646     96.058  5.22

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #46 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.428  0.529  0.646     82.679  5.22   0.0      2     96.058/    96.058

   SET #3 of 8 TRIAL #47 of 55
   ---------------------------
   Ensemble helix_pdb Euler 276.54  23.49 171.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.379  0.339  0.395     94.537  4.99
   2      0.879  0.839  0.395     94.537  4.99

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #47 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.879  0.839  0.395     80.753  4.99   0.0      2     94.537/    94.537

   SET #3 of 8 TRIAL #48 of 55
   ---------------------------
   Ensemble helix_pdb Euler 286.88  23.04 169.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.654  0.836  0.510     93.671  4.85
   2      0.154  0.336  0.510     93.671  4.85
   3      0.432  0.337  0.396     93.478  4.82
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #48 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.580  0.380  0.293     84.532  4.74   0.0      2     93.044/    93.044
   2      0.654  0.836  0.510     84.216  4.85  15.3      2     93.671/    93.671
   3      0.932  0.837  0.396     80.059  4.82  30.7      2     93.478/    93.478

   SET #3 of 8 TRIAL #49 of 55
   ---------------------------
   Ensemble helix_pdb Euler 316.81  32.12 167.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.490  0.022  0.820     96.650  4.70
   2      0.990  0.522  0.820     96.650  4.70
   3      0.491  0.579  0.818     95.770  4.55
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #49 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.137  0.978  0.834     79.113  4.35   0.0      2     94.555/    94.555
   2      0.490  0.022  0.820     76.561  4.70  33.2      2     96.650/    96.650
   3      0.676  0.963  0.952     76.381  4.31  43.3      2     94.309/    94.309
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #50 of 55
   ---------------------------
   Ensemble helix_pdb Euler  30.36  24.91 165.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.363  0.914  0.530     94.859  4.63
   2      0.863  0.414  0.530     94.859  4.63
   3      0.544  0.350  0.643     94.640  4.59
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #50 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.044  0.850  0.643     83.112  4.59   0.0      2     94.640/    94.640
   2      0.863  0.414  0.530     71.105  4.63  16.9      2     94.859/    94.859

   SET #3 of 8 TRIAL #51 of 55
   ---------------------------
   Ensemble helix_pdb Euler 168.90  35.29 142.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #52 of 55
   ---------------------------
   Ensemble helix_pdb Euler  86.17  34.18 153.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 52 sites over 67.5% of top
   52 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.759  0.342  0.855     99.882  4.90
   2      0.259  0.842  0.855     99.882  4.90
   3      0.781  0.564  0.914     99.558  4.85
   #Sites = 52: output truncated to 3 sites

   Top 52 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #52 of 55
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 14 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.088  0.791  0.302     81.558  4.79   0.0      2     99.215/    99.215
   2      0.587  0.796  0.298     78.062  4.18  23.7      2     95.499/    95.499
   3      0.971  0.769  0.528     77.347  4.22  14.9      2     95.755/    95.755
   #SITES = 14: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #53 of 55
   ---------------------------
   Ensemble helix_pdb Euler 296.42  20.58 159.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.645  0.769  0.517     96.078  5.37
   2      0.145  0.269  0.517     96.078  5.37

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #53 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.145  0.269  0.517     82.265  5.37   0.0      2     96.078/    96.078

   SET #3 of 8 TRIAL #54 of 55
   ---------------------------
   Ensemble helix_pdb Euler 246.31  25.15 174.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #55 of 55
   ---------------------------
   Ensemble helix_pdb Euler 335.56  60.15 153.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.610  0.478  0.920     93.690  4.97
   2      0.110  0.978  0.920     93.690  4.97

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #55 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.110  0.978  0.920     81.561  4.97   0.0      2     93.690/    93.690

----------------------------
TRANSLATION FUNCTION #4 OF 8
----------------------------

   SOLU SET  RFZ=4.5 TFZ=4.1 PAK=0 LLG=58
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  316.1   42.2  152.6 FRAC -0.28 -0.52 -0.18 BFAC -8.97
   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   88.5 RFZ  4.24

   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   88.3 RFZ  4.23

   SOLU TRIAL ENSEMBLE helix_pdb EULER   51.869   24.857  151.761 RF   87.1 RFZ  4.09

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   86.6 RFZ  4.04

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.424   24.033  161.846 RF   86.6 RFZ  4.04

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.535   25.925  148.923 RF   86.4 RFZ  4.02

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   86.0 RFZ  3.98

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   85.9 RFZ  3.97

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   85.8 RFZ  3.96

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   85.7 RFZ  3.95

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.201   26.601  163.128 RF   85.1 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   85.0 RFZ  3.86

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   84.7 RFZ  3.84

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   84.5 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   84.5 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   84.5 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   84.5 RFZ  3.81

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   84.4 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   84.2 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   84.2 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   84.1 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   83.9 RFZ  3.75

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   83.9 RFZ  3.75

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   83.8 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   83.8 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   83.8 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   83.7 RFZ  3.73

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   83.7 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   83.6 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   83.6 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   83.5 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   83.5 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   83.5 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   83.4 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   83.4 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   83.2 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   83.1 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   83.1 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   82.9 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   82.9 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   82.8 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   82.8 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   82.5 RFZ  3.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   82.4 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   82.3 RFZ  3.57

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   82.2 RFZ  3.57

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   82.0 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   81.9 RFZ  3.53

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   81.7 RFZ  3.51

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   81.5 RFZ  3.48

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   81.4 RFZ  3.48

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   81.4 RFZ  3.48

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   81.3 RFZ  3.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   81.2 RFZ  3.46 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   81.2 RFZ  3.46 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   81.2 RFZ  3.45 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   81.0 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   81.0 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   80.9 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   80.9 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   80.8 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   80.8 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.203   35.142  161.594 RF   80.8 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   80.7 RFZ  3.40 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   80.7 RFZ  3.40 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.388   40.196  156.612 RF   80.6 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   80.6 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   80.5 RFZ  3.38 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   80.3 RFZ  3.36 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   80.3 RFZ  3.36 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.262   28.939  129.773 RF   80.2 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   12.483   21.810  155.358 RF   80.2 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.771   36.460  172.722 RF   80.2 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   80.1 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   29.925   26.470  156.022 RF   80.0 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   80.0 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   80.0 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   80.0 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   79.8 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.649   35.266  161.001 RF   79.7 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.705   28.038  181.965 RF   79.7 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  210.850   39.450  164.662 RF   79.7 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   79.6 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.844   29.075  162.258 RF   79.5 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.526   31.131  133.953 RF   79.4 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   79.3 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  108.160   30.031  138.942 RF   79.3 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.105   29.162  138.969 RF   79.2 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.278   40.307  158.593 RF   79.1 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.791   30.761  150.363 RF   78.9 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   78.9 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.453   21.186  136.283 RF   78.8 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.303   26.896  133.601 RF   78.8 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.302   50.743  192.838 RF   78.8 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.732   40.369  165.315 RF   78.7 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   78.7 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.078   44.065  153.168 RF   78.6 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   78.6 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.853   49.425  194.168 RF   78.5 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.279   27.013  139.028 RF   78.5 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.561   28.504  159.572 RF   78.4 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  251.757   23.300  178.313 RF   78.4 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   78.3 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  139.502   30.142  154.811 RF   78.3 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.275   54.297  181.356 RF   78.2 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.765   26.601  136.983 RF   78.1 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  218.966   34.600  185.712 RF   78.1 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.182   36.981  179.693 RF   78.1 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   38.861   16.401  156.062 RF   78.0 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  182.024   40.582  148.556 RF   78.0 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.820   38.127  146.797 RF   77.9 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   77.8 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  147.239   28.399  136.646 RF   77.7 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.760   41.761  152.978 RF   77.7 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.306   29.978  154.977 RF   77.7 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.791   32.132  146.853 RF   77.7 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   25.214   19.891  151.386 RF   77.6 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.862   32.433  178.320 RF   77.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.227   45.283  158.453 RF   77.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.224   25.260  140.714 RF   77.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.560   45.317  156.800 RF   77.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   14.334   23.518  135.651 RF   77.4 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.674   29.315  136.354 RF   77.4 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  214.423   56.768  173.963 RF   77.3 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.299   19.821  136.813 RF   77.3 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   77.3 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.387   20.578  161.440 RF   77.3 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   88.596   14.547  113.772 RF   77.3 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  120.330   37.137  144.780 RF   77.2 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.350   24.444   96.617 RF   77.2 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  353.579   30.665  168.047 RF   77.1 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.500   39.817  171.071 RF   77.1 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.743   34.377  143.791 RF   77.1 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.483   42.272  158.790 RF   77.0 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.583   40.879  160.397 RF   77.0 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.460   21.314  150.409 RF   76.9 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   49.289   33.293  141.902 RF   76.8 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  323.822   26.217  181.423 RF   76.8 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.138   25.215  134.276 RF   76.5 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  167.913   39.885  143.186 RF   76.5 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  171.632   44.458  159.325 RF   76.5 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  270.077   26.844  178.929 RF   76.5 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  131.617   36.655  164.234 RF   76.5 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.257   30.048  168.017 RF   76.5 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.049   35.847  175.245 RF   76.4 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.047   28.565  158.082 RF   76.4 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  237.787   44.836  165.264 RF   76.4 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   17.831   18.414  140.969 RF   76.4 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.035   34.851  174.050 RF   76.4 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.443   43.194  171.864 RF   76.3 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.683   28.520  158.446 RF   76.3 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  186.873   43.841  170.156 RF   76.3 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  187.914   33.960  177.620 RF   76.3 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   78.454   33.718  128.610 RF   76.1 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.279   48.442  147.730 RF   76.1 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.392   19.880  167.093 RF   76.1 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  327.778   16.454  154.763 RF   76.1 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.893   24.939  180.164 RF   76.0 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    2.250   24.787  138.003 RF   76.0 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   39.722   18.231  145.587 RF   76.0 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.876   44.557  156.213 RF   76.0 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.749   32.036  139.851 RF   76.0 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  273.241   25.466  218.527 RF   76.0 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.414    5.368  211.612 RF   75.9 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  116.193   13.908   85.859 RF   75.9 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  309.155   23.841  175.706 RF   75.9 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  201.232   44.691  195.382 RF   75.8 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  199.461   39.034  167.248 RF   75.8 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  292.600   27.121  184.996 RF   75.8 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.480   24.023  131.089 RF   75.8 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.974   29.645  155.250 RF   75.8 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  301.686   18.210  172.997 RF   75.7 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   26.727   22.173  134.486 RF   75.7 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.581   30.297  164.048 RF   75.6 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.349   34.097  182.439 RF   75.5 RFZ  2.84 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   35.719   33.639  180.082 RF   75.5 RFZ  2.84 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.170   40.468  144.627 RF   75.4 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.095   20.634  108.809 RF   75.4 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  338.494   31.758  176.517 RF   75.4 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  249.985    7.323  233.307 RF   75.4 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.583   29.426  173.150 RF   75.4 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  205.761   41.527  180.889 RF   75.3 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.308   53.759  154.829 RF   75.3 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  265.401   31.788  207.757 RF   75.3 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.664   23.050  182.201 RF   75.3 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.664   28.496  175.086 RF   75.3 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.311   43.587  168.237 RF   75.3 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  159.766   34.093  132.723 RF   75.2 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.724   13.530   93.504 RF   75.2 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  148.402   38.491  144.073 RF   75.2 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.868   17.129  138.121 RF   75.2 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.036   32.648  147.192 RF   75.1 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.724    9.032  130.621 RF   75.0 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.968   41.276  171.853 RF   75.0 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.201   37.089  156.639 RF   75.0 RFZ  2.78 # DEEP

   This TF set has 195 trial orientations

   #    Euler                  Rot-LLG      RF     RFZ  Ensemble
   1     260.3   25.9  169.4      88.7    88.5     4.2 helix_pdb
   2      61.8   25.2  150.8      87.6    88.3     4.2 helix_pdb
   3      51.9   24.9  151.8      86.2    87.1     4.1 helix_pdb
   4     144.5   34.2  148.9      85.1    86.6     4.0 helix_pdb
   5     330.4   24.0  161.8      85.9    86.6     4.0 helix_pdb
   6      81.5   25.9  148.9      86.5    86.4     4.0 helix_pdb
   7     254.3   27.7  166.2      85.5    86.0     4.0 helix_pdb
   8      65.1   29.9  146.5      84.8    85.9     4.0 helix_pdb
   9     311.9   26.5  162.4      85.2    85.8     4.0 helix_pdb
   10     95.2   25.2  143.9      85.2    85.7     3.9 helix_pdb
   11    302.2   26.6  163.1      84.6    85.1     3.9 helix_pdb
   12    154.7   35.4  158.0      86.7    85.0     3.9 helix_pdb
   13    266.4   24.0  172.4      84.8    84.7     3.8 helix_pdb
   14    138.4   28.8  146.0      84.7    84.5     3.8 helix_pdb
   15      1.1   24.0  157.9      82.9    84.5     3.8 helix_pdb
   16    105.0   25.8  143.1      85.8    84.5     3.8 helix_pdb
   17     41.8   24.6  152.9      83.8    84.5     3.8 helix_pdb
   18    130.9   39.3  153.8      84.7    84.4     3.8 helix_pdb
   19    119.8   27.8  146.6      85.4    84.2     3.8 helix_pdb
   20    238.5   34.6  163.9      83.3    84.2     3.8 helix_pdb
   21    125.0   29.0  150.7      83.5    84.1     3.8 helix_pdb
   22    290.4   33.1  166.7      83.9    83.9     3.8 helix_pdb
   23     68.5   27.2  153.3      84.7    83.9     3.8 helix_pdb
   24     66.9   34.6  143.2      84.5    83.8     3.7 helix_pdb
   25    281.6   33.4  166.5      84.1    83.8     3.7 helix_pdb
   26    332.6   27.0  170.3      84.2    83.8     3.7 helix_pdb
   27     98.1   38.3  149.4      84.2    83.7     3.7 helix_pdb
   28    170.1   30.7  141.5      84.1    83.7     3.7 helix_pdb
   29    240.9   26.8  170.8      84.2    83.6     3.7 helix_pdb
   30     56.3   20.6  156.8      83.5    83.6     3.7 helix_pdb
   31    231.2   27.3  171.5      84.1    83.5     3.7 helix_pdb
   32     89.7   37.8  148.5      84.0    83.5     3.7 helix_pdb
   33    136.3   40.2  158.3      84.5    83.5     3.7 helix_pdb
   34    243.8   38.1  168.7      82.9    83.4     3.7 helix_pdb
   35    161.0   30.0  141.4      84.2    83.4     3.7 helix_pdb
   36    350.9   26.2  159.2      82.3    83.2     3.7 helix_pdb
   37    114.5   26.4  142.5      85.0    83.1     3.7 helix_pdb
   38    114.5   38.8  151.6      83.7    83.1     3.7 helix_pdb
   39    286.9   23.0  169.8      82.1    82.9     3.6 helix_pdb
   40     72.9   36.8  146.8      83.1    82.9     3.6 helix_pdb
   41    276.5   23.5  171.3      82.3    82.8     3.6 helix_pdb
   42    179.4   35.7  151.0      82.8    82.8     3.6 helix_pdb
   43    226.1   28.7  167.3      82.7    82.5     3.6 helix_pdb
   44     86.2   34.2  153.4      81.9    82.4     3.6 helix_pdb
   45    351.9   21.7  148.5      82.5    82.3     3.6 helix_pdb
   46    316.8   32.1  167.6      82.0    82.2     3.6 helix_pdb
   47    133.6   27.8  141.5      83.9    82.0     3.5 helix_pdb
   48    219.0   39.2  165.8      81.0    81.9     3.5 helix_pdb
   49    168.8   39.9  163.1      81.1    81.7     3.5 helix_pdb
   50    168.9   35.3  142.5      82.0    81.5     3.5 helix_pdb
   51     94.9   34.5  153.8      80.5    81.4     3.5 helix_pdb
   52    152.6   30.0  150.4      79.8    81.4     3.5 helix_pdb
   ----- angles below here for deep search only -----
   53    232.6   37.5  171.1      79.8    81.3     3.5 helix_pdb
   54    322.8   28.6  160.3      81.1    81.2     3.5 helix_pdb
   55    246.3   25.1  174.6      81.7    81.2     3.5 helix_pdb
   56    155.4   40.0  157.0      81.0    81.2     3.5 helix_pdb
   57    163.6   40.0  158.2      80.1    81.0     3.4 helix_pdb
   58    221.3   35.0  162.8      79.7    81.0     3.4 helix_pdb
   59     10.7   27.0  148.4      82.6    80.9     3.4 helix_pdb
   60    217.5   27.2  176.3      82.7    80.9     3.4 helix_pdb
   61    296.4   20.6  159.3      81.9    80.8     3.4 helix_pdb
   62    248.5   40.7  162.8      80.2    80.8     3.4 helix_pdb
   63    204.2   35.1  161.6      78.9    80.8     3.4 helix_pdb
   64    285.3   35.8  173.3      80.8    80.7     3.4 helix_pdb
   65    260.3   37.3  170.7      80.3    80.7     3.4 helix_pdb
   66    183.4   40.2  156.6      79.1    80.6     3.4 helix_pdb
   67    331.0   25.5  151.2      83.2    80.6     3.4 helix_pdb
   68    248.3   29.3  162.7      80.4    80.5     3.4 helix_pdb
   69    165.5   35.6  167.6      81.3    80.3     3.4 helix_pdb
   70     27.1   27.8  147.5      80.6    80.3     3.4 helix_pdb
   71     79.3   28.9  129.8      78.9    80.2     3.3 helix_pdb
   72     12.5   21.8  155.4      78.4    80.2     3.3 helix_pdb
   73    276.8   36.5  172.7      79.5    80.2     3.3 helix_pdb
   74    302.5   34.5  174.6      81.4    80.1     3.3 helix_pdb
   75     29.9   26.5  156.0      80.1    80.0     3.3 helix_pdb
   76     60.8   26.6  129.6      79.9    80.0     3.3 helix_pdb
   77    174.8   35.2  168.2      81.3    80.0     3.3 helix_pdb
   78    188.5   36.1  151.9      80.5    80.0     3.3 helix_pdb
   79     30.4   24.9  165.3      81.9    79.8     3.3 helix_pdb
   80    195.6   35.3  161.0      78.5    79.7     3.3 helix_pdb
   81    304.7   28.0  182.0      78.4    79.7     3.3 helix_pdb
   82    210.9   39.5  164.7      77.7    79.7     3.3 helix_pdb
   83    224.3   30.8  179.4      79.1    79.6     3.3 helix_pdb
   84    266.8   29.1  162.3      79.0    79.5     3.3 helix_pdb
   85     84.5   31.1  134.0      78.3    79.4     3.3 helix_pdb
   86    352.1   21.6  169.2      80.3    79.3     3.3 helix_pdb
   87    108.2   30.0  138.9      78.3    79.3     3.2 helix_pdb
   88     99.1   29.2  139.0      78.2    79.2     3.2 helix_pdb
   89    197.3   40.3  158.6      77.4    79.1     3.2 helix_pdb
   90    170.8   30.8  150.4      78.1    78.9     3.2 helix_pdb
   91    335.6   60.2  153.7      82.0    78.9     3.2 helix_pdb
   92     84.5   21.2  136.3      78.0    78.8     3.2 helix_pdb
   93     47.3   26.9  133.6      78.1    78.8     3.2 helix_pdb
   94    194.3   50.7  192.8      78.3    78.8     3.2 helix_pdb
   95    264.7   40.4  165.3      79.0    78.7     3.2 helix_pdb
   96    207.9   27.9  176.7      80.8    78.7     3.2 helix_pdb
   97    140.1   44.1  153.2      77.7    78.6     3.2 helix_pdb
   98     10.9   21.0  165.8      80.5    78.6     3.2 helix_pdb
   99     55.9   49.4  194.2      79.5    78.5     3.2 helix_pdb
   100    31.3   27.0  139.0      79.6    78.5     3.2 helix_pdb
   101   341.6   28.5  159.6      78.7    78.4     3.2 helix_pdb
   102   251.8   23.3  178.3      77.5    78.4     3.2 helix_pdb
   103    42.6   32.8  151.2      79.7    78.3     3.1 helix_pdb
   104   139.5   30.1  154.8      77.6    78.3     3.1 helix_pdb
   105   227.3   54.3  181.4      77.2    78.2     3.1 helix_pdb
   106   128.8   26.6  137.0      78.1    78.1     3.1 helix_pdb
   107   219.0   34.6  185.7      77.0    78.1     3.1 helix_pdb
   108   206.2   37.0  179.7      78.3    78.1     3.1 helix_pdb
   109    38.9   16.4  156.1      77.8    78.0     3.1 helix_pdb
   110   182.0   40.6  148.6      77.9    78.0     3.1 helix_pdb
   111   136.8   38.1  146.8      76.1    77.9     3.1 helix_pdb
   112    35.0   58.5  174.9      79.6    77.8     3.1 helix_pdb
   113   147.2   28.4  136.6      79.3    77.7     3.1 helix_pdb
   114   209.8   41.8  153.0      78.3    77.7     3.1 helix_pdb
   115   130.3   30.0  155.0      77.3    77.7     3.1 helix_pdb
   116   194.8   32.1  146.9      78.8    77.7     3.1 helix_pdb
   117    25.2   19.9  151.4      76.3    77.6     3.1 helix_pdb
   118   206.9   32.4  178.3      77.9    77.5     3.1 helix_pdb
   119   206.2   45.3  158.5      77.4    77.5     3.1 helix_pdb
   120    52.2   25.3  140.7      75.9    77.5     3.1 helix_pdb
   121   197.6   45.3  156.8      77.9    77.5     3.1 helix_pdb
   122    14.3   23.5  135.7      77.5    77.4     3.1 helix_pdb
   123   156.7   29.3  136.4      78.9    77.4     3.0 helix_pdb
   124   214.4   56.8  174.0      78.3    77.3     3.0 helix_pdb
   125    37.3   19.8  136.8      76.5    77.3     3.0 helix_pdb
   126   207.4   29.4  167.8      78.3    77.3     3.0 helix_pdb
   127   285.4   20.6  161.4      80.0    77.3     3.0 helix_pdb
   128    88.6   14.5  113.8      78.5    77.3     3.0 helix_pdb
   129   120.3   37.1  144.8      76.1    77.2     3.0 helix_pdb
   130   300.4   24.4   96.6      77.4    77.2     3.0 helix_pdb
   131   353.6   30.7  168.0      78.1    77.1     3.0 helix_pdb
   132   174.5   39.8  171.1      76.7    77.1     3.0 helix_pdb
   133    37.7   34.4  143.8      77.6    77.1     3.0 helix_pdb
   134   242.5   42.3  158.8      76.8    77.0     3.0 helix_pdb
   135   125.6   40.9  160.4      78.2    77.0     3.0 helix_pdb
   136    89.5   21.3  150.4      77.2    76.9     3.0 helix_pdb
   137    49.3   33.3  141.9      78.0    76.8     3.0 helix_pdb
   138   323.8   26.2  181.4      76.4    76.8     3.0 helix_pdb
   139    31.1   25.2  134.3      76.2    76.5     3.0 helix_pdb
   140   167.9   39.9  143.2      75.1    76.5     2.9 helix_pdb
   141   171.6   44.5  159.3      75.0    76.5     2.9 helix_pdb
   142   270.1   26.8  178.9      75.1    76.5     2.9 helix_pdb
   143   131.6   36.7  164.2      79.7    76.5     2.9 helix_pdb
   144     9.3   30.0  168.0      78.1    76.5     2.9 helix_pdb
   145   238.0   35.8  175.2      74.3    76.4     2.9 helix_pdb
   146    19.0   28.6  158.1      78.2    76.4     2.9 helix_pdb
   147   237.8   44.8  165.3      74.2    76.4     2.9 helix_pdb
   148    17.8   18.4  141.0      76.5    76.4     2.9 helix_pdb
   149   179.0   34.9  174.0      76.6    76.4     2.9 helix_pdb
   150   195.4   43.2  171.9      75.2    76.3     2.9 helix_pdb
   151     9.7   28.5  158.4      77.8    76.3     2.9 helix_pdb
   152   186.9   43.8  170.2      76.7    76.3     2.9 helix_pdb
   153   187.9   34.0  177.6      75.9    76.3     2.9 helix_pdb
   154    78.5   33.7  128.6      74.1    76.1     2.9 helix_pdb
   155   153.3   48.4  147.7      74.4    76.1     2.9 helix_pdb
   156   316.4   19.9  167.1      75.2    76.1     2.9 helix_pdb
   157   327.8   16.5  154.8      74.4    76.1     2.9 helix_pdb
   158   231.9   24.9  180.2      75.2    76.0     2.9 helix_pdb
   159     2.3   24.8  138.0      75.5    76.0     2.9 helix_pdb
   160    39.7   18.2  145.6      75.5    76.0     2.9 helix_pdb
   161   155.9   44.6  156.2      74.8    76.0     2.9 helix_pdb
   162   239.7   32.0  139.9      75.5    76.0     2.9 helix_pdb
   163   273.2   25.5  218.5      76.6    76.0     2.9 helix_pdb
   164   101.4    5.4  211.6      76.6    75.9     2.9 helix_pdb
   165   116.2   13.9   85.9      76.2    75.9     2.9 helix_pdb
   166   309.2   23.8  175.7      75.1    75.9     2.9 helix_pdb
   167   201.2   44.7  195.4      76.0    75.8     2.9 helix_pdb
   168   199.5   39.0  167.2      74.3    75.8     2.9 helix_pdb
   169   292.6   27.1  185.0      73.9    75.8     2.9 helix_pdb
   170    79.5   24.0  131.1      73.8    75.8     2.9 helix_pdb
   171   112.0   29.6  155.3      76.7    75.8     2.9 helix_pdb
   172   301.7   18.2  173.0      74.6    75.7     2.9 helix_pdb
   173    26.7   22.2  134.5      75.8    75.7     2.9 helix_pdb
   174   192.6   30.3  164.0      78.8    75.6     2.9 helix_pdb
   175   231.3   34.1  182.4      74.0    75.5     2.8 helix_pdb
   176    35.7   33.6  180.1      75.1    75.5     2.8 helix_pdb
   177   176.2   40.5  144.6      75.5    75.4     2.8 helix_pdb
   178   101.1   20.6  108.8      75.5    75.4     2.8 helix_pdb
   179   338.5   31.8  176.5      75.4    75.4     2.8 helix_pdb
   180   250.0    7.3  233.3      74.8    75.4     2.8 helix_pdb
   181   192.6   29.4  173.2      75.3    75.4     2.8 helix_pdb
   182   205.8   41.5  180.9      73.9    75.3     2.8 helix_pdb
   183   156.3   53.8  154.8      77.0    75.3     2.8 helix_pdb
   184   265.4   31.8  207.8      74.6    75.3     2.8 helix_pdb
   185   332.7   23.1  182.2      74.8    75.3     2.8 helix_pdb
   186   350.7   28.5  175.1      75.9    75.3     2.8 helix_pdb
   187   217.3   43.6  168.2      74.6    75.3     2.8 helix_pdb
   188   159.8   34.1  132.7      73.6    75.2     2.8 helix_pdb
   189   287.7   13.5   93.5      77.5    75.2     2.8 helix_pdb
   190   148.4   38.5  144.1      73.2    75.2     2.8 helix_pdb
   191    55.9   17.1  138.1      74.3    75.2     2.8 helix_pdb
   192   204.0   32.6  147.2      76.8    75.1     2.8 helix_pdb
   193    63.7    9.0  130.6      75.2    75.0     2.8 helix_pdb
   194   154.0   41.3  171.9      74.0    75.0     2.8 helix_pdb
   195    56.2   37.1  156.6      74.2    75.0     2.8 helix_pdb
      52 trial orientations in initial search
      143 trial orientations in deep search

   Scoring 585 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #4 of 8
   0%        100%
   |==========| DONE

   Mean Score (Sigma):       36.57   (10.19)

   SET #4 of 8 TRIAL #1 of 52
   --------------------------
   Ensemble helix_pdb Euler 260.25  25.95 169.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 40 sites over 67.5% of top
   40 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.580  0.184  0.933     103.73  5.22
   2      0.080  0.684  0.933     103.73  5.22
   3      0.583  0.183  0.939      99.25  4.48
   #Sites = 40: output truncated to 3 sites

   Top 40 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #1 of 52
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.368  0.328  0.263     89.679  4.23   0.0      4     97.732/    97.928
   2      0.580  0.184  0.933     88.905  5.22  16.3      4    103.733/   103.733
   3      0.870  0.311  0.053     84.432  4.05  17.8      4     96.660/    97.626
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #2 of 52
   --------------------------
   Ensemble helix_pdb Euler  61.81  25.19 150.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 58 sites over 67.5% of top
   58 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.588  0.333  0.981     99.471  4.45
   2      0.088  0.833  0.981     99.471  4.45
   3      0.589  0.816  0.481     98.924  4.36
   #Sites = 58: output truncated to 3 sites

   Top 58 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #2 of 52
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 22 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.350  0.801  0.864     86.626  4.19   0.0      4     97.906/    97.906
   2      0.832  0.287  0.432     81.586  4.10  19.0      2     97.359/    97.359
   3      0.680  0.076  0.926     81.519  4.25  28.9      2     98.245/    98.245
   #SITES = 22: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #3 of 52
   --------------------------
   Ensemble helix_pdb Euler  51.87  24.86 151.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.596  0.773  0.480     97.338  4.44
   2      0.096  0.273  0.480     97.338  4.44
   3      0.729  0.135  0.035     96.202  4.25
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #3 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.835  0.256  0.424     81.561  4.11   0.0      2     95.365/    95.365
   2      0.229  0.635  0.035     80.878  4.25  27.3      2     96.202/    96.202
   3      0.688  0.030  0.925     80.653  4.20  25.7      2     95.928/    95.928
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #4 of 52
   --------------------------
   Ensemble helix_pdb Euler 144.54  34.20 148.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 36 sites over 67.5% of top
   36 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.728  0.351  0.764     104.98  5.64
   2      0.228  0.851  0.764     104.98  5.64
   3      0.272  0.848  0.878      99.11  4.70
   #Sites = 36: output truncated to 3 sites

   Top 36 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #4 of 52
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.728  0.351  0.764     93.547  5.64   0.0      4     104.98/    104.98
   2      0.772  0.348  0.878     87.048  4.70   5.6      2      99.11/     99.11
   3      0.501  0.119  0.153     86.059  4.14  25.5      2      95.59/     95.59
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #5 of 52
   --------------------------
   Ensemble helix_pdb Euler 330.42  24.03 161.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 26 sites over 67.5% of top
   26 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.409  0.916  0.979     98.678  4.86
   2      0.909  0.416  0.979     98.678  4.86
   3      0.825  0.917  0.090     97.766  4.72
   #Sites = 26: output truncated to 3 sites

   Top 26 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #5 of 52
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.825  0.480  0.409     86.740  4.53   0.0      2     96.620/    96.620
   2      0.825  0.482  0.090     84.404  4.57  20.2      2     96.884/    96.884
   3      0.325  0.417  0.090     83.361  4.72  25.1      2     97.766/    97.766
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #6 of 52
   --------------------------
   Ensemble helix_pdb Euler  81.53  25.92 148.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 36 sites over 67.5% of top
   36 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.358  0.966  0.547     100.02  4.85
   2      0.858  0.466  0.547     100.02  4.85
   3      0.365  0.968  0.554      99.47  4.76
   #Sites = 36: output truncated to 3 sites

   Top 36 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #6 of 52
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.882  0.373  0.656     87.200  4.47   0.0      2     97.676/    97.676
   2      0.895  0.832  0.002     87.122  4.21  23.9      6     96.082/    96.370
   3      0.844  0.197  0.501     86.262  4.68   9.1      4     98.989/    98.989
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #7 of 52
   --------------------------
   Ensemble helix_pdb Euler 254.25  27.73 166.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 38 sites over 67.5% of top
   38 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.271  0.332  0.487     100.23  4.76
   2      0.771  0.832  0.487     100.23  4.76
   3      0.272  0.355  0.168      99.57  4.65
   #Sites = 38: output truncated to 3 sites

   Top 38 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #7 of 52
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.247  0.229  0.814     88.960  4.22   0.0      2     96.943/    96.943
   2      0.207  0.827  0.504     87.002  4.46  19.9      2     98.402/    98.402
   3      0.834  0.866  0.706     84.882  3.90  30.1      2     94.982/    94.982
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #8 of 52
   --------------------------
   Ensemble helix_pdb Euler  65.08  29.91 146.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 22 sites over 67.5% of top
   22 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.832  0.783  0.430     98.487  4.79
   2      0.332  0.283  0.430     98.487  4.79
   3      0.826  0.223  0.108     98.059  4.72
   #Sites = 22: output truncated to 3 sites

   Top 22 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #8 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.832  0.783  0.430     90.911  4.79   0.0      4     98.487/    98.487
   2      0.326  0.723  0.108     86.444  4.72  27.1      2     98.059/    98.059
   3      0.377  0.207  0.225     83.140  4.56  34.2      4     97.110/    97.110
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #9 of 52
   --------------------------
   Ensemble helix_pdb Euler 311.90  26.45 162.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 38 sites over 67.5% of top
   38 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.397  0.336  0.518     100.67  4.90
   2      0.897  0.836  0.518     100.67  4.90
   3      0.403  0.334  0.527      99.06  4.64
   #Sites = 38: output truncated to 3 sites

   Top 38 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #9 of 52
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 15 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.903  0.834  0.527     85.394  4.64   0.0      4     99.059/   100.672
   2      0.232  0.850  0.414     84.916  4.10  15.1      4     95.671/    96.525
   3      0.796  0.885  0.079     82.524  4.06  23.4      2     95.431/    95.431
   #SITES = 15: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #10 of 52
   ---------------------------
   Ensemble helix_pdb Euler  95.22  25.15 143.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.383  0.931  0.664     98.230  4.85
   2      0.883  0.431  0.664     98.230  4.85
   3      0.619  0.440  0.107     96.939  4.64
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #10 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.883  0.431  0.664     90.302  4.85   0.0      2     98.230/    98.230
   2      0.398  0.368  0.014     84.529  4.32  32.9      4     95.054/    95.054
   3      0.845  0.241  0.507     78.953  4.39   9.3      2     95.447/    95.447
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #11 of 52
   ---------------------------
   Ensemble helix_pdb Euler 302.20  26.60 163.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.388  0.314  0.517     99.535  4.88
   2      0.888  0.814  0.517     99.535  4.88
   3      0.544  0.344  0.439     98.349  4.68
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #11 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.388  0.314  0.517     84.074  4.88   0.0      4     99.535/    99.535
   2      0.552  0.201  0.775     80.301  4.40  13.6      2     96.574/    96.574
   3      0.776  0.946  0.385     77.675  4.65  21.6      2     98.142/    98.142
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #12 of 52
   ---------------------------
   Ensemble helix_pdb Euler 154.74  35.36 158.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.729  0.306  0.433     96.101  4.24
   2      0.229  0.806  0.433     96.101  4.24
   3      0.281  0.678  0.234     95.672  4.17
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #12 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.234  0.736  0.122     82.069  4.13   0.0      2     95.419/    95.419
   2      0.172  0.432  0.955     79.823  4.01  10.9      2     94.724/    94.724
   3      0.661  0.127  0.648     78.187  4.01  14.5      2     94.691/    94.691
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #13 of 52
   ---------------------------
   Ensemble helix_pdb Euler 266.43  24.03 172.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #14 of 52
   ---------------------------
   Ensemble helix_pdb Euler 138.41  28.85 146.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 20 sites over 67.5% of top
   20 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.353  0.999  0.683     97.413  4.66
   2      0.853  0.499  0.683     97.413  4.66
   3      0.269  0.939  0.879     96.582  4.52
   #Sites = 20: output truncated to 3 sites

   Top 20 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #14 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.269  0.939  0.879     86.477  4.52   0.0      4     96.582/    96.582
   2      0.722  0.423  0.767     80.627  4.31  43.2      2     95.345/    95.345
   3      0.853  0.499  0.683     79.415  4.66  31.5      2     97.413/    97.413
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #15 of 52
   ---------------------------
   Ensemble helix_pdb Euler   1.14  23.98 157.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.823  0.524  0.548     99.045  5.33
   2      0.323  0.024  0.548     99.045  5.33
   3      0.386  0.485  0.719     93.983  4.51
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #15 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.323  0.024  0.548     87.805  5.33   0.0      2     99.045/    99.045
   2      0.886  0.985  0.719     76.042  4.51  15.4      2     93.983/    93.983

   SET #4 of 8 TRIAL #16 of 52
   ---------------------------
   Ensemble helix_pdb Euler 105.00  25.77 143.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.607  0.457  0.108     99.770  5.26
   2      0.107  0.957  0.108     99.770  5.26
   3      0.608  0.918  0.607     98.837  5.10
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #16 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.607  0.457  0.108     80.687  5.26   0.0      2     99.770/    99.770
   2      0.608  0.918  0.607     78.345  5.10  33.5      2     98.837/    98.837
   3      0.608  0.785  0.607     78.282  4.73  32.7      2     96.623/    96.623

   SET #4 of 8 TRIAL #17 of 52
   ---------------------------
   Ensemble helix_pdb Euler  41.80  24.60 152.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.366  0.203  0.170     94.423  4.49
   2      0.866  0.703  0.170     94.423  4.49
   3      0.839  0.341  0.425     94.001  4.42
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #17 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.339  0.841  0.425     78.839  4.42   0.0      2     94.001/    94.001
   2      0.866  0.703  0.170     72.762  4.49  29.6      2     94.423/    94.423

   SET #4 of 8 TRIAL #18 of 52
   ---------------------------
   Ensemble helix_pdb Euler 130.85  39.28 153.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.498  0.755  0.868     93.521  4.61
   2      0.998  0.255  0.868     93.521  4.61
   3      0.719  0.303  0.311     93.505  4.61
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #18 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.998  0.255  0.868     77.735  4.61   0.0      2     93.521/    93.521
   2      0.219  0.803  0.311     75.556  4.61  18.7      2     93.505/    93.505

   SET #4 of 8 TRIAL #19 of 52
   ---------------------------
   Ensemble helix_pdb Euler 119.80  27.80 146.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.369  0.002  0.673     97.169  4.63
   2      0.869  0.502  0.673     97.169  4.63
   3      0.394  0.907  0.321     96.556  4.53
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #19 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.815  0.740  0.937     83.078  4.51   0.0      2     96.463/    96.463
   2      0.747  0.435  0.764     81.989  4.28  11.1      2     95.051/    95.051
   3      0.117  0.471  0.007     78.997  4.35   8.0      4     95.471/    96.429
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #20 of 52
   ---------------------------
   Ensemble helix_pdb Euler 238.45  34.59 163.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.249  0.454  0.465     96.480  4.65
   2      0.749  0.954  0.465     96.480  4.65
   3      0.249  0.571  0.465     94.845  4.38
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #20 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.654  0.975  0.235     79.445  4.23   0.0      2     93.924/    93.924
   2      0.749  0.954  0.465     73.454  4.65  11.2      2     96.480/    96.480
   3      0.249  0.571  0.465     69.549  4.38  17.8      2     94.845/    94.845

   SET #4 of 8 TRIAL #21 of 52
   ---------------------------
   Ensemble helix_pdb Euler 125.04  28.98 150.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 50 sites over 67.5% of top
   50 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.301  0.217  0.936     100.04  4.78
   2      0.801  0.717  0.936     100.04  4.78
   3      0.302  0.844  0.550      99.06  4.63
   #Sites = 50: output truncated to 3 sites

   Top 50 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #21 of 52
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.798  0.715  0.932     82.736  4.29   0.0      4     97.026/   100.035
   2      0.273  0.914  0.873     82.376  4.37  46.2      4     97.475/    97.475
   3      0.729  0.396  0.763     78.678  3.94  11.2      2     94.861/    94.861
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #22 of 52
   ---------------------------
   Ensemble helix_pdb Euler 290.39  33.10 166.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.754  0.954  0.369     95.221  4.47
   2      0.254  0.454  0.369     95.221  4.47
   3      0.323  0.402  0.390     94.423  4.33
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #22 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.282  0.950  0.812     80.656  4.28   0.0      2     94.097/    94.097
   2      0.823  0.902  0.390     76.798  4.33  10.0      2     94.423/    94.423

   SET #4 of 8 TRIAL #23 of 52
   ---------------------------
   Ensemble helix_pdb Euler  68.53  27.20 153.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 46 sites over 67.5% of top
   46 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.356  0.909  0.539     98.562  4.64
   2      0.856  0.409  0.539     98.562  4.64
   3      0.810  0.409  0.427     98.517  4.64
   #Sites = 46: output truncated to 3 sites

   Top 46 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #23 of 52
   0%  100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 14 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.813  0.867  0.426     82.723  4.46   0.0      2     97.397/    97.397
   2      0.913  0.221  0.317     80.353  4.17  16.9      2     95.584/    95.584
   3      0.924  0.857  0.755     79.145  4.15  16.2      2     95.498/    95.498
   #SITES = 14: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #24 of 52
   ---------------------------
   Ensemble helix_pdb Euler  66.88  34.65 143.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.493  0.677  0.412     98.398  5.22
   2      0.993  0.177  0.412     98.398  5.22
   3      0.491  0.677  0.409     97.303  5.03
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #24 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.993  0.177  0.412     91.867  5.22   0.0      4     98.398/    98.398

   SET #4 of 8 TRIAL #25 of 52
   ---------------------------
   Ensemble helix_pdb Euler 281.57  33.45 166.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.305  0.361  0.146     95.339  4.55
   2      0.805  0.861  0.146     95.339  4.55
   3      0.314  0.398  0.386     94.222  4.36
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #25 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.305  0.361  0.146     82.058  4.55   0.0      2     95.339/    95.339
   2      0.814  0.898  0.386     76.938  4.36  30.1      2     94.222/    94.222
   3      0.712  0.908  0.447     73.572  4.32  29.0      2     93.969/    93.969

   SET #4 of 8 TRIAL #26 of 52
   ---------------------------
   Ensemble helix_pdb Euler 332.57  27.01 170.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.359  0.662  0.509     98.001  5.19
   2      0.859  0.162  0.509     98.001  5.19
   3      0.360  0.534  0.506     97.385  5.08
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #26 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.359  0.662  0.509     81.661  5.19   0.0      2     98.001/    98.001
   2      0.860  0.034  0.506     79.089  5.08  21.6      2     97.385/    97.385

   SET #4 of 8 TRIAL #27 of 52
   ---------------------------
   Ensemble helix_pdb Euler  98.11  38.34 149.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.726  0.664  0.635     93.723  4.61
   2      0.226  0.164  0.635     93.723  4.61

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #27 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.226  0.164  0.635     81.814  4.61   0.0      2     93.723/    93.723

   SET #4 of 8 TRIAL #28 of 52
   ---------------------------
   Ensemble helix_pdb Euler 170.10  30.70 141.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.248  0.879  0.890     98.489  5.03
   2      0.748  0.379  0.890     98.489  5.03
   3      0.257  0.355  0.894     97.767  4.90
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #28 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.765  0.851  0.906     86.262  4.49   0.0      4     95.432/    97.767
   2      0.248  0.879  0.890     85.005  5.03  45.3      4     98.489/    98.489
   3      0.759  0.417  0.572     78.899  4.37  23.3      2     94.715/    94.715
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #29 of 52
   ---------------------------
   Ensemble helix_pdb Euler 240.92  26.84 170.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.705  0.299  0.505     97.352  4.93
   2      0.205  0.799  0.505     97.352  4.93
   3      0.269  0.345  0.169     96.368  4.76
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #29 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.205  0.799  0.505     86.261  4.93   0.0      2     97.352/    97.352
   2      0.769  0.845  0.169     85.321  4.76  19.2      2     96.368/    96.368
   3      0.270  0.263  0.672     81.013  4.57  13.7      2     95.237/    95.237
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #30 of 52
   ---------------------------
   Ensemble helix_pdb Euler  56.35  20.61 156.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.563  0.451  0.566     96.692  5.09
   2      0.063  0.951  0.566     96.692  5.09
   3      0.560  0.454  0.561     94.305  4.68
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #30 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.063  0.951  0.566     85.725  5.09   0.0      4     96.692/    96.692
   2      0.451  0.434  0.778     84.733  4.57  31.2      2     93.712/    93.712
   3      0.867  0.966  0.548     79.665  4.60  12.4      2     93.840/    93.840

   SET #4 of 8 TRIAL #31 of 52
   ---------------------------
   Ensemble helix_pdb Euler 231.17  27.28 171.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.360  0.295  0.604     96.389  4.72
   2      0.860  0.795  0.604     96.389  4.72
   3      0.741  0.804  0.476     95.990  4.65
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #31 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.670  0.274  0.942     82.830  4.36   0.0      2     94.291/    94.291
   2      0.860  0.795  0.604     81.165  4.72  35.4      2     96.389/    96.389
   3      0.735  0.571  0.114     80.013  4.40  11.0      2     94.507/    94.507
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #32 of 52
   ---------------------------
   Ensemble helix_pdb Euler  89.72  37.80 148.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.734  0.640  0.635     94.614  4.69
   2      0.234  0.140  0.635     94.614  4.69

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #32 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.734  0.640  0.635     83.875  4.69   0.0      2     94.614/    94.614

   SET #4 of 8 TRIAL #33 of 52
   ---------------------------
   Ensemble helix_pdb Euler 136.29  40.23 158.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.712  0.254  0.316     95.541  4.92
   2      0.212  0.754  0.316     95.541  4.92
   3      0.706  0.255  0.310     95.186  4.86
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #33 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.188  0.124  0.641     81.554  4.60   0.0      2     93.633/    93.633
   2      0.716  0.750  0.314     81.270  4.84  11.6      2     95.078/    95.078
   3      0.712  0.254  0.316     80.360  4.92   8.4      4     95.541/    95.541

   SET #4 of 8 TRIAL #34 of 52
   ---------------------------
   Ensemble helix_pdb Euler 243.79  38.08 168.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #35 of 52
   ---------------------------
   Ensemble helix_pdb Euler 160.97  29.98 141.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.258  0.903  0.890     98.526  5.12
   2      0.758  0.403  0.890     98.526  5.12
   3      0.265  0.381  0.892     96.746  4.81
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #35 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.914  0.261  0.244     84.346  4.42   0.0      2     94.482/    94.482
   2      0.265  0.381  0.892     84.163  4.81  13.1      2     96.746/    96.746
   3      0.258  0.903  0.890     83.257  5.12  15.0      4     98.526/    98.526
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #36 of 52
   ---------------------------
   Ensemble helix_pdb Euler 350.92  26.21 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.782  0.012  0.296     94.869  4.62
   2      0.282  0.512  0.296     94.869  4.62
   3      0.806  0.484  0.538     94.457  4.55
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #36 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.282  0.512  0.296     82.227  4.62   0.0      2     94.869/    94.869
   2      0.806  0.484  0.538     78.998  4.55  17.0      4     94.457/    94.457

   SET #4 of 8 TRIAL #37 of 52
   ---------------------------
   Ensemble helix_pdb Euler 114.54  26.45 142.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.595  0.473  0.108     97.297  5.02
   2      0.095  0.973  0.108     97.297  5.02
   3      0.596  0.932  0.607     96.768  4.94
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #37 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.416  0.463  0.326     84.822  4.79   0.0      2     95.914/    95.914
   2      0.922  0.892  0.128     82.263  4.47  27.4      2     93.980/    93.980
   3      0.595  0.473  0.108     78.849  5.02  27.0      2     97.297/    97.297
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #38 of 52
   ---------------------------
   Ensemble helix_pdb Euler 114.47  38.85 151.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #39 of 52
   ---------------------------
   Ensemble helix_pdb Euler 286.88  23.04 169.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.432  0.204  0.395     94.885  5.14
   2      0.932  0.704  0.395     94.885  5.14

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #39 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.932  0.704  0.395     84.894  5.14   0.0      2     94.885/    94.885

   SET #4 of 8 TRIAL #40 of 52
   ---------------------------
   Ensemble helix_pdb Euler  72.90  36.76 146.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.477  0.698  0.411     97.276  5.11
   2      0.977  0.198  0.411     97.276  5.11

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #40 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.977  0.198  0.411     91.269  5.11   0.0      2     97.276/    97.276

   SET #4 of 8 TRIAL #41 of 52
   ---------------------------
   Ensemble helix_pdb Euler 276.54  23.49 171.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #42 of 52
   ---------------------------
   Ensemble helix_pdb Euler 179.38  35.69 151.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.547  0.177  0.838     93.546  4.43
   2      0.047  0.677  0.838     93.546  4.43

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #42 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.047  0.677  0.838     79.855  4.43   0.0      2     93.546/    93.546

   SET #4 of 8 TRIAL #43 of 52
   ---------------------------
   Ensemble helix_pdb Euler 226.10  28.67 167.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 20 sites over 67.5% of top
   20 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.345  0.348  0.597     99.182  5.07
   2      0.845  0.848  0.597     99.182  5.07
   3      0.718  0.400  0.603     95.205  4.39
   #Sites = 20: output truncated to 3 sites

   Top 20 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #43 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.203  0.331  0.557     78.564  4.38   0.0      2     95.128/    95.128
   2      0.243  0.412  0.154     77.963  4.39  28.2      2     95.154/    95.154
   3      0.718  0.400  0.603     77.758  4.39  15.9      2     95.205/    95.205
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #44 of 52
   ---------------------------
   Ensemble helix_pdb Euler  86.17  34.18 153.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.783  0.254  0.914     97.671  4.58
   2      0.283  0.754  0.914     97.671  4.58
   3      0.782  0.224  0.412     96.726  4.43
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #44 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.649  0.262  0.527     78.645  4.10   0.0      2     94.746/    94.746
   2      0.711  0.253  0.629     75.922  4.26   5.2      2     95.701/    95.701
   3      0.295  0.760  0.086     74.070  4.30  24.6      2     95.976/    95.976
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #45 of 52
   ---------------------------
   Ensemble helix_pdb Euler 351.88  21.68 148.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #46 of 52
   ---------------------------
   Ensemble helix_pdb Euler 316.81  32.12 167.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.366  0.986  0.955     94.840  4.49
   2      0.866  0.486  0.955     94.840  4.49

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #46 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.866  0.486  0.955     76.148  4.49   0.0      2     94.840/    94.840

   SET #4 of 8 TRIAL #47 of 52
   ---------------------------
   Ensemble helix_pdb Euler 133.57  27.81 141.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #48 of 52
   ---------------------------
   Ensemble helix_pdb Euler 219.01  39.25 165.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #49 of 52
   ---------------------------
   Ensemble helix_pdb Euler 168.78  39.95 163.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.248  0.194  0.442     94.212  5.02
   2      0.748  0.694  0.442     94.212  5.02
   3      0.249  0.604  0.119     93.022  4.81
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #49 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.248  0.194  0.442     85.788  5.02   0.0      2     94.212/    94.212
   2      0.249  0.604  0.119     84.405  4.81  22.8      2     93.022/    93.022

   SET #4 of 8 TRIAL #50 of 52
   ---------------------------
   Ensemble helix_pdb Euler 168.90  35.29 142.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.697  0.385  0.334     93.883  5.02
   2      0.197  0.885  0.334     93.883  5.02

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #50 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.697  0.385  0.334     81.763  5.02   0.0      2     93.883/    93.883

   SET #4 of 8 TRIAL #51 of 52
   ---------------------------
   Ensemble helix_pdb Euler  94.86  34.47 153.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.775  0.280  0.915     95.658  4.51
   2      0.275  0.780  0.915     95.658  4.51
   3      0.703  0.268  0.629     94.721  4.35
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #51 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.776  0.732  0.766     77.932  4.27   0.0      2     94.217/    94.217
   2      0.203  0.768  0.629     77.470  4.35  26.5      2     94.721/    94.721
   3      0.697  0.183  0.390     75.646  4.26  22.7      2     94.186/    94.186

   SET #4 of 8 TRIAL #52 of 52
   ---------------------------
   Ensemble helix_pdb Euler 152.55  30.04 150.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.248  0.861  0.882     98.345  4.85
   2      0.748  0.361  0.882     98.345  4.85
   3      0.732  0.456  0.446     98.342  4.85
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #52 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.248  0.861  0.882     82.129  4.85   0.0      4     98.345/    98.345
   2      0.232  0.956  0.446     79.247  4.85  26.9      4     98.342/    98.342
   3      0.264  0.883  0.563     76.242  4.74  21.3      2     97.670/    97.670
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

----------------------------
TRANSLATION FUNCTION #5 OF 8
----------------------------

   SOLU SET  RFZ=4.5 TFZ=3.7 PAK=0 LLG=58
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  326.8   35.2  137.6 FRAC  0.13 -0.05 -0.10 BFAC -9.63
   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   87.2 RFZ  4.26

   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   85.8 RFZ  4.10

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   84.4 RFZ  3.95

   SOLU TRIAL ENSEMBLE helix_pdb EULER   51.869   24.857  151.761 RF   84.4 RFZ  3.95

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   84.2 RFZ  3.92

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.535   25.925  148.923 RF   84.1 RFZ  3.92

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.424   24.033  161.846 RF   83.9 RFZ  3.90

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   83.8 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   83.6 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   83.6 RFZ  3.86

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   83.4 RFZ  3.84

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   83.2 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   83.2 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   83.0 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  299.940   24.570  165.557 RF   82.9 RFZ  3.79

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   82.8 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   82.8 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   82.3 RFZ  3.73

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   82.2 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   82.0 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   82.0 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   82.0 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   81.9 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   81.9 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   81.8 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   81.7 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   81.7 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   81.7 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   81.7 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   81.6 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   81.5 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   81.4 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   81.3 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   81.3 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   81.2 RFZ  3.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   81.2 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   81.1 RFZ  3.59 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   81.0 RFZ  3.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   81.0 RFZ  3.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   80.8 RFZ  3.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   80.7 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   80.6 RFZ  3.53 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   80.3 RFZ  3.51 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   80.3 RFZ  3.50 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   80.3 RFZ  3.50 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   80.2 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   80.2 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   80.1 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   80.1 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   80.0 RFZ  3.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   79.9 RFZ  3.46 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   79.8 RFZ  3.45 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   79.8 RFZ  3.45 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   79.7 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   79.7 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   79.7 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   79.6 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   79.5 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   79.2 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   79.2 RFZ  3.38 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   79.1 RFZ  3.38 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.203   35.142  161.594 RF   79.0 RFZ  3.37 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   79.0 RFZ  3.36 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   78.9 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   78.9 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   78.8 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   78.8 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   78.6 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   78.6 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   78.6 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   78.5 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   74.017   36.083  212.756 RF   78.5 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.649   35.266  161.001 RF   78.5 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.771   36.460  172.722 RF   78.3 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   78.3 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   78.2 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.388   40.196  156.612 RF   78.2 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.619   48.334  196.267 RF   78.2 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.844   29.075  162.258 RF   78.2 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   29.925   26.470  156.022 RF   78.2 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.732   40.369  165.315 RF   78.1 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   78.1 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   78.0 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   77.9 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  139.502   30.142  154.811 RF   77.9 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   77.9 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.166   59.074  160.520 RF   77.9 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   77.8 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   12.483   21.810  155.358 RF   77.7 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.302   50.743  192.838 RF   77.7 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  214.423   56.768  173.963 RF   77.7 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.853   49.425  194.168 RF   77.7 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   77.6 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   93.410   30.408  100.003 RF   77.6 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.105   29.162  138.969 RF   77.5 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.453   21.186  136.283 RF   77.5 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.306   29.978  154.977 RF   77.4 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   77.3 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  131.617   36.655  164.234 RF   77.3 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   88.596   14.547  113.772 RF   77.2 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   77.2 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  108.160   30.031  138.942 RF   77.2 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.387   20.578  161.440 RF   77.1 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.561   28.504  159.572 RF   77.1 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  353.579   30.665  168.047 RF   77.1 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.078   44.065  153.168 RF   77.1 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.705   28.038  181.965 RF   77.1 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.131   39.299  209.416 RF   77.1 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.087   47.928  196.726 RF   77.1 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.262   28.939  129.773 RF   77.0 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   38.861   16.401  156.062 RF   77.0 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.581   30.297  164.048 RF   77.0 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  210.850   39.450  164.662 RF   76.9 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.614   52.183  186.085 RF   76.9 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.791   30.761  150.363 RF   76.8 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   76.8 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.275   54.297  181.356 RF   76.8 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   43.782   37.374  212.340 RF   76.7 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   82.174   32.079  212.797 RF   76.6 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.227   45.283  158.453 RF   76.6 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  251.757   23.300  178.313 RF   76.5 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.303   26.896  133.601 RF   76.5 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.047   28.565  158.082 RF   76.5 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.257   30.048  168.017 RF   76.5 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  147.239   28.399  136.646 RF   76.5 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.526   31.131  133.953 RF   76.4 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.674   29.315  136.354 RF   76.4 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.279   27.013  139.028 RF   76.4 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.182   36.981  179.693 RF   76.4 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  218.966   34.600  185.712 RF   76.4 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.765   26.601  136.983 RF   76.3 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  177.081   30.634  164.104 RF   76.2 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  233.342   30.768  159.195 RF   76.2 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.683   28.520  158.446 RF   76.2 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   21.857   46.476  196.197 RF   76.2 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.278   40.307  158.593 RF   76.2 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.791   32.132  146.853 RF   76.2 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.560   45.317  156.800 RF   76.2 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.862   32.433  178.320 RF   76.2 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.760   41.761  152.978 RF   76.1 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.296   30.768  159.195 RF   76.1 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.743   34.377  143.791 RF   75.9 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  116.193   13.908   85.859 RF   75.9 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.350   24.444   96.617 RF   75.8 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.583   40.879  160.397 RF   75.7 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.820   38.127  146.797 RF   75.7 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  182.024   40.582  148.556 RF   75.6 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.460   21.314  150.409 RF   75.6 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.828   31.579  154.758 RF   75.5 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.749   32.036  139.851 RF   75.5 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.398   57.665  177.443 RF   75.5 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   25.214   19.891  151.386 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.974   29.645  155.250 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   14.334   23.518  135.651 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   49.289   33.293  141.902 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.308   53.759  154.829 RF   75.4 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  212.936   41.167  203.145 RF   75.4 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  201.232   44.691  195.382 RF   75.4 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.474   32.698  151.429 RF   75.4 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.664   30.768  159.195 RF   75.3 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.392   19.880  167.093 RF   75.3 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  186.873   43.841  170.156 RF   75.2 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.224   25.260  140.714 RF   75.2 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.500   39.817  171.071 RF   75.1 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  191.680   46.966  185.047 RF   75.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.483   42.272  158.790 RF   75.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  137.940   55.679  141.632 RF   75.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.414    5.368  211.612 RF   75.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  215.092   52.358  172.249 RF   75.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  235.914   22.908  223.669 RF   75.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.463   11.731  223.636 RF   75.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   17.831   18.414  140.969 RF   74.9 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  270.077   26.844  178.929 RF   74.9 RFZ  2.91 # DEEP

   This TF set has 173 trial orientations

   #    Euler                  Rot-LLG      RF     RFZ  Ensemble
   1     260.3   25.9  169.4      88.9    87.2     4.3 helix_pdb
   2      61.8   25.2  150.8      88.6    85.8     4.1 helix_pdb
   3     254.3   27.7  166.2      86.2    84.4     3.9 helix_pdb
   4      51.9   24.9  151.8      87.3    84.4     3.9 helix_pdb
   5     154.7   35.4  158.0      85.0    84.2     3.9 helix_pdb
   6      81.5   25.9  148.9      86.6    84.1     3.9 helix_pdb
   7     330.4   24.0  161.8      86.8    83.9     3.9 helix_pdb
   8     144.5   34.2  148.9      86.7    83.8     3.9 helix_pdb
   9      65.1   29.9  146.5      86.0    83.6     3.9 helix_pdb
   10    266.4   24.0  172.4      85.0    83.6     3.9 helix_pdb
   11     95.2   25.2  143.9      85.9    83.4     3.8 helix_pdb
   12     68.5   27.2  153.3      84.0    83.2     3.8 helix_pdb
   13    311.9   26.5  162.4      86.0    83.2     3.8 helix_pdb
   14    105.0   25.8  143.1      84.7    83.0     3.8 helix_pdb
   15    299.9   24.6  165.6      84.5    82.9     3.8 helix_pdb
   16    119.8   27.8  146.6      84.5    82.8     3.8 helix_pdb
   17    130.9   39.3  153.8      84.5    82.8     3.8 helix_pdb
   18    240.9   26.8  170.8      83.8    82.3     3.7 helix_pdb
   19    114.5   26.4  142.5      83.3    82.2     3.7 helix_pdb
   20    231.2   27.3  171.5      83.7    82.0     3.7 helix_pdb
   21    290.4   33.1  166.7      84.1    82.0     3.7 helix_pdb
   22     66.9   34.6  143.2      84.0    82.0     3.7 helix_pdb
   23     41.8   24.6  152.9      84.5    81.9     3.7 helix_pdb
   24    238.5   34.6  163.9      84.2    81.9     3.7 helix_pdb
   25    243.8   38.1  168.7      83.5    81.8     3.7 helix_pdb
   26    332.6   27.0  170.3      84.0    81.7     3.7 helix_pdb
   27     98.1   38.3  149.4      84.0    81.7     3.7 helix_pdb
   28      1.1   24.0  157.9      84.6    81.7     3.7 helix_pdb
   29    281.6   33.4  166.5      83.9    81.7     3.7 helix_pdb
   30    136.3   40.2  158.3      83.6    81.6     3.6 helix_pdb
   31    125.0   29.0  150.7      84.3    81.5     3.6 helix_pdb
   32    138.4   28.8  146.0      84.9    81.4     3.6 helix_pdb
   33     86.2   34.2  153.4      82.4    81.3     3.6 helix_pdb
   34    179.4   35.7  151.0      82.9    81.3     3.6 helix_pdb
   ----- angles below here for deep search only -----
   35    226.1   28.7  167.3      82.5    81.2     3.6 helix_pdb
   36     89.7   37.8  148.5      83.8    81.2     3.6 helix_pdb
   37    316.8   32.1  167.6      82.3    81.1     3.6 helix_pdb
   38    286.9   23.0  169.8      83.1    81.0     3.6 helix_pdb
   39    276.5   23.5  171.3      83.0    81.0     3.6 helix_pdb
   40    114.5   38.8  151.6      83.2    80.8     3.6 helix_pdb
   41     56.3   20.6  156.8      83.8    80.7     3.5 helix_pdb
   42    161.0   30.0  141.4      83.7    80.6     3.5 helix_pdb
   43    350.9   26.2  159.2      83.2    80.3     3.5 helix_pdb
   44     72.9   36.8  146.8      83.2    80.3     3.5 helix_pdb
   45    133.6   27.8  141.5      82.3    80.3     3.5 helix_pdb
   46    351.9   21.7  148.5      82.4    80.2     3.5 helix_pdb
   47    170.1   30.7  141.5      84.1    80.2     3.5 helix_pdb
   48    331.0   25.5  151.2      80.7    80.1     3.5 helix_pdb
   49     94.9   34.5  153.8      81.4    80.1     3.5 helix_pdb
   50    168.8   39.9  163.1      81.8    80.0     3.5 helix_pdb
   51    246.3   25.1  174.6      81.3    79.9     3.5 helix_pdb
   52     10.7   27.0  148.4      81.0    79.8     3.5 helix_pdb
   53    217.5   27.2  176.3      81.1    79.8     3.5 helix_pdb
   54    248.3   29.3  162.7      80.3    79.7     3.4 helix_pdb
   55    219.0   39.2  165.8      82.0    79.7     3.4 helix_pdb
   56    168.9   35.3  142.5      81.6    79.7     3.4 helix_pdb
   57    296.4   20.6  159.3      81.0    79.6     3.4 helix_pdb
   58    152.6   30.0  150.4      81.4    79.5     3.4 helix_pdb
   59    322.8   28.6  160.3      81.1    79.2     3.4 helix_pdb
   60     30.4   24.9  165.3      79.8    79.2     3.4 helix_pdb
   61    232.6   37.5  171.1      81.3    79.1     3.4 helix_pdb
   62    204.2   35.1  161.6      80.6    79.0     3.4 helix_pdb
   63    260.3   37.3  170.7      80.7    79.0     3.4 helix_pdb
   64    285.3   35.8  173.3      80.9    78.9     3.4 helix_pdb
   65    188.5   36.1  151.9      79.9    78.9     3.3 helix_pdb
   66    335.6   60.2  153.7      79.4    78.8     3.3 helix_pdb
   67     27.1   27.8  147.5      80.2    78.8     3.3 helix_pdb
   68    163.6   40.0  158.2      81.0    78.6     3.3 helix_pdb
   69    221.3   35.0  162.8      80.7    78.6     3.3 helix_pdb
   70    155.4   40.0  157.0      81.1    78.6     3.3 helix_pdb
   71    302.5   34.5  174.6      80.3    78.5     3.3 helix_pdb
   72     74.0   36.1  212.8      79.0    78.5     3.3 helix_pdb
   73    195.6   35.3  161.0      79.4    78.5     3.3 helix_pdb
   74    276.8   36.5  172.7      80.2    78.3     3.3 helix_pdb
   75    248.5   40.7  162.8      81.0    78.3     3.3 helix_pdb
   76    174.8   35.2  168.2      80.1    78.2     3.3 helix_pdb
   77    183.4   40.2  156.6      80.6    78.2     3.3 helix_pdb
   78    242.6   48.3  196.3      79.6    78.2     3.3 helix_pdb
   79    266.8   29.1  162.3      79.2    78.2     3.3 helix_pdb
   80     29.9   26.5  156.0      79.7    78.2     3.3 helix_pdb
   81    264.7   40.4  165.3      78.8    78.1     3.3 helix_pdb
   82    165.5   35.6  167.6      80.4    78.1     3.3 helix_pdb
   83    352.1   21.6  169.2      79.3    78.0     3.2 helix_pdb
   84    224.3   30.8  179.4      79.5    77.9     3.2 helix_pdb
   85    139.5   30.1  154.8      78.1    77.9     3.2 helix_pdb
   86     60.8   26.6  129.6      80.1    77.9     3.2 helix_pdb
   87    204.2   59.1  160.5      79.1    77.9     3.2 helix_pdb
   88     42.6   32.8  151.2      78.4    77.8     3.2 helix_pdb
   89     12.5   21.8  155.4      80.0    77.7     3.2 helix_pdb
   90    194.3   50.7  192.8      78.9    77.7     3.2 helix_pdb
   91    214.4   56.8  174.0      77.5    77.7     3.2 helix_pdb
   92     55.9   49.4  194.2      79.0    77.7     3.2 helix_pdb
   93     10.9   21.0  165.8      78.5    77.6     3.2 helix_pdb
   94     93.4   30.4  100.0      78.6    77.6     3.2 helix_pdb
   95     99.1   29.2  139.0      78.9    77.5     3.2 helix_pdb
   96     84.5   21.2  136.3      78.8    77.5     3.2 helix_pdb
   97    130.3   30.0  155.0      77.6    77.4     3.2 helix_pdb
   98    207.9   27.9  176.7      78.8    77.3     3.2 helix_pdb
   99    131.6   36.7  164.2      76.4    77.3     3.2 helix_pdb
   100    88.6   14.5  113.8      77.5    77.2     3.2 helix_pdb
   101    35.0   58.5  174.9      78.2    77.2     3.2 helix_pdb
   102   108.2   30.0  138.9      79.0    77.2     3.2 helix_pdb
   103   285.4   20.6  161.4      77.2    77.1     3.2 helix_pdb
   104   341.6   28.5  159.6      78.1    77.1     3.2 helix_pdb
   105   353.6   30.7  168.0      77.0    77.1     3.2 helix_pdb
   106   140.1   44.1  153.2      78.7    77.1     3.2 helix_pdb
   107   304.7   28.0  182.0      79.7    77.1     3.2 helix_pdb
   108    37.1   39.3  209.4      77.5    77.1     3.1 helix_pdb
   109    63.1   47.9  196.7      78.4    77.1     3.1 helix_pdb
   110    79.3   28.9  129.8      80.2    77.0     3.1 helix_pdb
   111    38.9   16.4  156.1      78.1    77.0     3.1 helix_pdb
   112   192.6   30.3  164.0      75.3    77.0     3.1 helix_pdb
   113   210.9   39.5  164.7      79.5    76.9     3.1 helix_pdb
   114   232.6   52.2  186.1      79.0    76.9     3.1 helix_pdb
   115   170.8   30.8  150.4      78.8    76.8     3.1 helix_pdb
   116   207.4   29.4  167.8      77.1    76.8     3.1 helix_pdb
   117   227.3   54.3  181.4      78.4    76.8     3.1 helix_pdb
   118    43.8   37.4  212.3      77.5    76.7     3.1 helix_pdb
   119    82.2   32.1  212.8      77.3    76.6     3.1 helix_pdb
   120   206.2   45.3  158.5      77.6    76.6     3.1 helix_pdb
   121   251.8   23.3  178.3      78.4    76.5     3.1 helix_pdb
   122    47.3   26.9  133.6      78.9    76.5     3.1 helix_pdb
   123    19.0   28.6  158.1      75.9    76.5     3.1 helix_pdb
   124     9.3   30.0  168.0      76.4    76.5     3.1 helix_pdb
   125   147.2   28.4  136.6      77.8    76.5     3.1 helix_pdb
   126    84.5   31.1  134.0      79.3    76.4     3.1 helix_pdb
   127   156.7   29.3  136.4      77.4    76.4     3.1 helix_pdb
   128    31.3   27.0  139.0      78.6    76.4     3.1 helix_pdb
   129   206.2   37.0  179.7      78.1    76.4     3.1 helix_pdb
   130   219.0   34.6  185.7      78.1    76.4     3.1 helix_pdb
   131   128.8   26.6  137.0      78.2    76.3     3.1 helix_pdb
   132   177.1   30.6  164.1      73.4    76.2     3.1 helix_pdb
   133   233.3   30.8  159.2      73.7    76.2     3.1 helix_pdb
   134     9.7   28.5  158.4      75.8    76.2     3.1 helix_pdb
   135    21.9   46.5  196.2      77.8    76.2     3.1 helix_pdb
   136   197.3   40.3  158.6      79.0    76.2     3.1 helix_pdb
   137   194.8   32.1  146.9      77.6    76.2     3.1 helix_pdb
   138   197.6   45.3  156.8      77.5    76.2     3.0 helix_pdb
   139   206.9   32.4  178.3      77.4    76.2     3.0 helix_pdb
   140   209.8   41.8  153.0      77.8    76.1     3.0 helix_pdb
   141   224.3   30.8  159.2      73.8    76.1     3.0 helix_pdb
   142    37.7   34.4  143.8      77.1    75.9     3.0 helix_pdb
   143   116.2   13.9   85.9      76.1    75.9     3.0 helix_pdb
   144   300.4   24.4   96.6      77.6    75.8     3.0 helix_pdb
   145   125.6   40.9  160.4      76.9    75.7     3.0 helix_pdb
   146   136.8   38.1  146.8      77.7    75.7     3.0 helix_pdb
   147   182.0   40.6  148.6      78.0    75.6     3.0 helix_pdb
   148    89.5   21.3  150.4      76.9    75.6     3.0 helix_pdb
   149   209.8   31.6  154.8      72.5    75.5     3.0 helix_pdb
   150   239.7   32.0  139.9      76.1    75.5     3.0 helix_pdb
   151    42.4   57.7  177.4      76.8    75.5     3.0 helix_pdb
   152    25.2   19.9  151.4      77.4    75.4     3.0 helix_pdb
   153   112.0   29.6  155.3      75.6    75.4     3.0 helix_pdb
   154    14.3   23.5  135.7      77.6    75.4     3.0 helix_pdb
   155    49.3   33.3  141.9      76.8    75.4     3.0 helix_pdb
   156   156.3   53.8  154.8      75.5    75.4     3.0 helix_pdb
   157   212.9   41.2  203.1      76.7    75.4     3.0 helix_pdb
   158   201.2   44.7  195.4      75.9    75.4     3.0 helix_pdb
   159   221.5   32.7  151.4      73.2    75.4     3.0 helix_pdb
   160   296.7   30.8  159.2      73.1    75.3     3.0 helix_pdb
   161   316.4   19.9  167.1      75.9    75.3     3.0 helix_pdb
   162   186.9   43.8  170.2      76.3    75.2     2.9 helix_pdb
   163    52.2   25.3  140.7      77.3    75.2     2.9 helix_pdb
   164   174.5   39.8  171.1      77.1    75.1     2.9 helix_pdb
   165   191.7   47.0  185.0      75.9    75.1     2.9 helix_pdb
   166   242.5   42.3  158.8      77.0    75.1     2.9 helix_pdb
   167   137.9   55.7  141.6      76.7    75.1     2.9 helix_pdb
   168   101.4    5.4  211.6      76.2    75.0     2.9 helix_pdb
   169   215.1   52.4  172.2      74.1    75.0     2.9 helix_pdb
   170   235.9   22.9  223.7      76.1    75.0     2.9 helix_pdb
   171    72.5   11.7  223.6      75.9    75.0     2.9 helix_pdb
   172    17.8   18.4  141.0      76.3    74.9     2.9 helix_pdb
   173   270.1   26.8  178.9      76.3    74.9     2.9 helix_pdb
      34 trial orientations in initial search
      139 trial orientations in deep search

   Scoring 519 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #5 of 8
   0%       100%
   |=========| DONE

   Mean Score (Sigma):       35.91   ( 9.92)

   SET #5 of 8 TRIAL #1 of 34
   --------------------------
   Ensemble helix_pdb Euler 260.25  25.95 169.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 48 sites over 67.5% of top
   48 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.756  0.033  0.430     99.359  4.54
   2      0.256  0.533  0.430     99.359  4.54
   3      0.580  0.284  0.936     98.845  4.45
   #Sites = 48: output truncated to 3 sites

   Top 48 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #1 of 34
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 15 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.884  0.610  0.813     88.362  4.07   0.0      2     96.542/    96.542
   2      0.106  0.459  0.213     84.825  3.97   4.3      4     95.940/    98.018
   3      0.177  0.927  0.096     83.565  4.00  12.8      4     96.133/    96.133
   #SITES = 15: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #2 of 34
   --------------------------
   Ensemble helix_pdb Euler  61.81  25.19 150.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 40 sites over 67.5% of top
   40 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.616  0.545  0.037     98.481  4.40
   2      0.116  0.045  0.037     98.481  4.40
   3      0.814  0.948  0.063     98.323  4.37
   #Sites = 40: output truncated to 3 sites

   Top 40 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #2 of 34
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 15 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.394  0.774  0.981     83.443  4.01   0.0      2     96.146/    96.146
   2      0.894  0.124  0.945     81.986  4.30  45.5      2     97.885/    97.885
   3      0.085  0.900  0.614     81.334  3.86  22.5      2     95.233/    95.233
   #SITES = 15: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #3 of 34
   --------------------------
   Ensemble helix_pdb Euler 254.25  27.73 166.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 34 sites over 67.5% of top
   34 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.605  0.026  0.764     99.429  4.72
   2      0.105  0.526  0.764     99.429  4.72
   3      0.603  0.024  0.759     98.520  4.57
   #Sites = 34: output truncated to 3 sites

   Top 34 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #3 of 34
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.603  0.024  0.759     89.020  4.57   0.0      4     98.520/    99.429
   2      0.841  0.997  0.347     78.677  4.33  28.6      2     97.081/    97.081
   3      0.703  0.094  0.998     78.172  4.06  11.7      4     95.382/    97.021
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #4 of 34
   --------------------------
   Ensemble helix_pdb Euler  51.87  24.86 151.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 22 sites over 67.5% of top
   22 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.359  0.896  0.172     96.715  4.47
   2      0.859  0.396  0.172     96.715  4.47
   3      0.360  0.368  0.173     96.596  4.45
   #Sites = 22: output truncated to 3 sites

   Top 22 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #4 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.586  0.362  0.605     86.051  4.22   0.0      4     95.239/    95.288
   2      0.860  0.868  0.173     80.376  4.45  30.0      2     96.596/    96.596
   3      0.105  0.954  0.156     79.144  4.26  24.1      2     95.496/    95.496
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #5 of 34
   --------------------------
   Ensemble helix_pdb Euler 154.74  35.36 158.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 58 sites over 67.5% of top
   58 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.663  0.939  0.154     101.45  5.02
   2      0.163  0.439  0.154     101.45  5.02
   3      0.282  0.862  0.236     100.73  4.90
   #Sites = 58: output truncated to 3 sites

   Top 58 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #5 of 34
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 17 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.989  0.891  0.624     84.062  4.42   0.0      4     97.768/    97.768
   2      0.163  0.439  0.154     82.541  5.02  27.6      4    101.446/   101.446
   3      0.690  0.390  0.707     81.721  4.53  33.5      4     98.437/    98.437
   #SITES = 17: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #6 of 34
   --------------------------
   Ensemble helix_pdb Euler  81.53  25.92 148.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 30 sites over 67.5% of top
   30 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.797  0.019  0.066     99.396  4.84
   2      0.297  0.519  0.066     99.396  4.84
   3      0.598  0.601  0.041     98.228  4.65
   #Sites = 30: output truncated to 3 sites

   Top 30 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #6 of 34
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.797  0.019  0.066     87.786  4.84   0.0      4     99.396/    99.396
   2      0.875  0.178  0.942     83.987  4.25  14.2      2     95.826/    95.826
   3      0.692  0.123  0.272     81.736  4.06  20.8      4     94.650/    96.199
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #7 of 34
   --------------------------
   Ensemble helix_pdb Euler 330.42  24.03 161.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.849  0.562  0.154     96.796  4.72
   2      0.349  0.062  0.154     96.796  4.72
   3      0.692  0.076  0.457     96.331  4.64
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #7 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.192  0.576  0.457     79.595  4.64   0.0      2     96.331/    96.331
   2      0.849  0.562  0.154     78.542  4.72  24.3      2     96.796/    96.796
   3      0.585  0.047  0.235     75.367  4.27  20.3      2     94.085/    94.085
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #8 of 34
   --------------------------
   Ensemble helix_pdb Euler 144.54  34.20 148.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 30 sites over 67.5% of top
   30 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.718  0.554  0.380     98.631  4.74
   2      0.218  0.054  0.380     98.631  4.74
   3      0.282  0.097  0.183     97.944  4.63
   #Sites = 30: output truncated to 3 sites

   Top 30 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #8 of 34
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.008  0.943  0.618     86.031  4.55   0.0      2     97.450/    97.450
   2      0.757  0.913  0.794     82.769  4.21  31.6      4     95.328/    95.328
   3      0.218  0.054  0.380     78.613  4.74  21.2      2     98.631/    98.631
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #9 of 34
   --------------------------
   Ensemble helix_pdb Euler  65.08  29.91 146.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.350  0.991  0.162     97.324  4.68
   2      0.850  0.491  0.162     97.324  4.68
   3      0.583  0.358  0.614     96.807  4.60
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #9 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.583  0.358  0.614     87.484  4.60   0.0      2     96.807/    96.807
   2      0.920  0.034  0.738     86.885  4.28  27.8      2     94.921/    94.921
   3      0.808  0.882  0.052     84.950  4.58  24.2      2     96.704/    96.704
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #10 of 34
   ---------------------------
   Ensemble helix_pdb Euler 266.43  24.03 172.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.632  0.927  0.226     97.255  5.02
   2      0.132  0.427  0.226     97.255  5.02
   3      0.627  0.927  0.218     95.180  4.67
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #10 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.627  0.927  0.218     87.661  4.67   0.0      4     95.180/    97.255
   2      0.088  0.942  0.106     75.010  4.45  32.8      2     93.897/    93.897

   SET #5 of 8 TRIAL #11 of 34
   ---------------------------
   Ensemble helix_pdb Euler  95.22  25.15 143.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.751  0.203  0.159     97.120  4.73
   2      0.251  0.703  0.159     97.120  4.73
   3      0.422  0.111  0.722     95.970  4.54
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #11 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.751  0.203  0.159     83.430  4.73   0.0      4     97.120/    97.120
   2      0.422  0.111  0.722     75.779  4.54  21.8      4     95.970/    95.970

   SET #5 of 8 TRIAL #12 of 34
   ---------------------------
   Ensemble helix_pdb Euler  68.53  27.20 153.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 46 sites over 67.5% of top
   46 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.794  0.966  0.058     102.17  5.19
   2      0.294  0.466  0.058     102.17  5.19
   3      0.352  0.521  0.915      98.56  4.60
   #Sites = 46: output truncated to 3 sites

   Top 46 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #12 of 34
   0%  100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.794  0.966  0.058     84.597  5.19   0.0      2     102.17/    102.17
   2      0.874  0.295  0.976     81.827  4.15  13.9      2      95.76/     95.76
   3      0.787  0.480  0.720     77.074  4.21  24.0      2      96.15/     96.15
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #13 of 34
   ---------------------------
   Ensemble helix_pdb Euler 311.90  26.45 162.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 36 sites over 67.5% of top
   36 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.809  0.583  0.330     100.37  5.03
   2      0.309  0.083  0.330     100.37  5.03
   3      0.638  0.484  0.885      98.94  4.79
   #Sites = 36: output truncated to 3 sites

   Top 36 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #13 of 34
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 14 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.890  0.690  0.716     84.992  4.41   0.0      2     96.551/    96.551
   2      0.274  0.962  0.024     83.791  4.22  28.0      2     95.420/    95.420
   3      0.337  0.575  0.557     82.386  4.33  16.7      4     96.080/    96.080
   #SITES = 14: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #14 of 34
   ---------------------------
   Ensemble helix_pdb Euler 105.00  25.77 143.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.796  0.318  0.443     96.605  4.70
   2      0.296  0.818  0.443     96.605  4.70
   3      0.607  0.203  0.606     96.046  4.61
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #14 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.832  0.081  0.188     85.509  4.48   0.0      2     95.266/    95.266
   2      0.787  0.597  0.072     82.422  4.49  12.8      2     95.357/    95.357
   3      0.796  0.318  0.443     80.012  4.70  19.3      2     96.605/    96.605
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #15 of 34
   ---------------------------
   Ensemble helix_pdb Euler 299.94  24.57 165.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.685  0.449  0.001     94.401  4.57
   2      0.185  0.949  0.001     94.401  4.57

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #15 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.685  0.449  0.001     84.073  4.57   0.0      2     94.401/    94.401

   SET #5 of 8 TRIAL #16 of 34
   ---------------------------
   Ensemble helix_pdb Euler 119.80  27.80 146.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 26 sites over 67.5% of top
   26 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.302  0.568  0.185     102.12  5.43
   2      0.802  0.068  0.185     102.12  5.43
   3      0.316  0.735  0.932      99.12  4.93
   #Sites = 26: output truncated to 3 sites

   Top 26 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #16 of 34
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.302  0.568  0.185     90.049  5.43   0.0      2     102.12/    102.12
   2      0.612  0.294  0.999     80.048  4.59  19.0      4      97.06/     97.06
   3      0.756  0.084  0.077     79.724  4.15  18.0      2      94.42/     94.42
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #17 of 34
   ---------------------------
   Ensemble helix_pdb Euler 130.85  39.28 153.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.743  0.891  0.251     95.049  4.86
   2      0.243  0.391  0.251     95.049  4.86
   3      0.701  0.871  0.143     93.933  4.67
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #17 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.743  0.891  0.251     82.954  4.86   0.0      2     95.049/    95.049
   2      0.701  0.871  0.143     79.546  4.67   5.3      2     93.933/    93.933
   3      0.177  0.899  0.587     76.589  4.57   7.9      2     93.336/    93.336
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #18 of 34
   ---------------------------
   Ensemble helix_pdb Euler 240.92  26.84 170.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.700  0.057  0.996     97.931  5.04
   2      0.200  0.557  0.996     97.931  5.04
   3      0.703  0.061  0.002     97.621  4.99
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #18 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.361  0.132  0.805     87.541  4.61   0.0      2     95.430/    95.430
   2      0.753  0.081  0.096     83.939  4.70  15.4      2     95.932/    95.932
   3      0.200  0.557  0.996     83.371  5.04  26.6      4     97.931/    97.931

   SET #5 of 8 TRIAL #19 of 34
   ---------------------------
   Ensemble helix_pdb Euler 114.54  26.45 142.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.322  0.593  0.188     97.558  4.99
   2      0.822  0.093  0.188     97.558  4.99
   3      0.632  0.319  0.003     95.855  4.70
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #19 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.822  0.093  0.188     90.708  4.99   0.0      2     97.558/    97.558
   2      0.632  0.319  0.003     80.134  4.70  14.4      2     95.855/    95.855
   3      0.284  0.834  0.443     78.230  4.46  31.3      2     94.445/    94.445

   SET #5 of 8 TRIAL #20 of 34
   ---------------------------
   Ensemble helix_pdb Euler 231.17  27.28 171.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.688  0.065  0.993     100.48  5.39
   2      0.188  0.565  0.993     100.48  5.39
   3      0.616  0.516  0.527      95.12  4.46
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #20 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.688  0.065  0.993     86.576  5.39   0.0      2     100.48/    100.48
   2      0.347  0.143  0.794     83.257  4.44  25.4      2      95.02/     95.02
   3      0.616  0.516  0.527     78.087  4.46  28.0      2      95.12/     95.12

   SET #5 of 8 TRIAL #21 of 34
   ---------------------------
   Ensemble helix_pdb Euler 290.39  33.10 166.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.321  0.177  0.883     95.814  4.60
   2      0.821  0.677  0.883     95.814  4.60
   3      0.325  0.176  0.890     94.319  4.35
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #21 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.321  0.177  0.883     77.779  4.60   0.0      4     95.814/    95.814

   SET #5 of 8 TRIAL #22 of 34
   ---------------------------
   Ensemble helix_pdb Euler  66.88  34.65 143.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #23 of 34
   ---------------------------
   Ensemble helix_pdb Euler  41.80  24.60 152.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.366  0.324  0.170     95.647  4.83
   2      0.866  0.824  0.170     95.647  4.83
   3      0.707  0.337  0.973     95.560  4.81
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #23 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.770  0.465  0.257     82.532  4.77   0.0      4     95.286/    95.286
   2      0.866  0.824  0.170     81.097  4.83  15.7      2     95.647/    95.647
   3      0.707  0.337  0.973     78.866  4.81  15.3      2     95.560/    95.560
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #24 of 34
   ---------------------------
   Ensemble helix_pdb Euler 238.45  34.59 163.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.711  0.673  0.512     96.542  4.78
   2      0.211  0.173  0.512     96.542  4.78
   3      0.679  0.685  0.179     96.476  4.77
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #24 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.684  0.201  0.297     79.934  4.37   0.0      4     94.101/    94.922
   2      0.715  0.677  0.521     78.370  4.59  16.9      4     95.405/    96.542
   3      0.484  0.447  0.459     75.519  4.59  27.0      2     95.399/    95.399
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #25 of 34
   ---------------------------
   Ensemble helix_pdb Euler 243.79  38.08 168.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #26 of 34
   ---------------------------
   Ensemble helix_pdb Euler 332.57  27.01 170.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.513  0.645  0.227     93.909  4.60
   2      0.013  0.145  0.227     93.909  4.60

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #26 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.013  0.145  0.227     77.975  4.60   0.0      2     93.909/    93.909

   SET #5 of 8 TRIAL #27 of 34
   ---------------------------
   Ensemble helix_pdb Euler  98.11  38.34 149.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.728  0.827  0.135     95.616  4.98
   2      0.228  0.327  0.135     95.616  4.98

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #27 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.228  0.327  0.135     86.939  4.98   0.0      2     95.616/    95.616

   SET #5 of 8 TRIAL #28 of 34
   ---------------------------
   Ensemble helix_pdb Euler   1.14  23.98 157.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.823  0.668  0.047     93.658  4.65
   2      0.323  0.168  0.047     93.658  4.65

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #28 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.823  0.668  0.047     76.356  4.65   0.0      2     93.658/    93.658

   SET #5 of 8 TRIAL #29 of 34
   ---------------------------
   Ensemble helix_pdb Euler 281.57  33.45 166.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.305  0.136  0.646     97.015  4.87
   2      0.805  0.636  0.646     97.015  4.87

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #29 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.805  0.636  0.646     73.317  4.87   0.0      2     97.015/    97.015

   SET #5 of 8 TRIAL #30 of 34
   ---------------------------
   Ensemble helix_pdb Euler 136.29  40.23 158.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.732  0.849  0.250     94.802  4.79
   2      0.232  0.349  0.250     94.802  4.79

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #30 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.732  0.849  0.250     81.115  4.79   0.0      2     94.802/    94.802

   SET #5 of 8 TRIAL #31 of 34
   ---------------------------
   Ensemble helix_pdb Euler 125.04  28.98 150.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 36 sites over 67.5% of top
   36 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.545  0.649  0.549     98.984  4.77
   2      0.045  0.149  0.549     98.984  4.77
   3      0.735  0.733  0.379     97.812  4.58
   #Sites = 36: output truncated to 3 sites

   Top 36 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #31 of 34
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 12 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.735  0.733  0.379     79.032  4.58   0.0      2     97.812/    97.812
   2      0.274  0.021  0.372     76.933  4.16  17.7      4     95.186/    95.733
   3      0.554  0.254  0.889     76.094  4.17  23.3      2     95.272/    95.272
   #SITES = 12: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #32 of 34
   ---------------------------
   Ensemble helix_pdb Euler 138.41  28.85 146.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.283  0.555  0.194     98.641  5.04
   2      0.783  0.055  0.194     98.641  5.04
   3      0.407  0.597  0.176     95.884  4.57
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #32 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.283  0.555  0.194     84.121  5.04   0.0      2     98.641/    98.641
   2      0.002  0.831  0.784     81.331  4.51  22.8      2     95.474/    95.474
   3      0.907  0.097  0.176     80.321  4.57  21.1      2     95.884/    95.884
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #33 of 34
   ---------------------------
   Ensemble helix_pdb Euler  86.17  34.18 153.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 28 sites over 67.5% of top
   28 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.791  0.926  0.580     103.19  5.48
   2      0.291  0.426  0.580     103.19  5.48
   3      0.757  0.456  0.352     102.08  5.29
   #Sites = 28: output truncated to 3 sites

   Top 28 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #33 of 34
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.291  0.426  0.580     87.298  5.48   0.0      4     103.19/    103.19
   2      0.321  0.432  0.371     79.675  4.16  15.2      2      95.23/     95.23
   3      0.760  0.489  0.040     79.457  5.09  27.5      4     100.85/    101.28
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #34 of 34
   ---------------------------
   Ensemble helix_pdb Euler 179.38  35.69 151.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.704  0.505  0.389     93.643  4.47
   2      0.204  0.005  0.389     93.643  4.47

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #34 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.704  0.505  0.389     69.193  4.47   0.0      2     93.643/    93.643

----------------------------
TRANSLATION FUNCTION #6 OF 8
----------------------------

   SOLU SET  RFZ=4.6 TFZ=3.4 PAK=0 LLG=58
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  124.5   28.2  182.8 FRAC -0.17 -0.02 -0.49 BFAC -9.05
   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   85.3 RFZ  4.07

   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   85.2 RFZ  4.05

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.424   24.033  161.846 RF   84.4 RFZ  3.96

   SOLU TRIAL ENSEMBLE helix_pdb EULER   51.869   24.857  151.761 RF   84.2 RFZ  3.94

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.535   25.925  148.923 RF   84.2 RFZ  3.94

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   83.9 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   83.6 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   83.4 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   83.2 RFZ  3.83

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   83.1 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   83.0 RFZ  3.81

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.201   26.601  163.128 RF   82.6 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   82.6 RFZ  3.76

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   82.5 RFZ  3.75

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   82.2 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   82.2 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   82.1 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   82.1 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   81.8 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   81.7 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   81.5 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   81.4 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   81.3 RFZ  3.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   81.2 RFZ  3.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   81.1 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   81.1 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   80.9 RFZ  3.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   80.8 RFZ  3.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   80.7 RFZ  3.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   80.7 RFZ  3.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   80.7 RFZ  3.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   80.7 RFZ  3.55 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   80.5 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   80.5 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   80.5 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   80.4 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   80.4 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   80.3 RFZ  3.51 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   80.3 RFZ  3.51 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   80.2 RFZ  3.50 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   80.1 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   80.1 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   80.0 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   79.7 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   79.7 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   79.7 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   79.7 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   79.5 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   79.1 RFZ  3.37 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   79.0 RFZ  3.37 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   78.9 RFZ  3.36 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   78.9 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   78.9 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   78.8 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   78.7 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   78.6 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   78.6 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   78.5 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   78.5 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   29.925   26.470  156.022 RF   78.5 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   78.3 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   78.3 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   74.017   36.083  212.756 RF   78.3 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   78.0 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   78.0 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.853   49.425  194.168 RF   77.9 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   77.9 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   77.8 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.844   29.075  162.258 RF   77.8 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   77.7 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   77.7 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   77.7 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   77.6 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.203   35.142  161.594 RF   77.5 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.561   28.504  159.572 RF   77.4 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.388   40.196  156.612 RF   77.4 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.087   47.928  196.726 RF   77.4 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.683   28.520  158.446 RF   77.4 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.047   28.565  158.082 RF   77.2 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   77.1 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   82.174   32.079  212.797 RF   77.0 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   76.9 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   76.9 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   76.9 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.262   28.939  129.773 RF   76.9 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.398   57.665  177.443 RF   76.8 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.131   39.299  209.416 RF   76.8 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   21.857   46.476  196.197 RF   76.7 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   76.7 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   76.7 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   76.7 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   76.7 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.619   48.334  196.267 RF   76.7 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  108.160   30.031  138.942 RF   76.7 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.649   35.266  161.001 RF   76.6 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.791   30.761  150.363 RF   76.6 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.771   36.460  172.722 RF   76.6 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.296   30.768  159.195 RF   76.4 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   76.4 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  139.502   30.142  154.811 RF   76.3 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   12.483   21.810  155.358 RF   76.3 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.105   29.162  138.969 RF   76.3 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.581   30.297  164.048 RF   76.2 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  147.239   28.399  136.646 RF   76.2 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   76.2 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   76.1 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.279   27.013  139.028 RF   76.1 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.110   30.878  154.447 RF   76.0 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  214.423   56.768  173.963 RF   76.0 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  233.342   30.768  159.195 RF   76.0 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.791   32.132  146.853 RF   76.0 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.560   45.317  156.800 RF   75.9 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   93.410   30.408  100.003 RF   75.9 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.828   31.579  154.758 RF   75.9 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.306   29.978  154.977 RF   75.8 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.341   42.998  110.954 RF   75.8 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.765   26.601  136.983 RF   75.8 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  131.617   36.655  164.234 RF   75.7 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.453   21.186  136.283 RF   75.6 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.182   36.981  179.693 RF   75.6 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  210.850   39.450  164.662 RF   75.6 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.674   29.315  136.354 RF   75.6 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.303   26.896  133.601 RF   75.5 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.732   40.369  165.315 RF   75.5 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.227   45.283  158.453 RF   75.5 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.526   31.131  133.953 RF   75.5 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.974   29.645  155.250 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  251.757   23.300  178.313 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   88.596   14.547  113.772 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.463   11.731  223.636 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  306.520   14.352   74.543 RF   75.3 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.387   20.578  161.440 RF   75.3 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.350   24.444   96.617 RF   75.3 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  353.579   30.665  168.047 RF   75.3 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   38.861   16.401  156.062 RF   75.3 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.302   50.743  192.838 RF   75.2 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.705   28.038  181.965 RF   75.2 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.749   32.036  139.851 RF   75.2 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  177.081   30.634  164.104 RF   75.2 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.257   30.048  168.017 RF   75.2 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.724   13.530   93.504 RF   75.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.278   40.307  158.593 RF   75.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.078   44.065  153.168 RF   75.1 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.760   41.761  152.978 RF   75.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.414    5.368  211.612 RF   75.0 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.862   32.433  178.320 RF   75.0 RFZ  2.92 # DEEP

   This TF set has 147 trial orientations

   #    Euler                  Rot-LLG      RF     RFZ  Ensemble
   1     260.3   25.9  169.4      87.6    85.3     4.1 helix_pdb
   2      61.8   25.2  150.8      85.9    85.2     4.0 helix_pdb
   3     330.4   24.0  161.8      84.0    84.4     4.0 helix_pdb
   4      51.9   24.9  151.8      84.4    84.2     3.9 helix_pdb
   5      81.5   25.9  148.9      84.2    84.2     3.9 helix_pdb
   6     154.7   35.4  158.0      84.2    83.9     3.9 helix_pdb
   7      95.2   25.2  143.9      83.4    83.6     3.9 helix_pdb
   8     105.0   25.8  143.1      83.1    83.4     3.8 helix_pdb
   9     144.5   34.2  148.9      83.8    83.2     3.8 helix_pdb
   10    311.9   26.5  162.4      83.2    83.1     3.8 helix_pdb
   11    254.3   27.7  166.2      84.5    83.0     3.8 helix_pdb
   12    302.2   26.6  163.1      82.8    82.6     3.8 helix_pdb
   13    130.9   39.3  153.8      82.9    82.6     3.8 helix_pdb
   14    266.4   24.0  172.4      83.9    82.5     3.8 helix_pdb
   15     68.5   27.2  153.3      83.2    82.2     3.7 helix_pdb
   16    114.5   26.4  142.5      82.3    82.2     3.7 helix_pdb
   17     41.8   24.6  152.9      81.9    82.1     3.7 helix_pdb
   18    119.8   27.8  146.6      83.0    82.1     3.7 helix_pdb
   19    138.4   28.8  146.0      81.6    81.8     3.7 helix_pdb
   20     98.1   38.3  149.4      82.0    81.7     3.7 helix_pdb
   21     65.1   29.9  146.5      83.7    81.5     3.6 helix_pdb
   22    136.3   40.2  158.3      81.8    81.4     3.6 helix_pdb
   ----- angles below here for deep search only -----
   23    114.5   38.8  151.6      80.9    81.3     3.6 helix_pdb
   24    243.8   38.1  168.7      81.9    81.2     3.6 helix_pdb
   25    332.6   27.0  170.3      81.9    81.1     3.6 helix_pdb
   26    125.0   29.0  150.7      81.6    81.1     3.6 helix_pdb
   27    240.9   26.8  170.8      82.5    80.9     3.6 helix_pdb
   28    281.6   33.4  166.5      81.6    80.8     3.6 helix_pdb
   29    290.4   33.1  166.7      82.0    80.7     3.6 helix_pdb
   30     66.9   34.6  143.2      82.1    80.7     3.6 helix_pdb
   31     89.7   37.8  148.5      81.4    80.7     3.6 helix_pdb
   32      1.1   24.0  157.9      81.5    80.7     3.6 helix_pdb
   33    133.6   27.8  141.5      80.4    80.5     3.5 helix_pdb
   34    350.9   26.2  159.2      80.1    80.5     3.5 helix_pdb
   35    170.1   30.7  141.5      80.4    80.5     3.5 helix_pdb
   36    238.5   34.6  163.9      81.8    80.4     3.5 helix_pdb
   37     86.2   34.2  153.4      81.3    80.4     3.5 helix_pdb
   38    351.9   21.7  148.5      80.3    80.3     3.5 helix_pdb
   39    161.0   30.0  141.4      80.8    80.3     3.5 helix_pdb
   40    231.2   27.3  171.5      82.1    80.2     3.5 helix_pdb
   41    276.5   23.5  171.3      81.1    80.1     3.5 helix_pdb
   42    179.4   35.7  151.0      81.4    80.1     3.5 helix_pdb
   43    286.9   23.0  169.8      81.2    80.0     3.5 helix_pdb
   44     72.9   36.8  146.8      80.4    79.7     3.4 helix_pdb
   45     56.3   20.6  156.8      80.8    79.7     3.4 helix_pdb
   46    226.1   28.7  167.3      81.1    79.7     3.4 helix_pdb
   47    248.3   29.3  162.7      79.4    79.7     3.4 helix_pdb
   48    168.8   39.9  163.1      80.1    79.5     3.4 helix_pdb
   49     94.9   34.5  153.8      80.0    79.1     3.4 helix_pdb
   50    168.9   35.3  142.5      79.8    79.0     3.4 helix_pdb
   51    316.8   32.1  167.6      81.1    78.9     3.4 helix_pdb
   52    219.0   39.2  165.8      79.6    78.9     3.4 helix_pdb
   53    335.6   60.2  153.7      79.4    78.9     3.4 helix_pdb
   54    322.8   28.6  160.3      79.0    78.8     3.3 helix_pdb
   55    155.4   40.0  157.0      78.4    78.7     3.3 helix_pdb
   56    232.6   37.5  171.1      79.0    78.6     3.3 helix_pdb
   57    246.3   25.1  174.6      80.0    78.6     3.3 helix_pdb
   58    260.3   37.3  170.7      79.0    78.5     3.3 helix_pdb
   59    163.6   40.0  158.2      78.4    78.5     3.3 helix_pdb
   60     29.9   26.5  156.0      77.7    78.5     3.3 helix_pdb
   61    331.0   25.5  151.2      80.2    78.3     3.3 helix_pdb
   62     10.7   27.0  148.4      79.9    78.3     3.3 helix_pdb
   63     74.0   36.1  212.8      79.2    78.3     3.3 helix_pdb
   64    152.6   30.0  150.4      79.4    78.0     3.3 helix_pdb
   65    221.3   35.0  162.8      78.1    78.0     3.3 helix_pdb
   66     55.9   49.4  194.2      78.2    77.9     3.2 helix_pdb
   67    217.5   27.2  176.3      79.9    77.9     3.2 helix_pdb
   68     60.8   26.6  129.6      78.0    77.8     3.2 helix_pdb
   69    266.8   29.1  162.3      77.8    77.8     3.2 helix_pdb
   70    248.5   40.7  162.8      78.3    77.7     3.2 helix_pdb
   71     42.6   32.8  151.2      77.8    77.7     3.2 helix_pdb
   72    188.5   36.1  151.9      78.8    77.7     3.2 helix_pdb
   73    296.4   20.6  159.3      79.7    77.6     3.2 helix_pdb
   74    204.2   35.1  161.6      78.7    77.5     3.2 helix_pdb
   75    341.6   28.5  159.6      76.7    77.4     3.2 helix_pdb
   76    183.4   40.2  156.6      78.1    77.4     3.2 helix_pdb
   77     63.1   47.9  196.7      77.5    77.4     3.2 helix_pdb
   78      9.7   28.5  158.4      75.6    77.4     3.2 helix_pdb
   79     19.0   28.6  158.1      75.9    77.2     3.2 helix_pdb
   80    285.3   35.8  173.3      79.1    77.1     3.2 helix_pdb
   81     82.2   32.1  212.8      76.9    77.0     3.1 helix_pdb
   82    302.5   34.5  174.6      78.7    76.9     3.1 helix_pdb
   83     35.0   58.5  174.9      77.7    76.9     3.1 helix_pdb
   84     30.4   24.9  165.3      79.1    76.9     3.1 helix_pdb
   85     79.3   28.9  129.8      76.9    76.9     3.1 helix_pdb
   86     42.4   57.7  177.4      75.8    76.8     3.1 helix_pdb
   87     37.1   39.3  209.4      77.4    76.8     3.1 helix_pdb
   88     21.9   46.5  196.2      76.5    76.7     3.1 helix_pdb
   89     10.9   21.0  165.8      77.6    76.7     3.1 helix_pdb
   90    352.1   21.6  169.2      77.9    76.7     3.1 helix_pdb
   91    174.8   35.2  168.2      78.2    76.7     3.1 helix_pdb
   92     27.1   27.8  147.5      78.7    76.7     3.1 helix_pdb
   93    242.6   48.3  196.3      78.5    76.7     3.1 helix_pdb
   94    108.2   30.0  138.9      76.8    76.7     3.1 helix_pdb
   95    195.6   35.3  161.0      78.0    76.6     3.1 helix_pdb
   96    170.8   30.8  150.4      76.7    76.6     3.1 helix_pdb
   97    276.8   36.5  172.7      78.3    76.6     3.1 helix_pdb
   98    224.3   30.8  159.2      75.5    76.4     3.1 helix_pdb
   99    165.5   35.6  167.6      78.1    76.4     3.1 helix_pdb
   100   139.5   30.1  154.8      77.7    76.3     3.1 helix_pdb
   101    12.5   21.8  155.4      77.4    76.3     3.1 helix_pdb
   102    99.1   29.2  139.0      77.2    76.3     3.1 helix_pdb
   103   192.6   30.3  164.0      76.6    76.2     3.1 helix_pdb
   104   147.2   28.4  136.6      76.5    76.2     3.1 helix_pdb
   105   207.9   27.9  176.7      77.3    76.2     3.1 helix_pdb
   106   224.3   30.8  179.4      77.8    76.1     3.0 helix_pdb
   107    31.3   27.0  139.0      76.4    76.1     3.0 helix_pdb
   108   176.1   30.9  154.4      74.4    76.0     3.0 helix_pdb
   109   214.4   56.8  174.0      78.0    76.0     3.0 helix_pdb
   110   233.3   30.8  159.2      75.7    76.0     3.0 helix_pdb
   111   194.8   32.1  146.9      76.1    76.0     3.0 helix_pdb
   112   197.6   45.3  156.8      76.2    75.9     3.0 helix_pdb
   113    93.4   30.4  100.0      77.8    75.9     3.0 helix_pdb
   114   209.8   31.6  154.8      75.1    75.9     3.0 helix_pdb
   115   130.3   30.0  155.0      77.2    75.8     3.0 helix_pdb
   116   287.3   43.0  111.0      73.9    75.8     3.0 helix_pdb
   117   128.8   26.6  137.0      76.2    75.8     3.0 helix_pdb
   118   131.6   36.7  164.2      77.3    75.7     3.0 helix_pdb
   119    84.5   21.2  136.3      77.4    75.6     3.0 helix_pdb
   120   206.2   37.0  179.7      76.3    75.6     3.0 helix_pdb
   121   210.9   39.5  164.7      76.6    75.6     3.0 helix_pdb
   122   156.7   29.3  136.4      76.4    75.6     3.0 helix_pdb
   123    47.3   26.9  133.6      76.5    75.5     3.0 helix_pdb
   124   264.7   40.4  165.3      78.2    75.5     3.0 helix_pdb
   125   206.2   45.3  158.5      76.7    75.5     3.0 helix_pdb
   126    84.5   31.1  134.0      76.2    75.5     3.0 helix_pdb
   127   112.0   29.6  155.3      75.1    75.4     3.0 helix_pdb
   128   251.8   23.3  178.3      76.5    75.4     3.0 helix_pdb
   129    88.6   14.5  113.8      77.5    75.4     3.0 helix_pdb
   130    72.5   11.7  223.6      75.3    75.4     3.0 helix_pdb
   131   207.4   29.4  167.8      76.6    75.4     3.0 helix_pdb
   132   306.5   14.4   74.5      74.5    75.3     3.0 helix_pdb
   133   285.4   20.6  161.4      77.1    75.3     3.0 helix_pdb
   134   300.4   24.4   96.6      76.3    75.3     3.0 helix_pdb
   135   353.6   30.7  168.0      77.0    75.3     3.0 helix_pdb
   136    38.9   16.4  156.1      77.1    75.3     3.0 helix_pdb
   137   194.3   50.7  192.8      77.9    75.2     3.0 helix_pdb
   138   304.7   28.0  182.0      77.0    75.2     2.9 helix_pdb
   139   239.7   32.0  139.9      75.6    75.2     2.9 helix_pdb
   140   177.1   30.6  164.1      76.0    75.2     2.9 helix_pdb
   141     9.3   30.0  168.0      76.3    75.2     2.9 helix_pdb
   142   287.7   13.5   93.5      74.6    75.2     2.9 helix_pdb
   143   197.3   40.3  158.6      76.0    75.2     2.9 helix_pdb
   144   140.1   44.1  153.2      77.2    75.1     2.9 helix_pdb
   145   209.8   41.8  153.0      76.1    75.1     2.9 helix_pdb
   146   101.4    5.4  211.6      75.3    75.0     2.9 helix_pdb
   147   206.9   32.4  178.3      76.0    75.0     2.9 helix_pdb
      22 trial orientations in initial search
      125 trial orientations in deep search

   Scoring 588 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #6 of 8
   0%      100%
   |========| DONE

   Mean Score (Sigma):       33.16   ( 9.96)

   SET #6 of 8 TRIAL #1 of 22
   --------------------------
   Ensemble helix_pdb Euler 260.25  25.95 169.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 36 sites over 67.5% of top
   36 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.580  0.707  0.433     98.511  4.74
   2      0.080  0.207  0.433     98.511  4.74
   3      0.551  0.559  0.375     97.367  4.55
   #Sites = 36: output truncated to 3 sites

   Top 36 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #1 of 22
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 17 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.551  0.559  0.375     81.995  4.55   0.0      2     97.367/    97.367
   2      0.089  0.260  0.657     80.409  4.23  35.3      2     95.475/    95.475
   3      0.169  0.591  0.588     78.856  4.10  24.4      2     94.694/    94.694
   #SITES = 17: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #2 of 22
   --------------------------
   Ensemble helix_pdb Euler  61.81  25.19 150.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 32 sites over 67.5% of top
   32 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.588  0.634  0.482     100.03  4.94
   2      0.088  0.134  0.482     100.03  4.94
   3      0.682  0.194  0.925      97.19  4.47
   #Sites = 32: output truncated to 3 sites

   Top 32 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #2 of 22
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 15 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.682  0.194  0.925     81.413  4.47   0.0      2     97.193/    97.193
   2      0.627  0.709  0.260     79.370  4.08  25.5      4     94.835/    95.035
   3      0.161  0.186  0.368     79.107  4.30  30.1      2     96.161/    96.161
   #SITES = 15: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #3 of 22
   --------------------------
   Ensemble helix_pdb Euler 330.42  24.03 161.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 22 sites over 67.5% of top
   22 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.586  0.787  0.234     98.413  5.08
   2      0.086  0.287  0.234     98.413  5.08
   3      0.605  0.296  0.012     98.003  5.01
   #Sites = 22: output truncated to 3 sites

   Top 22 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #3 of 22
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.602  0.303  0.008     81.628  4.58   0.0      4     95.361/    98.003
   2      0.059  0.292  0.903     79.224  4.53  28.0      2     95.095/    95.095
   3      0.197  0.282  0.461     79.055  4.97  25.9      2     97.779/    97.779
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #4 of 22
   --------------------------
   Ensemble helix_pdb Euler  51.87  24.86 151.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.620  0.092  0.036     97.785  4.84
   2      0.120  0.592  0.036     97.785  4.84
   3      0.669  0.653  0.368     96.969  4.71
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #4 of 22
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.670  0.655  0.370     83.987  4.51   0.0      4     95.760/    96.969
   2      0.026  0.575  0.581     78.723  4.24  26.3      2     94.124/    94.124
   3      0.120  0.592  0.036     76.466  4.84  29.3      2     97.785/    97.785
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #5 of 22
   --------------------------
   Ensemble helix_pdb Euler  81.53  25.92 148.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 34 sites over 67.5% of top
   34 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.606  0.321  0.043     97.318  4.70
   2      0.106  0.821  0.043     97.318  4.70
   3      0.631  0.710  0.824     96.923  4.63
   #Sites = 34: output truncated to 3 sites

   Top 34 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #5 of 22
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 15 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.314  0.597  0.489     81.472  4.29   0.0      2     94.807/    94.807
   2      0.650  0.289  0.379     80.404  4.42   9.9      2     95.610/    95.610
   3      0.631  0.710  0.824     79.315  4.63  22.6      2     96.923/    96.923
   #SITES = 15: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #6 of 22
   --------------------------
   Ensemble helix_pdb Euler 154.74  35.36 158.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 28 sites over 67.5% of top
   28 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.470  0.068  0.932     99.690  4.92
   2      0.970  0.568  0.932     99.690  4.92
   3      0.427  0.055  0.822     99.095  4.83
   #Sites = 28: output truncated to 3 sites

   Top 28 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #6 of 22
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.354  0.599  0.485     86.430  4.49   0.0      4     97.012/    97.012
   2      0.935  0.597  0.602     82.188  4.81  23.5      2     98.993/    98.993
   3      0.377  0.019  0.477     81.665  4.13  10.3      2     94.841/    94.841
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #7 of 22
   --------------------------
   Ensemble helix_pdb Euler  95.22  25.15 143.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.620  0.269  0.606     94.539  4.53
   2      0.120  0.769  0.606     94.539  4.53
   3      0.620  0.716  0.607     94.439  4.51
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #7 of 22
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.686  0.564  0.893     82.330  4.39   0.0      2     93.727/    93.727
   2      0.620  0.269  0.606     71.163  4.53  16.6      2     94.539/    94.539
   3      0.620  0.716  0.607     71.151  4.51  15.4      2     94.439/    94.439

   SET #6 of 8 TRIAL #8 of 22
   --------------------------
   Ensemble helix_pdb Euler 105.00  25.77 143.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.608  0.743  0.607     98.826  5.28
   2      0.108  0.243  0.607     98.826  5.28
   3      0.608  0.289  0.607     97.866  5.12
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #8 of 22
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.122  0.009  0.446     77.155  4.44   0.0      2     93.748/    93.748
   2      0.608  0.743  0.607     76.395  5.28  27.9      2     98.826/    98.826
   3      0.620  0.133  0.445     76.292  4.50  20.2      2     94.162/    94.162
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #9 of 22
   --------------------------
   Ensemble helix_pdb Euler 144.54  34.20 148.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 26 sites over 67.5% of top
   26 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.590  0.183  0.382     99.020  5.03
   2      0.090  0.683  0.382     99.020  5.03
   3      0.523  0.697  0.712     98.443  4.93
   #Sites = 26: output truncated to 3 sites

   Top 26 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #9 of 22
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.548  0.712  0.043     83.385  4.91   0.0      4     98.317/    98.317
   2      0.211  0.578  0.378     82.526  4.49  28.3      2     95.691/    95.691
   3      0.588  0.725  0.381     81.565  4.93  19.3      4     98.391/    98.391
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #10 of 22
   ---------------------------
   Ensemble helix_pdb Euler 311.90  26.45 162.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 34 sites over 67.5% of top
   34 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.563  0.747  0.777     97.820  4.75
   2      0.063  0.247  0.777     97.820  4.75
   3      0.340  0.208  0.007     95.783  4.42
   #Sites = 34: output truncated to 3 sites

   Top 34 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #10 of 22
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 16 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.313  0.681  0.219     80.014  4.17   0.0      2     94.236/    94.236
   2      0.889  0.154  0.890     79.826  4.34  18.9      2     95.293/    95.293
   3      0.063  0.247  0.777     78.087  4.75  24.3      2     97.820/    97.820
   #SITES = 16: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #11 of 22
   ---------------------------
   Ensemble helix_pdb Euler 254.25  27.73 166.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 22 sites over 67.5% of top
   22 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.536  0.589  0.369     101.31  5.28
   2      0.036  0.089  0.369     101.31  5.28
   3      0.509  0.266  0.980     100.61  5.16
   #Sites = 22: output truncated to 3 sites

   Top 22 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #11 of 22
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.536  0.589  0.369     90.348  5.28   0.0      6     101.31/    101.31
   2      0.509  0.266  0.980     83.054  5.16  21.2      2     100.61/    100.61

   SET #6 of 8 TRIAL #12 of 22
   ---------------------------
   Ensemble helix_pdb Euler 302.20  26.60 163.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 32 sites over 67.5% of top
   32 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.805  0.161  0.217     98.219  4.92
   2      0.305  0.661  0.217     98.219  4.92
   3      0.562  0.707  0.998     98.012  4.89
   #Sites = 32: output truncated to 3 sites

   Top 32 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #12 of 22
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.805  0.161  0.217     84.888  4.92   0.0      2     98.219/    98.219
   2      0.016  0.012  0.382     80.414  4.32  15.4      2     94.444/    94.444
   3      0.378  0.626  0.886     78.520  4.32  17.6      2     94.455/    94.455
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #13 of 22
   ---------------------------
   Ensemble helix_pdb Euler 130.85  39.28 153.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.701  0.595  0.642     93.196  4.77
   2      0.201  0.095  0.642     93.196  4.77
   3      0.302  0.063  0.264     92.838  4.71
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #13 of 22
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.802  0.563  0.264     79.263  4.71   0.0      2     92.838/    92.838
   2      0.201  0.095  0.642     76.139  4.77  12.7      2     93.196/    93.196

   SET #6 of 8 TRIAL #14 of 22
   ---------------------------
   Ensemble helix_pdb Euler 266.43  24.03 172.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.586  0.130  0.106     99.482  5.73
   2      0.086  0.630  0.106     99.482  5.73
   3      0.367  0.093  0.894     95.291  5.02
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #14 of 22
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.086  0.630  0.106     84.950  5.73   0.0      4     99.482/    99.482
   2      0.610  0.735  0.663     81.896  4.90  21.8      2     94.527/    94.527
   3      0.867  0.593  0.894     81.264  5.02   4.4      2     95.291/    95.291
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #15 of 22
   ---------------------------
   Ensemble helix_pdb Euler  68.53  27.20 153.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 46 sites over 67.5% of top
   46 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.600  0.674  0.030     99.338  5.00
   2      0.100  0.174  0.030     99.338  5.00
   3      0.604  0.677  0.035     98.475  4.86
   #Sites = 46: output truncated to 3 sites

   Top 46 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #15 of 22
   0%  100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 14 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.600  0.674  0.030     81.344  5.00   0.0      4     99.338/    99.338
   2      0.147  0.738  0.374     79.675  4.58  29.0      2     96.740/    96.740
   3      0.813  0.056  0.483     78.443  4.28  23.8      2     94.886/    94.886
   #SITES = 14: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #16 of 22
   ---------------------------
   Ensemble helix_pdb Euler 114.54  26.45 142.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.596  0.760  0.608     96.812  5.06
   2      0.096  0.260  0.608     96.812  5.06
   3      0.596  0.303  0.608     94.843  4.74
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #16 of 22
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.610  0.801  0.837     74.505  4.57   0.0      2     93.848/    93.848
   2      0.096  0.260  0.608     74.372  5.06  41.1      2     96.812/    96.812
   3      0.596  0.303  0.608     73.024  4.74  18.2      2     94.843/    94.843
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #17 of 22
   ---------------------------
   Ensemble helix_pdb Euler  41.80  24.60 152.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.624  0.056  0.035     96.950  5.20
   2      0.124  0.556  0.035     96.950  5.20
   3      0.403  0.144  0.593     94.399  4.77
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #17 of 22
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.175  0.114  0.369     83.631  4.71   0.0      2     94.022/    94.022
   2      0.624  0.056  0.035     76.184  5.20  29.6      2     96.950/    96.950
   3      0.124  0.142  0.034     75.925  4.75  18.6      2     94.267/    94.267
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #18 of 22
   ---------------------------
   Ensemble helix_pdb Euler 119.80  27.80 146.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.564  0.842  0.054     96.734  4.73
   2      0.064  0.342  0.054     96.734  4.73
   3      0.590  0.765  0.831     94.876  4.42
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #18 of 22
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.070  0.789  0.280     75.656  4.34   0.0      2     94.366/    94.366
   2      0.090  0.813  0.829     75.152  4.40  11.6      2     94.735/    94.735
   3      0.590  0.765  0.831     75.141  4.42  33.8      2     94.876/    94.876
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #19 of 22
   ---------------------------
   Ensemble helix_pdb Euler 138.41  28.85 146.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.530  0.777  0.725     98.305  5.09
   2      0.030  0.277  0.725     98.305  5.09
   3      0.529  0.776  0.723     97.377  4.94
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #19 of 22
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.029  0.276  0.723     88.817  4.94   0.0      4     97.377/    98.305
   2      0.095  0.753  0.167     76.566  4.65  20.3      2     95.690/    95.690

   SET #6 of 8 TRIAL #20 of 22
   ---------------------------
   Ensemble helix_pdb Euler  98.11  38.34 149.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.528  0.116  0.694     94.744  5.03
   2      0.028  0.616  0.694     94.744  5.03

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #20 of 22
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.028  0.616  0.694     80.074  5.03   0.0      2     94.744/    94.744

   SET #6 of 8 TRIAL #21 of 22
   ---------------------------
   Ensemble helix_pdb Euler  65.08  29.91 146.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.599  0.101  0.807     98.431  5.27
   2      0.099  0.601  0.807     98.431  5.27
   3      0.562  0.075  0.919     96.077  4.88
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #21 of 22
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.838  0.029  0.707     84.254  4.61   0.0      2     94.460/    94.460
   2      0.099  0.601  0.807     83.592  5.27  23.0      2     98.431/    98.431
   3      0.584  0.607  0.253     80.707  4.87  24.7      2     96.008/    96.008
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #22 of 22
   ---------------------------
   Ensemble helix_pdb Euler 136.29  40.23 158.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.290  0.011  0.261     93.647  4.87
   2      0.790  0.511  0.261     93.647  4.87
   3      0.688  0.549  0.641     93.234  4.80
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #22 of 22
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.290  0.011  0.261     80.552  4.87   0.0      2     93.647/    93.647
   2      0.688  0.549  0.641     79.004  4.80  12.1      2     93.234/    93.234

----------------------------
TRANSLATION FUNCTION #7 OF 8
----------------------------

   SOLU SET  RFZ=4.6 TFZ=3.2 PAK=0 LLG=57
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  122.2   28.7  181.6 FRAC -0.43  0.49 -0.50 BFAC -9.06
   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   87.1 RFZ  4.25

   SOLU TRIAL ENSEMBLE helix_pdb EULER   51.869   24.857  151.761 RF   85.9 RFZ  4.12

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   85.8 RFZ  4.11

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   85.3 RFZ  4.06

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.424   24.033  161.846 RF   84.9 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.535   25.925  148.923 RF   84.6 RFZ  3.97

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   84.1 RFZ  3.92

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   84.0 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   83.9 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   83.9 RFZ  3.90

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.201   26.601  163.128 RF   83.9 RFZ  3.90

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   83.6 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   83.6 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   83.6 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   83.2 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   82.6 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   82.4 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   82.4 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   82.4 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   82.3 RFZ  3.73

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   82.0 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   81.9 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   81.9 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   81.8 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   81.8 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   81.8 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   81.6 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   81.6 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   81.5 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   81.5 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   81.5 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   81.3 RFZ  3.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   81.2 RFZ  3.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   81.2 RFZ  3.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   81.2 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   81.1 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   81.1 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   81.1 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   80.9 RFZ  3.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   80.8 RFZ  3.57 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   80.7 RFZ  3.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   80.6 RFZ  3.55 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   80.4 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   80.4 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   80.3 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   80.3 RFZ  3.51 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   80.3 RFZ  3.51 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   80.2 RFZ  3.50 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   80.1 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   80.0 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   80.0 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   29.925   26.470  156.022 RF   79.8 RFZ  3.45 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   79.7 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   79.6 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   79.5 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   79.5 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   79.4 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   79.4 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   79.2 RFZ  3.40 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   79.2 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   79.1 RFZ  3.38 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   79.1 RFZ  3.38 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   79.1 RFZ  3.38 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   79.0 RFZ  3.37 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   79.0 RFZ  3.37 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.203   35.142  161.594 RF   79.0 RFZ  3.37 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   78.8 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.388   40.196  156.612 RF   78.5 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  108.160   30.031  138.942 RF   78.5 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.844   29.075  162.258 RF   78.4 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   78.3 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   78.3 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   78.2 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   78.2 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.105   29.162  138.969 RF   78.1 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.649   35.266  161.001 RF   78.1 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   12.483   21.810  155.358 RF   77.9 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.453   21.186  136.283 RF   77.9 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.561   28.504  159.572 RF   77.8 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   74.017   36.083  212.756 RF   77.8 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.047   28.565  158.082 RF   77.6 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.262   28.939  129.773 RF   77.5 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   77.5 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   77.5 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.619   48.334  196.267 RF   77.5 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.853   49.425  194.168 RF   77.3 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   77.3 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.166   59.074  160.520 RF   77.3 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   77.3 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.791   30.761  150.363 RF   77.2 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  139.502   30.142  154.811 RF   77.2 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.683   28.520  158.446 RF   77.2 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.306   29.978  154.977 RF   77.2 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   77.1 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   93.410   30.408  100.003 RF   77.1 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.398   57.665  177.443 RF   77.1 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   77.1 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   77.0 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.227   45.283  158.453 RF   76.8 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.560   45.317  156.800 RF   76.8 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  210.850   39.450  164.662 RF   76.8 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.278   40.307  158.593 RF   76.7 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   76.7 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.526   31.131  133.953 RF   76.6 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.078   44.065  153.168 RF   76.5 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.771   36.460  172.722 RF   76.5 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   76.4 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.302   50.743  192.838 RF   76.4 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.581   30.297  164.048 RF   76.4 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   76.4 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   88.596   14.547  113.772 RF   76.1 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   82.174   32.079  212.797 RF   76.1 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   76.0 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   38.861   16.401  156.062 RF   76.0 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.182   36.981  179.693 RF   76.0 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.724   13.530   93.504 RF   76.0 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.296   30.768  159.195 RF   75.9 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  353.579   30.665  168.047 RF   75.9 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  214.423   56.768  173.963 RF   75.8 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   25.214   19.891  151.386 RF   75.8 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.279   27.013  139.028 RF   75.8 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.732   40.369  165.315 RF   75.7 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.275   54.297  181.356 RF   75.7 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   75.7 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  147.239   28.399  136.646 RF   75.6 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.463   11.731  223.636 RF   75.6 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  270.077   26.844  178.929 RF   75.6 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  177.081   30.634  164.104 RF   75.6 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.791   32.132  146.853 RF   75.5 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.749   32.036  139.851 RF   75.5 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.110   30.878  154.447 RF   75.4 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  218.966   34.600  185.712 RF   75.4 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.974   29.645  155.250 RF   75.4 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.303   26.896  133.601 RF   75.4 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  120.330   37.137  144.780 RF   75.4 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  233.342   30.768  159.195 RF   75.4 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.257   30.048  168.017 RF   75.3 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.705   28.038  181.965 RF   75.3 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.387   20.578  161.440 RF   75.2 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.224   25.260  140.714 RF   75.2 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.820   38.127  146.797 RF   75.2 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  131.617   36.655  164.234 RF   75.2 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.392   19.880  167.093 RF   75.2 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.765   26.601  136.983 RF   75.1 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.760   41.761  152.978 RF   75.1 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.862   32.433  178.320 RF   75.1 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.828   31.579  154.758 RF   75.0 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.299   19.821  136.813 RF   75.0 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  186.873   43.841  170.156 RF   75.0 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.049   35.847  175.245 RF   74.9 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  306.520   14.352   74.543 RF   74.9 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  263.507   21.063  136.319 RF   74.9 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.350   24.444   96.617 RF   74.9 RFZ  2.93 # DEEP

   This TF set has 153 trial orientations

   #    Euler                  Rot-LLG      RF     RFZ  Ensemble
   1      61.8   25.2  150.8      85.3    87.1     4.2 helix_pdb
   2      51.9   24.9  151.8      84.3    85.9     4.1 helix_pdb
   3     260.3   25.9  169.4      85.7    85.8     4.1 helix_pdb
   4     154.7   35.4  158.0      84.0    85.3     4.1 helix_pdb
   5     330.4   24.0  161.8      84.5    84.9     4.0 helix_pdb
   6      81.5   25.9  148.9      84.3    84.6     4.0 helix_pdb
   7      65.1   29.9  146.5      81.5    84.1     3.9 helix_pdb
   8     144.5   34.2  148.9      83.2    84.0     3.9 helix_pdb
   9     311.9   26.5  162.4      83.2    83.9     3.9 helix_pdb
   10     95.2   25.2  143.9      83.8    83.9     3.9 helix_pdb
   11    302.2   26.6  163.1      82.8    83.9     3.9 helix_pdb
   12    254.3   27.7  166.2      83.0    83.6     3.9 helix_pdb
   13     68.5   27.2  153.3      82.1    83.6     3.9 helix_pdb
   14    105.0   25.8  143.1      83.6    83.6     3.9 helix_pdb
   15     41.8   24.6  152.9      82.2    83.2     3.8 helix_pdb
   16    266.4   24.0  172.4      82.7    82.6     3.8 helix_pdb
   17    130.9   39.3  153.8      82.8    82.4     3.7 helix_pdb
   18    119.8   27.8  146.6      82.3    82.4     3.7 helix_pdb
   19    138.4   28.8  146.0      82.0    82.4     3.7 helix_pdb
   20    125.0   29.0  150.7      81.2    82.3     3.7 helix_pdb
   21    238.5   34.6  163.9      80.3    82.0     3.7 helix_pdb
   22    243.8   38.1  168.7      81.3    81.9     3.7 helix_pdb
   23    114.5   38.8  151.6      81.5    81.9     3.7 helix_pdb
   24    290.4   33.1  166.7      80.8    81.8     3.7 helix_pdb
   25    114.5   26.4  142.5      82.4    81.8     3.7 helix_pdb
   26    240.9   26.8  170.8      81.0    81.8     3.7 helix_pdb
   27      1.1   24.0  157.9      80.6    81.6     3.7 helix_pdb
   28    332.6   27.0  170.3      81.3    81.6     3.7 helix_pdb
   29     98.1   38.3  149.4      82.0    81.5     3.6 helix_pdb
   30    281.6   33.4  166.5      80.8    81.5     3.6 helix_pdb
   31     89.7   37.8  148.5      81.0    81.5     3.6 helix_pdb
   ----- angles below here for deep search only -----
   32    231.2   27.3  171.5      80.3    81.3     3.6 helix_pdb
   33    286.9   23.0  169.8      80.1    81.2     3.6 helix_pdb
   34     66.9   34.6  143.2      80.9    81.2     3.6 helix_pdb
   35    179.4   35.7  151.0      80.2    81.2     3.6 helix_pdb
   36     86.2   34.2  153.4      80.4    81.1     3.6 helix_pdb
   37    276.5   23.5  171.3      80.3    81.1     3.6 helix_pdb
   38    136.3   40.2  158.3      81.6    81.1     3.6 helix_pdb
   39    350.9   26.2  159.2      80.4    80.9     3.6 helix_pdb
   40    170.1   30.7  141.5      80.8    80.8     3.6 helix_pdb
   41    226.1   28.7  167.3      79.5    80.7     3.6 helix_pdb
   42    168.8   39.9  163.1      79.6    80.6     3.5 helix_pdb
   43    161.0   30.0  141.4      80.5    80.4     3.5 helix_pdb
   44     72.9   36.8  146.8      79.9    80.4     3.5 helix_pdb
   45    133.6   27.8  141.5      80.8    80.3     3.5 helix_pdb
   46     56.3   20.6  156.8      79.8    80.3     3.5 helix_pdb
   47    351.9   21.7  148.5      80.5    80.3     3.5 helix_pdb
   48    155.4   40.0  157.0      78.6    80.2     3.5 helix_pdb
   49    219.0   39.2  165.8      78.8    80.1     3.5 helix_pdb
   50    232.6   37.5  171.1      78.6    80.0     3.5 helix_pdb
   51    248.3   29.3  162.7      79.4    80.0     3.5 helix_pdb
   52     29.9   26.5  156.0      78.1    79.8     3.5 helix_pdb
   53    163.6   40.0  158.2      78.4    79.7     3.4 helix_pdb
   54     94.9   34.5  153.8      79.0    79.6     3.4 helix_pdb
   55     10.7   27.0  148.4      78.3    79.5     3.4 helix_pdb
   56    316.8   32.1  167.6      78.9    79.5     3.4 helix_pdb
   57    335.6   60.2  153.7      79.4    79.4     3.4 helix_pdb
   58    221.3   35.0  162.8      77.6    79.4     3.4 helix_pdb
   59    188.5   36.1  151.9      77.6    79.2     3.4 helix_pdb
   60    168.9   35.3  142.5      79.1    79.2     3.4 helix_pdb
   61    152.6   30.0  150.4      77.9    79.1     3.4 helix_pdb
   62    322.8   28.6  160.3      78.6    79.1     3.4 helix_pdb
   63    331.0   25.5  151.2      78.3    79.1     3.4 helix_pdb
   64     27.1   27.8  147.5      76.5    79.0     3.4 helix_pdb
   65    260.3   37.3  170.7      78.5    79.0     3.4 helix_pdb
   66    204.2   35.1  161.6      77.2    79.0     3.4 helix_pdb
   67    246.3   25.1  174.6      78.7    78.8     3.3 helix_pdb
   68    183.4   40.2  156.6      77.3    78.5     3.3 helix_pdb
   69    108.2   30.0  138.9      76.4    78.5     3.3 helix_pdb
   70    266.8   29.1  162.3      77.4    78.4     3.3 helix_pdb
   71    217.5   27.2  176.3      78.0    78.3     3.3 helix_pdb
   72     60.8   26.6  129.6      77.9    78.3     3.3 helix_pdb
   73     42.6   32.8  151.2      77.7    78.2     3.3 helix_pdb
   74     30.4   24.9  165.3      76.7    78.2     3.3 helix_pdb
   75     99.1   29.2  139.0      76.0    78.1     3.3 helix_pdb
   76    195.6   35.3  161.0      76.1    78.1     3.3 helix_pdb
   77     12.5   21.8  155.4      76.0    77.9     3.3 helix_pdb
   78     84.5   21.2  136.3      75.5    77.9     3.2 helix_pdb
   79    341.6   28.5  159.6      77.0    77.8     3.2 helix_pdb
   80     74.0   36.1  212.8      78.8    77.8     3.2 helix_pdb
   81     19.0   28.6  158.1      76.7    77.6     3.2 helix_pdb
   82     79.3   28.9  129.8      76.8    77.5     3.2 helix_pdb
   83     35.0   58.5  174.9      77.3    77.5     3.2 helix_pdb
   84    296.4   20.6  159.3      77.7    77.5     3.2 helix_pdb
   85    242.6   48.3  196.3      76.8    77.5     3.2 helix_pdb
   86     55.9   49.4  194.2      78.4    77.3     3.2 helix_pdb
   87    352.1   21.6  169.2      76.6    77.3     3.2 helix_pdb
   88    204.2   59.1  160.5      76.1    77.3     3.2 helix_pdb
   89    174.8   35.2  168.2      76.7    77.3     3.2 helix_pdb
   90    170.8   30.8  150.4      76.4    77.2     3.2 helix_pdb
   91    139.5   30.1  154.8      76.1    77.2     3.2 helix_pdb
   92      9.7   28.5  158.4      76.9    77.2     3.2 helix_pdb
   93    130.3   30.0  155.0      75.6    77.2     3.2 helix_pdb
   94     10.9   21.0  165.8      76.7    77.1     3.2 helix_pdb
   95     93.4   30.4  100.0      76.1    77.1     3.2 helix_pdb
   96     42.4   57.7  177.4      77.2    77.1     3.2 helix_pdb
   97    285.3   35.8  173.3      77.2    77.1     3.2 helix_pdb
   98    302.5   34.5  174.6      77.1    77.0     3.2 helix_pdb
   99    206.2   45.3  158.5      75.6    76.8     3.1 helix_pdb
   100   197.6   45.3  156.8      76.0    76.8     3.1 helix_pdb
   101   210.9   39.5  164.7      75.3    76.8     3.1 helix_pdb
   102   197.3   40.3  158.6      74.9    76.7     3.1 helix_pdb
   103   248.5   40.7  162.8      77.8    76.7     3.1 helix_pdb
   104    84.5   31.1  134.0      75.3    76.6     3.1 helix_pdb
   105   140.1   44.1  153.2      75.1    76.5     3.1 helix_pdb
   106   276.8   36.5  172.7      76.5    76.5     3.1 helix_pdb
   107   207.9   27.9  176.7      76.2    76.4     3.1 helix_pdb
   108   194.3   50.7  192.8      75.3    76.4     3.1 helix_pdb
   109   192.6   30.3  164.0      76.0    76.4     3.1 helix_pdb
   110   165.5   35.6  167.6      76.3    76.4     3.1 helix_pdb
   111    88.6   14.5  113.8      75.6    76.1     3.1 helix_pdb
   112    82.2   32.1  212.8      77.3    76.1     3.1 helix_pdb
   113   224.3   30.8  179.4      75.9    76.0     3.1 helix_pdb
   114    38.9   16.4  156.1      75.3    76.0     3.0 helix_pdb
   115   206.2   37.0  179.7      75.6    76.0     3.0 helix_pdb
   116   287.7   13.5   93.5      75.4    76.0     3.0 helix_pdb
   117   224.3   30.8  159.2      75.9    75.9     3.0 helix_pdb
   118   353.6   30.7  168.0      75.1    75.9     3.0 helix_pdb
   119   214.4   56.8  174.0      76.2    75.8     3.0 helix_pdb
   120    25.2   19.9  151.4      73.5    75.8     3.0 helix_pdb
   121    31.3   27.0  139.0      76.1    75.8     3.0 helix_pdb
   122   264.7   40.4  165.3      75.4    75.7     3.0 helix_pdb
   123   227.3   54.3  181.4      74.1    75.7     3.0 helix_pdb
   124   207.4   29.4  167.8      75.2    75.7     3.0 helix_pdb
   125   147.2   28.4  136.6      76.3    75.6     3.0 helix_pdb
   126    72.5   11.7  223.6      75.7    75.6     3.0 helix_pdb
   127   270.1   26.8  178.9      72.5    75.6     3.0 helix_pdb
   128   177.1   30.6  164.1      74.9    75.6     3.0 helix_pdb
   129   194.8   32.1  146.9      75.9    75.5     3.0 helix_pdb
   130   239.7   32.0  139.9      75.3    75.5     3.0 helix_pdb
   131   176.1   30.9  154.4      75.7    75.4     3.0 helix_pdb
   132   219.0   34.6  185.7      74.8    75.4     3.0 helix_pdb
   133   112.0   29.6  155.3      75.2    75.4     3.0 helix_pdb
   134    47.3   26.9  133.6      75.5    75.4     3.0 helix_pdb
   135   120.3   37.1  144.8      73.4    75.4     3.0 helix_pdb
   136   233.3   30.8  159.2      75.5    75.4     3.0 helix_pdb
   137     9.3   30.0  168.0      75.0    75.3     3.0 helix_pdb
   138   304.7   28.0  182.0      75.1    75.3     3.0 helix_pdb
   139   285.4   20.6  161.4      75.2    75.2     3.0 helix_pdb
   140    52.2   25.3  140.7      73.8    75.2     3.0 helix_pdb
   141   136.8   38.1  146.8      73.2    75.2     3.0 helix_pdb
   142   131.6   36.7  164.2      75.7    75.2     3.0 helix_pdb
   143   316.4   19.9  167.1      73.8    75.2     3.0 helix_pdb
   144   128.8   26.6  137.0      75.8    75.1     3.0 helix_pdb
   145   209.8   41.8  153.0      75.1    75.1     2.9 helix_pdb
   146   206.9   32.4  178.3      74.8    75.1     2.9 helix_pdb
   147   209.8   31.6  154.8      75.6    75.0     2.9 helix_pdb
   148    37.3   19.8  136.8      73.9    75.0     2.9 helix_pdb
   149   186.9   43.8  170.2      73.8    75.0     2.9 helix_pdb
   150   238.0   35.8  175.2      72.8    74.9     2.9 helix_pdb
   151   306.5   14.4   74.5      75.8    74.9     2.9 helix_pdb
   152   263.5   21.1  136.3      74.0    74.9     2.9 helix_pdb
   153   300.4   24.4   96.6      75.6    74.9     2.9 helix_pdb
      31 trial orientations in initial search
      122 trial orientations in deep search

   Scoring 612 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #7 of 8
   0%      100%
   |========| DONE

   Mean Score (Sigma):       34.02   (11.03)

   SET #7 of 8 TRIAL #1 of 31
   --------------------------
   Ensemble helix_pdb Euler  61.81  25.19 150.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 78 sites over 67.5% of top
   78 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.362  0.733  0.039     103.74  5.29
   2      0.862  0.233  0.039     103.74  5.29
   3      0.372  0.138  0.043     103.58  5.26
   #Sites = 78: output truncated to 3 sites

   Top 78 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #1 of 31
   0%   100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 27 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.372  0.138  0.043     85.259  5.26   0.0      6     103.58/    103.58
   2      0.096  0.576  0.704     84.928  4.32  22.7      2      97.78/     97.78
   3      0.088  0.855  0.981     84.196  4.78  24.7      2     100.61/    100.61
   #SITES = 27: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #2 of 31
   --------------------------
   Ensemble helix_pdb Euler  51.87  24.86 151.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 38 sites over 67.5% of top
   38 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.397  0.123  0.595     101.21  5.22
   2      0.897  0.623  0.595     101.21  5.22
   3      0.486  0.603  0.025      99.26  4.90
   #Sites = 38: output truncated to 3 sites

   Top 38 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #2 of 31
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 14 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.486  0.603  0.025     85.365  4.90   0.0      2     99.264/    99.264
   2      0.913  0.940  0.761     82.541  4.13  37.7      2     94.585/    94.585
   3      0.860  0.953  0.671     82.461  4.36  33.4      2     95.972/    95.972
   #SITES = 14: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #3 of 31
   --------------------------
   Ensemble helix_pdb Euler 260.25  25.95 169.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 52 sites over 67.5% of top
   52 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.757  0.174  0.431     101.25  5.09
   2      0.257  0.674  0.431     101.25  5.09
   3      0.580  0.117  0.433     100.27  4.93
   #Sites = 52: output truncated to 3 sites

   Top 52 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #3 of 31
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 16 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.667  0.604  0.988     86.096  4.05   0.0      2     94.905/    94.905
   2      0.580  0.117  0.433     84.709  4.93  24.1      4    100.266/   100.266
   3      0.189  0.117  0.109     84.297  4.48  21.4      4     97.544/    97.544
   #SITES = 16: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #4 of 31
   --------------------------
   Ensemble helix_pdb Euler 154.74  35.36 158.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 56 sites over 67.5% of top
   56 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.724  0.559  0.933     102.93  5.28
   2      0.224  0.059  0.933     102.93  5.28
   3      0.730  0.561  0.937      99.22  4.68
   #Sites = 56: output truncated to 3 sites

   Top 56 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #4 of 31
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 17 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.174  0.615  0.593     85.614  3.99   0.0      2     94.905/    94.905
   2      0.641  0.085  0.601     82.571  4.27  29.1      2     96.656/    96.656
   3      0.068  0.543  0.836     82.259  4.02  21.4      2     95.068/    95.068
   #SITES = 17: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #5 of 31
   --------------------------
   Ensemble helix_pdb Euler 330.42  24.03 161.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.362  0.766  0.016     96.341  4.64
   2      0.862  0.266  0.016     96.341  4.64
   3      0.629  0.773  0.345     95.965  4.58
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #5 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.629  0.773  0.345     82.330  4.58   0.0      2     95.965/    95.965
   2      0.824  0.686  0.092     75.270  4.52  31.0      2     95.604/    95.604
   3      0.411  0.815  0.479     74.316  4.44  13.9      2     95.126/    95.126
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #6 of 31
   --------------------------
   Ensemble helix_pdb Euler  81.53  25.92 148.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 28 sites over 67.5% of top
   28 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.355  0.201  0.045     103.86  5.67
   2      0.855  0.701  0.045     103.86  5.67
   3      0.364  0.194  0.053      98.06  4.74
   #Sites = 28: output truncated to 3 sites

   Top 28 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #6 of 31
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.413  0.728  0.916     90.844  4.19   0.0      2     94.660/    94.660
   2      0.437  0.731  0.378     82.910  4.23  27.9      2     94.928/    94.928
   3      0.610  0.656  0.376     82.756  4.42  17.4      2     96.072/    96.072
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #7 of 31
   --------------------------
   Ensemble helix_pdb Euler  65.08  29.91 146.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 22 sites over 67.5% of top
   22 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.813  0.547  0.919     99.816  5.21
   2      0.313  0.047  0.919     99.816  5.21
   3      0.825  0.541  0.923     98.563  5.00
   #Sites = 22: output truncated to 3 sites

   Top 22 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #7 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.825  0.541  0.923     81.704  5.00   0.0      6     98.563/    99.816
   2      0.544  0.497  0.139     81.102  4.80  31.7      2     97.329/    97.329
   3      0.240  0.573  0.048     81.040  4.32   7.3      2     94.379/    94.379
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #8 of 31
   --------------------------
   Ensemble helix_pdb Euler 144.54  34.20 148.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 42 sites over 67.5% of top
   42 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.307  0.457  0.559     99.938  5.06
   2      0.807  0.957  0.559     99.938  5.06
   3      0.547  0.632  0.272     99.300  4.95
   #Sites = 42: output truncated to 3 sites

   Top 42 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #8 of 31
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.542  0.633  0.265     85.050  4.44   0.0      4     96.030/    99.300
   2      0.807  0.957  0.559     83.218  5.06  20.4      2     99.938/    99.938
   3      0.806  0.254  0.059     79.676  4.72  26.1      2     97.797/    97.797
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #9 of 31
   --------------------------
   Ensemble helix_pdb Euler 311.90  26.45 162.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 38 sites over 67.5% of top
   38 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.640  0.667  0.885     101.23  5.19
   2      0.140  0.167  0.885     101.23  5.19
   3      0.444  0.232  0.994      97.78  4.64
   #Sites = 38: output truncated to 3 sites

   Top 38 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #9 of 31
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 12 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.260  0.227  0.116     80.937  4.13   0.0      4     94.627/    95.856
   2      0.140  0.167  0.885     80.874  5.19  11.4      4    101.234/   101.234
   3      0.943  0.632  0.490     77.855  4.16  31.5      4     94.793/    94.796
   #SITES = 12: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #10 of 31
   ---------------------------
   Ensemble helix_pdb Euler  95.22  25.15 143.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.619  0.459  0.107     99.905  5.33
   2      0.119  0.959  0.107     99.905  5.33
   3      0.422  0.258  0.723     97.874  5.00
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #10 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.008  0.217  0.152     82.788  4.73   0.0      2     96.279/    96.279
   2      0.119  0.959  0.107     82.379  5.33  13.8      2     99.905/    99.905
   3      0.922  0.758  0.723     77.112  5.00  12.6      2     97.874/    97.874
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #11 of 31
   ---------------------------
   Ensemble helix_pdb Euler 302.20  26.60 163.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 32 sites over 67.5% of top
   32 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.632  0.643  0.883     98.612  4.85
   2      0.132  0.143  0.883     98.612  4.85
   3      0.637  0.648  0.890     96.880  4.58
   #Sites = 32: output truncated to 3 sites

   Top 32 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #11 of 31
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 12 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.107  0.159  0.778     82.040  4.24   0.0      2     94.785/    94.785
   2      0.132  0.143  0.883     81.494  4.85   5.5      4     98.612/    98.612
   3      0.749  0.704  0.106     81.125  4.32  14.9      4     95.248/    95.248
   #SITES = 12: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #12 of 31
   ---------------------------
   Ensemble helix_pdb Euler 254.25  27.73 166.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 42 sites over 67.5% of top
   42 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.305  0.274  0.095     100.51  5.04
   2      0.805  0.774  0.095     100.51  5.04
   3      0.314  0.682  0.100     100.04  4.96
   #Sites = 42: output truncated to 3 sites

   Top 42 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #12 of 31
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 12 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.589  0.645  0.876     88.456  4.46   0.0      4     96.955/    98.583
   2      0.147  0.141  0.984     88.020  4.27  45.0      2     95.736/    95.736
   3      0.918  0.599  0.587     84.533  4.42  34.5      2     96.713/    96.713
   #SITES = 12: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #13 of 31
   ---------------------------
   Ensemble helix_pdb Euler  68.53  27.20 153.28 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      9448 peaks
      2 peaks over 106.344 checked for packing
      No translation peaks pack
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 48 sites over 67.5% of top
   48 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.363  0.146  0.046     104.98  5.74
   2      0.863  0.646  0.046     104.98  5.74
   3      0.354  0.153  0.037     102.70  5.38
   #Sites = 48: output truncated to 3 sites

   Top 48 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #13 of 31
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 14 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.363  0.146  0.046     87.375  5.74   0.0      4     104.98/    104.98
   2      0.575  0.100  0.700     86.871  4.76  13.2      2      98.85/     98.85
   3      0.329  0.967  0.862     82.473  4.27  10.8      2      95.79/     95.79
   #SITES = 14: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #14 of 31
   ---------------------------
   Ensemble helix_pdb Euler 105.00  25.77 143.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 24 sites over 67.5% of top
   24 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.608  0.474  0.107     103.08  5.94
   2      0.108  0.974  0.107     103.08  5.94
   3      0.607  0.160  0.608      97.65  5.03
   #Sites = 24: output truncated to 3 sites

   Top 24 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #14 of 31
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.108  0.974  0.107     86.524  5.94   0.0      6     103.08/    103.08
   2      0.471  0.767  0.502     85.439  4.72  26.3      4      95.80/     96.26
   3      0.959  0.520  0.682     79.395  4.38  21.0      2      93.75/     93.75
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #15 of 31
   ---------------------------
   Ensemble helix_pdb Euler  41.80  24.60 152.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.401  0.072  0.590     98.944  5.39
   2      0.901  0.572  0.590     98.944  5.39
   3      0.365  0.409  0.669     96.174  4.93
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #15 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.419  0.394  0.761     86.396  4.73   0.0      2     94.964/    94.964
   2      0.365  0.409  0.669     83.554  4.93   4.6      2     96.174/    96.174
   3      0.491  0.567  0.024     81.273  4.65  11.2      2     94.487/    94.487
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #16 of 31
   ---------------------------
   Ensemble helix_pdb Euler 266.43  24.03 172.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.795  0.146  0.994     96.522  5.17
   2      0.295  0.646  0.994     96.522  5.17
   3      0.795  0.729  0.994     96.316  5.14
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #16 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.719  0.655  0.658     82.796  4.72   0.0      2     93.849/    93.849
   2      0.795  0.729  0.994     82.239  5.14  17.7      2     96.316/    96.316
   3      0.795  0.146  0.994     80.858  5.17  21.2      2     96.522/    96.522
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #17 of 31
   ---------------------------
   Ensemble helix_pdb Euler 130.85  39.28 153.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.634  0.075  0.480     93.974  4.89
   2      0.134  0.575  0.480     93.974  4.89

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #17 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.634  0.075  0.480     87.334  4.89   0.0      2     93.974/    93.974

   SET #7 of 8 TRIAL #18 of 31
   ---------------------------
   Ensemble helix_pdb Euler 119.80  27.80 146.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 24 sites over 67.5% of top
   24 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.366  0.253  0.169     100.85  5.37
   2      0.866  0.753  0.169     100.85  5.37
   3      0.613  0.678  0.497      97.31  4.79
   #Sites = 24: output truncated to 3 sites

   Top 24 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #18 of 31
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.613  0.678  0.497     81.993  4.79   0.0      4     97.313/    97.313
   2      0.866  0.753  0.169     79.637  5.37  32.9      2    100.852/   100.852
   3      0.272  0.880  0.943     79.225  4.67  28.7      4     96.588/    96.588
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #19 of 31
   ---------------------------
   Ensemble helix_pdb Euler 138.41  28.85 146.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.298  0.829  0.061     99.057  5.13
   2      0.798  0.329  0.061     99.057  5.13
   3      0.344  0.251  0.172     96.926  4.78
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #19 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.805  0.331  0.069     80.907  4.43   0.0      4     94.832/    99.057
   2      0.784  0.852  0.061     75.919  4.48  11.5      2     95.125/    95.125
   3      0.430  0.230  0.608     75.710  4.38  27.4      2     94.526/    94.526
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #20 of 31
   ---------------------------
   Ensemble helix_pdb Euler 125.04  28.98 150.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 54 sites over 67.5% of top
   54 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.754  0.725  0.938     101.80  5.25
   2      0.254  0.225  0.938     101.80  5.25
   3      0.754  0.337  0.939     100.74  5.08
   #Sites = 54: output truncated to 3 sites

   Top 54 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #20 of 31
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 17 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.254  0.837  0.939     79.964  5.08   0.0      4     100.74/    100.74
   2      0.754  0.725  0.938     79.451  5.25  46.2      4     101.80/    101.80
   3      0.807  0.024  0.559     78.317  4.66  28.6      4      98.10/     98.10
   #SITES = 17: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #21 of 31
   ---------------------------
   Ensemble helix_pdb Euler 238.45  34.59 163.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.404  0.285  0.067     99.772  5.39
   2      0.904  0.785  0.067     99.772  5.39
   3      0.454  0.316  0.628     98.268  5.15
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #21 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.904  0.785  0.067     86.263  5.39   0.0      2     99.772/    99.772
   2      0.454  0.316  0.628     82.352  5.15  33.6      2     98.268/    98.268
   3      0.772  0.893  0.208     78.823  4.56  19.4      2     94.620/    94.620
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #22 of 31
   ---------------------------
   Ensemble helix_pdb Euler 243.79  38.08 168.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.716  0.485  0.855     92.914  4.88
   2      0.216  0.985  0.855     92.914  4.88

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #22 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.216  0.985  0.855     83.293  4.88   0.0      2     92.914/    92.914

   SET #7 of 8 TRIAL #23 of 31
   ---------------------------
   Ensemble helix_pdb Euler 114.47  38.85 151.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #24 of 31
   ---------------------------
   Ensemble helix_pdb Euler 290.39  33.10 166.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.752  0.309  0.870     99.041  5.26
   2      0.252  0.809  0.870     99.041  5.26
   3      0.745  0.309  0.863     97.522  5.01
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #24 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.008  0.766  0.201     82.173  4.71   0.0      2     95.638/    95.638
   2      0.843  0.829  0.305     77.831  4.40  20.2      2     93.762/    93.762
   3      0.961  0.804  0.537     76.492  4.83  15.0      2     96.420/    96.420
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #25 of 31
   ---------------------------
   Ensemble helix_pdb Euler 114.54  26.45 142.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.595  0.480  0.107     99.042  5.46
   2      0.095  0.980  0.107     99.042  5.46
   3      0.634  0.700  0.500     96.661  5.07
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #25 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.954  0.287  0.497     87.176  4.83   0.0      4     95.257/    95.341
   2      0.634  0.700  0.500     83.577  5.07  31.3      2     96.661/    96.661
   3      0.595  0.480  0.107     81.351  5.46  25.9      2     99.042/    99.042

   SET #7 of 8 TRIAL #26 of 31
   ---------------------------
   Ensemble helix_pdb Euler 240.92  26.84 170.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.753  0.171  0.981     94.664  4.68
   2      0.253  0.671  0.981     94.664  4.68
   3      0.748  0.167  0.976     93.721  4.52
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #26 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.412  0.087  0.586     82.889  4.51   0.0      2     93.630/    93.630
   2      0.248  0.667  0.976     78.929  4.52  32.7      4     93.721/    94.664

   SET #7 of 8 TRIAL #27 of 31
   ---------------------------
   Ensemble helix_pdb Euler   1.14  23.98 157.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.604  0.324  0.245     94.959  4.97
   2      0.104  0.824  0.245     94.959  4.97
   3      0.385  0.340  0.218     93.857  4.79
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #27 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.604  0.324  0.245     79.592  4.97   0.0      2     94.959/    94.959
   2      0.385  0.340  0.218     76.636  4.79  19.1      2     93.857/    93.857

   SET #7 of 8 TRIAL #28 of 31
   ---------------------------
   Ensemble helix_pdb Euler 332.57  27.01 170.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.360  0.895  0.008     95.154  5.04
   2      0.860  0.395  0.008     95.154  5.04
   3      0.359  0.497  0.008     94.064  4.86
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #28 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.859  0.997  0.008     74.258  4.86   0.0      2     94.064/    94.064
   2      0.860  0.395  0.008     74.096  5.04   9.5      2     95.154/    95.154

   SET #7 of 8 TRIAL #29 of 31
   ---------------------------
   Ensemble helix_pdb Euler  98.11  38.34 149.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.742  0.513  0.804     93.458  4.81
   2      0.242  0.013  0.804     93.458  4.81
   3      0.684  0.973  0.025     93.120  4.75
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #29 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.684  0.973  0.025     79.254  4.75   0.0      2     93.120/    93.120
   2      0.242  0.013  0.804     76.153  4.81   8.3      2     93.458/    93.458

   SET #7 of 8 TRIAL #30 of 31
   ---------------------------
   Ensemble helix_pdb Euler 281.57  33.45 166.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.746  0.295  0.869     96.605  4.94
   2      0.246  0.795  0.869     96.605  4.94
   3      0.739  0.299  0.861     96.160  4.86
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #30 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.430  0.248  0.981     83.221  4.69   0.0      2     95.102/    95.102
   2      0.246  0.795  0.869     72.794  4.94  17.3      2     96.605/    96.605
   3      0.737  0.884  0.861     72.608  4.41  34.9      2     93.413/    93.413

   SET #7 of 8 TRIAL #31 of 31
   ---------------------------
   Ensemble helix_pdb Euler  89.72  37.80 148.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.516  0.428  0.133     93.856  4.78
   2      0.016  0.928  0.133     93.856  4.78

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #31 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.016  0.928  0.133     82.002  4.78   0.0      2     93.856/    93.856

----------------------------
TRANSLATION FUNCTION #8 OF 8
----------------------------

   SOLU SET  RFZ=4.4 TFZ=4.4 PAK=0 LLG=55
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  308.4   38.5  146.3 FRAC -0.23  0.02 -0.19 BFAC -6.83
   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   83.6 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   83.3 RFZ  3.98

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.535   25.925  148.923 RF   82.3 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER   51.869   24.857  151.761 RF   81.4 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   81.4 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.424   24.033  161.846 RF   81.4 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   81.3 RFZ  3.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   81.2 RFZ  3.76 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   81.1 RFZ  3.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   81.0 RFZ  3.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   80.7 RFZ  3.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   80.5 RFZ  3.69 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   80.4 RFZ  3.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   80.3 RFZ  3.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   80.3 RFZ  3.66 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.201   26.601  163.128 RF   80.2 RFZ  3.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   80.2 RFZ  3.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   80.1 RFZ  3.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   80.0 RFZ  3.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   80.0 RFZ  3.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   79.8 RFZ  3.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   79.7 RFZ  3.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   79.7 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   79.7 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   79.6 RFZ  3.59 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   79.6 RFZ  3.59 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   79.5 RFZ  3.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   79.2 RFZ  3.55 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   79.2 RFZ  3.55 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   79.1 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   79.0 RFZ  3.53 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   79.0 RFZ  3.53 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   78.7 RFZ  3.50 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   78.7 RFZ  3.50 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   78.7 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   78.7 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   78.7 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   78.6 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   78.5 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   78.5 RFZ  3.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   78.4 RFZ  3.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   78.0 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   78.0 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   77.9 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   77.7 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   77.7 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   77.7 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   77.5 RFZ  3.37 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   77.4 RFZ  3.36 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   77.3 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   77.3 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   77.2 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   77.1 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   77.0 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   77.0 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   76.9 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   76.6 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   76.5 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   76.5 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   76.5 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   76.5 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   76.4 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   76.3 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   76.3 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   76.1 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   76.1 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   76.0 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   75.8 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   75.7 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   75.7 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   75.6 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   75.6 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   75.5 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   75.4 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  132.641   24.827  184.107 RF   75.4 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   75.3 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   75.3 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.087   47.928  196.726 RF   75.2 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   74.017   36.083  212.756 RF   75.2 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   75.1 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   75.1 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   21.857   46.476  196.197 RF   75.1 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   75.1 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   75.0 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   75.0 RFZ  3.10 # DEEP

   This TF set has 85 trial orientations

   #    Euler                  Rot-LLG      RF     RFZ  Ensemble
   1     260.3   25.9  169.4      86.2    83.6     4.0 helix_pdb
   2      61.8   25.2  150.8      87.3    83.3     4.0 helix_pdb
   3      81.5   25.9  148.9      84.6    82.3     3.9 helix_pdb
   4      51.9   24.9  151.8      86.0    81.4     3.8 helix_pdb
   5     105.0   25.8  143.1      83.8    81.4     3.8 helix_pdb
   6     330.4   24.0  161.8      85.0    81.4     3.8 helix_pdb
   ----- angles below here for deep search only -----
   7     154.7   35.4  158.0      85.4    81.3     3.8 helix_pdb
   8      95.2   25.2  143.9      84.0    81.2     3.8 helix_pdb
   9     144.5   34.2  148.9      84.0    81.1     3.8 helix_pdb
   10    254.3   27.7  166.2      83.6    81.0     3.7 helix_pdb
   11    311.9   26.5  162.4      84.0    80.7     3.7 helix_pdb
   12     68.5   27.2  153.3      83.5    80.5     3.7 helix_pdb
   13     65.1   29.9  146.5      84.1    80.4     3.7 helix_pdb
   14    119.8   27.8  146.6      82.6    80.3     3.7 helix_pdb
   15    114.5   26.4  142.5      81.9    80.3     3.7 helix_pdb
   16    302.2   26.6  163.1      84.0    80.2     3.7 helix_pdb
   17    138.4   28.8  146.0      82.6    80.2     3.6 helix_pdb
   18     66.9   34.6  143.2      81.2    80.1     3.6 helix_pdb
   19    240.9   26.8  170.8      81.9    80.0     3.6 helix_pdb
   20    281.6   33.4  166.5      81.5    80.0     3.6 helix_pdb
   21    130.9   39.3  153.8      82.6    79.8     3.6 helix_pdb
   22    136.3   40.2  158.3      81.2    79.7     3.6 helix_pdb
   23    290.4   33.1  166.7      81.8    79.7     3.6 helix_pdb
   24    231.2   27.3  171.5      81.3    79.7     3.6 helix_pdb
   25    170.1   30.7  141.5      81.1    79.6     3.6 helix_pdb
   26    332.6   27.0  170.3      81.7    79.6     3.6 helix_pdb
   27    266.4   24.0  172.4      82.8    79.5     3.6 helix_pdb
   28    125.0   29.0  150.7      82.4    79.2     3.6 helix_pdb
   29    238.5   34.6  163.9      81.8    79.2     3.5 helix_pdb
   30    161.0   30.0  141.4      80.6    79.1     3.5 helix_pdb
   31     86.2   34.2  153.4      81.1    79.0     3.5 helix_pdb
   32     72.9   36.8  146.8      80.5    79.0     3.5 helix_pdb
   33     56.3   20.6  156.8      80.4    78.7     3.5 helix_pdb
   34    114.5   38.8  151.6      82.0    78.7     3.5 helix_pdb
   35     89.7   37.8  148.5      81.7    78.7     3.5 helix_pdb
   36    226.1   28.7  167.3      80.6    78.7     3.5 helix_pdb
   37    179.4   35.7  151.0      81.2    78.7     3.5 helix_pdb
   38     41.8   24.6  152.9      83.2    78.6     3.5 helix_pdb
   39     98.1   38.3  149.4      81.7    78.5     3.5 helix_pdb
   40    133.6   27.8  141.5      80.5    78.5     3.5 helix_pdb
   41    243.8   38.1  168.7      82.0    78.4     3.5 helix_pdb
   42    351.9   21.7  148.5      80.4    78.0     3.4 helix_pdb
   43    316.8   32.1  167.6      79.3    78.0     3.4 helix_pdb
   44    331.0   25.5  151.2      79.1    77.9     3.4 helix_pdb
   45    335.6   60.2  153.7      80.0    77.7     3.4 helix_pdb
   46     10.7   27.0  148.4      79.5    77.7     3.4 helix_pdb
   47     94.9   34.5  153.8      79.5    77.7     3.4 helix_pdb
   48    217.5   27.2  176.3      78.4    77.5     3.4 helix_pdb
   49    168.9   35.3  142.5      79.2    77.4     3.4 helix_pdb
   50      1.1   24.0  157.9      81.5    77.3     3.3 helix_pdb
   51    152.6   30.0  150.4      78.9    77.3     3.3 helix_pdb
   52    219.0   39.2  165.8      80.0    77.2     3.3 helix_pdb
   53    276.5   23.5  171.3      81.3    77.1     3.3 helix_pdb
   54    246.3   25.1  174.6      78.8    77.0     3.3 helix_pdb
   55    286.9   23.0  169.8      81.3    77.0     3.3 helix_pdb
   56    168.8   39.9  163.1      80.7    76.9     3.3 helix_pdb
   57    302.5   34.5  174.6      77.1    76.6     3.3 helix_pdb
   58    174.8   35.2  168.2      77.2    76.5     3.3 helix_pdb
   59    188.5   36.1  151.9      79.2    76.5     3.3 helix_pdb
   60    155.4   40.0  157.0      80.1    76.5     3.3 helix_pdb
   61    350.9   26.2  159.2      80.7    76.5     3.3 helix_pdb
   62    165.5   35.6  167.6      76.2    76.4     3.3 helix_pdb
   63    322.8   28.6  160.3      78.9    76.3     3.2 helix_pdb
   64    260.3   37.3  170.7      78.9    76.3     3.2 helix_pdb
   65     30.4   24.9  165.3      78.0    76.1     3.2 helix_pdb
   66     27.1   27.8  147.5      78.9    76.1     3.2 helix_pdb
   67     60.8   26.6  129.6      78.4    76.0     3.2 helix_pdb
   68    232.6   37.5  171.1      80.0    75.8     3.2 helix_pdb
   69    296.4   20.6  159.3      77.5    75.7     3.2 helix_pdb
   70    207.9   27.9  176.7      76.4    75.7     3.2 helix_pdb
   71    224.3   30.8  179.4      75.8    75.6     3.2 helix_pdb
   72    163.6   40.0  158.2      79.6    75.6     3.2 helix_pdb
   73    248.3   29.3  162.7      79.7    75.5     3.2 helix_pdb
   74    248.5   40.7  162.8      76.6    75.4     3.1 helix_pdb
   75    132.6   24.8  184.1      72.8    75.4     3.1 helix_pdb
   76    352.1   21.6  169.2      77.2    75.3     3.1 helix_pdb
   77    207.4   29.4  167.8      75.4    75.3     3.1 helix_pdb
   78     63.1   47.9  196.7      77.6    75.2     3.1 helix_pdb
   79     74.0   36.1  212.8      78.3    75.2     3.1 helix_pdb
   80     42.6   32.8  151.2      78.2    75.1     3.1 helix_pdb
   81     10.9   21.0  165.8      77.1    75.1     3.1 helix_pdb
   82     21.9   46.5  196.2      76.3    75.1     3.1 helix_pdb
   83    221.3   35.0  162.8      79.0    75.1     3.1 helix_pdb
   84    285.3   35.8  173.3      77.1    75.0     3.1 helix_pdb
   85     35.0   58.5  174.9      77.9    75.0     3.1 helix_pdb
      6 trial orientations in initial search
      79 trial orientations in deep search

   Scoring 510 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #8 of 8
   0%   100%
   |=====| DONE

   Mean Score (Sigma):       35.99   ( 9.96)

   SET #8 of 8 TRIAL #1 of 6
   -------------------------
   Ensemble helix_pdb Euler 260.25  25.95 169.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 36 sites over 67.5% of top
   36 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.414  0.933  0.033     100.39  5.02
   2      0.914  0.433  0.033     100.39  5.02
   3      0.358  0.468  0.165      99.05  4.80
   #Sites = 36: output truncated to 3 sites

   Top 36 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #1 of 6
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 14 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.414  0.933  0.033     87.144  5.02   0.0      2     100.39/    100.39
   2      0.745  0.443  0.384     84.966  4.49  23.5      2      97.19/     97.19
   3      0.776  0.302  0.489     83.615  4.40  27.0      2      96.68/     96.68
   #SITES = 14: OUTPUT TRUNCATED TO 3 SITES

   SET #8 of 8 TRIAL #2 of 6
   -------------------------
   Ensemble helix_pdb Euler  61.81  25.19 150.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 32 sites over 67.5% of top
   32 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.648  0.439  0.098     97.391  4.43
   2      0.148  0.939  0.098     97.391  4.43
   3      0.644  0.439  0.092     97.077  4.38
   #Sites = 32: output truncated to 3 sites

   Top 32 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #2 of 6
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.456  0.462  0.876     82.486  4.21   0.0      2     96.076/    96.076
   2      0.177  0.429  0.425     79.540  4.23  23.1      2     96.179/    96.179
   3      0.597  0.845  0.702     79.073  4.06  23.7      2     95.168/    95.168
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #8 of 8 TRIAL #3 of 6
   -------------------------
   Ensemble helix_pdb Euler  81.53  25.92 148.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.598  0.968  0.543     97.598  4.68
   2      0.098  0.468  0.543     97.598  4.68
   3      0.607  0.554  0.542     97.076  4.59
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #3 of 6
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.586  0.891  0.712     80.760  4.25   0.0      2     94.998/    94.998
   2      0.938  0.040  0.880     79.495  4.41  27.1      2     95.934/    95.934
   3      0.099  0.576  0.541     77.864  4.54  39.6      2     96.728/    96.728
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #8 of 8 TRIAL #4 of 6
   -------------------------
   Ensemble helix_pdb Euler  51.87  24.86 151.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.360  0.392  0.174     97.377  4.84
   2      0.860  0.892  0.174     97.377  4.84
   3      0.622  0.990  0.536     94.573  4.37
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #4 of 6
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.860  0.892  0.174     81.079  4.84   0.0      2     97.377/    97.377
   2      0.622  0.990  0.536     75.247  4.37  31.3      2     94.573/    94.573

   SET #8 of 8 TRIAL #5 of 6
   -------------------------
   Ensemble helix_pdb Euler 105.00  25.77 143.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.796  0.442  0.941     98.610  5.15
   2      0.296  0.942  0.941     98.610  5.15
   3      0.607  0.064  0.108     98.401  5.12
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #5 of 6
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.296  0.942  0.941     85.783  5.15   0.0      4     98.610/    98.610
   2      0.607  0.064  0.108     77.774  5.12  11.7      2     98.401/    98.401
   3      0.797  0.772  0.942     75.390  4.39  46.2      2     94.133/    94.133

   SET #8 of 8 TRIAL #6 of 6
   -------------------------
   Ensemble helix_pdb Euler 330.42  24.03 161.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.606  0.585  0.512     100.47  5.50
   2      0.106  0.085  0.512     100.47  5.50
   3      0.410  0.077  0.977      97.04  4.93
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #6 of 6
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.103  0.081  0.510     85.551  4.82   0.0      4     96.361/   100.471
   2      0.348  0.086  0.156     81.462  4.81  31.6      2     96.295/    96.295
   3      0.584  0.080  0.735     78.060  4.64  36.8      2     95.277/    95.277
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

-------------------------
DEEP TRANSLATION FUNCTION
-------------------------

   Best TFZ is NOT over Z-score cutoff for definite solution (8.00)
   Search deep in trial orientation list

---------------------------------
DEEP TRANSLATION FUNCTION #1 OF 8
---------------------------------

   187 trial orientations in deep search

   SOLU SET  RFZ=4.7 TFZ=4.3 PAK=0 LLG=63 TFZ==5.1
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER   34.2   33.1  180.4 FRAC -0.23  0.51 -0.14 BFAC -10.07 #TFZ==5.1
   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   92.0 RFZ  4.10

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   92.0 RFZ  4.10

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.535   25.925  148.923 RF   91.3 RFZ  4.03

   SOLU TRIAL ENSEMBLE helix_pdb EULER   51.869   24.857  151.761 RF   91.3 RFZ  4.02

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   90.6 RFZ  3.94

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   90.2 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   90.2 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   90.0 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   89.9 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   89.8 RFZ  3.86

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.424   24.033  161.846 RF   89.7 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   89.7 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   89.4 RFZ  3.81

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.201   26.601  163.128 RF   89.3 RFZ  3.81

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   89.3 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   89.0 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   88.9 RFZ  3.76

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   88.8 RFZ  3.76

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   88.8 RFZ  3.75

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   88.6 RFZ  3.73

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   88.6 RFZ  3.73

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   88.5 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   88.3 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   88.2 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   88.1 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   88.1 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   87.9 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   87.9 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   87.9 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   87.9 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   87.8 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   87.8 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   87.7 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   87.6 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   87.5 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   87.4 RFZ  3.61

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   87.4 RFZ  3.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   87.3 RFZ  3.59

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   87.1 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   86.9 RFZ  3.56

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   86.9 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   86.9 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   86.8 RFZ  3.54

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   86.6 RFZ  3.52

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   86.5 RFZ  3.51

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   86.5 RFZ  3.51

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   86.5 RFZ  3.51

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   86.4 RFZ  3.50

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   86.4 RFZ  3.49

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   86.2 RFZ  3.48

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   86.1 RFZ  3.46

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   86.1 RFZ  3.46

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   85.9 RFZ  3.45

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   85.8 RFZ  3.43

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   85.7 RFZ  3.42

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   85.6 RFZ  3.41

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   85.4 RFZ  3.39

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   85.2 RFZ  3.36

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   85.1 RFZ  3.35

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   85.0 RFZ  3.34

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   85.0 RFZ  3.34

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   84.9 RFZ  3.33

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   84.8 RFZ  3.33

   SOLU TRIAL ENSEMBLE helix_pdb EULER   29.925   26.470  156.022 RF   84.7 RFZ  3.32

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.619   48.334  196.267 RF   84.5 RFZ  3.29

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   84.5 RFZ  3.29

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.203   35.142  161.594 RF   84.4 RFZ  3.28

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   84.4 RFZ  3.28

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   84.3 RFZ  3.27

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   84.3 RFZ  3.27

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   84.3 RFZ  3.27

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   84.2 RFZ  3.26

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.844   29.075  162.258 RF   84.1 RFZ  3.25

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   84.1 RFZ  3.25

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   84.0 RFZ  3.24

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   84.0 RFZ  3.24

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   84.0 RFZ  3.24

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   83.9 RFZ  3.23

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   83.9 RFZ  3.23

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   83.8 RFZ  3.22

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.791   30.761  150.363 RF   83.8 RFZ  3.22

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.453   21.186  136.283 RF   83.7 RFZ  3.21

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.853   49.425  194.168 RF   83.7 RFZ  3.21

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.078   44.065  153.168 RF   83.5 RFZ  3.19

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.561   28.504  159.572 RF   83.4 RFZ  3.18

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.262   28.939  129.773 RF   83.4 RFZ  3.18

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.388   40.196  156.612 RF   83.4 RFZ  3.18

   SOLU TRIAL ENSEMBLE helix_pdb EULER  131.617   36.655  164.234 RF   83.4 RFZ  3.17

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.649   35.266  161.001 RF   83.4 RFZ  3.17

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   83.3 RFZ  3.16

   SOLU TRIAL ENSEMBLE helix_pdb EULER   12.483   21.810  155.358 RF   83.3 RFZ  3.16

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.771   36.460  172.722 RF   83.3 RFZ  3.16

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.526   31.131  133.953 RF   83.1 RFZ  3.14

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.683   28.520  158.446 RF   83.1 RFZ  3.14

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.614   52.183  186.085 RF   83.0 RFZ  3.13

   SOLU TRIAL ENSEMBLE helix_pdb EULER  108.160   30.031  138.942 RF   83.0 RFZ  3.13

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.279   27.013  139.028 RF   83.0 RFZ  3.13

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.047   28.565  158.082 RF   82.9 RFZ  3.12

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.732   40.369  165.315 RF   82.9 RFZ  3.12

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.302   50.743  192.838 RF   82.8 RFZ  3.11

   SOLU TRIAL ENSEMBLE helix_pdb EULER  139.502   30.142  154.811 RF   82.8 RFZ  3.11

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.105   29.162  138.969 RF   82.8 RFZ  3.11

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.275   54.297  181.356 RF   82.7 RFZ  3.10

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   82.7 RFZ  3.10

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.303   26.896  133.601 RF   82.6 RFZ  3.09

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.227   45.283  158.453 RF   82.6 RFZ  3.09

   SOLU TRIAL ENSEMBLE helix_pdb EULER  147.239   28.399  136.646 RF   82.4 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  137.940   55.679  141.632 RF   82.4 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  210.850   39.450  164.662 RF   82.3 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   82.3 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.110   30.878  154.447 RF   82.2 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.705   28.038  181.965 RF   82.2 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   82.174   32.079  212.797 RF   82.2 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   38.861   16.401  156.062 RF   82.1 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.765   26.601  136.983 RF   82.1 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.560   45.317  156.800 RF   82.1 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.306   29.978  154.977 RF   82.0 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  193.405   46.199  192.801 RF   82.0 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.182   36.981  179.693 RF   82.0 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.581   30.297  164.048 RF   81.9 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.278   40.307  158.593 RF   81.9 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.791   32.132  146.853 RF   81.9 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   81.9 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.387   20.578  161.440 RF   81.9 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.760   41.761  152.978 RF   81.9 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.862   32.433  178.320 RF   81.8 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  353.579   30.665  168.047 RF   81.7 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.674   29.315  136.354 RF   81.7 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  218.966   34.600  185.712 RF   81.7 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   81.7 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   49.289   33.293  141.902 RF   81.7 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.768   30.768  159.195 RF   81.7 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.500   39.817  171.071 RF   81.7 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   88.596   14.547  113.772 RF   81.7 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  182.024   40.582  148.556 RF   81.6 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   14.334   23.518  135.651 RF   81.5 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  228.515   25.247  221.999 RF   81.5 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  214.423   56.768  173.963 RF   81.5 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.583   40.879  160.397 RF   81.4 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.350   24.444   96.617 RF   81.3 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   25.214   19.891  151.386 RF   81.3 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.138   25.215  134.276 RF   81.3 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.820   38.127  146.797 RF   81.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.743   34.377  143.791 RF   81.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   26.727   22.173  134.486 RF   81.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.257   30.048  168.017 RF   81.2 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  261.465   30.958  211.704 RF   81.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.974   29.645  155.250 RF   81.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  191.680   46.966  185.047 RF   81.1 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  177.081   30.634  164.104 RF   81.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  251.757   23.300  178.313 RF   81.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.474   32.698  151.429 RF   81.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.296   30.768  159.195 RF   81.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  301.686   18.210  172.997 RF   81.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  233.342   30.768  159.195 RF   80.9 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  120.330   37.137  144.780 RF   80.9 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  201.232   44.691  195.382 RF   80.8 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.308   53.759  154.829 RF   80.8 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.224   25.260  140.714 RF   80.8 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.828   31.579  154.758 RF   80.7 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  247.473   49.991  190.954 RF   80.7 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  273.241   25.466  218.527 RF   80.7 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  186.873   43.841  170.156 RF   80.5 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.057   41.618  149.304 RF   80.5 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  116.193   13.908   85.859 RF   80.5 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  323.822   26.217  181.423 RF   80.5 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  237.787   44.836  165.264 RF   80.4 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  212.936   41.167  203.145 RF   80.4 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  249.985    7.323  233.307 RF   80.3 RFZ  2.84 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.463   11.731  223.636 RF   80.3 RFZ  2.84 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.335   58.354  154.199 RF   80.2 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.893   24.939  180.164 RF   80.2 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   17.831   18.414  140.969 RF   80.2 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.876   44.557  156.213 RF   80.2 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.392   19.880  167.093 RF   80.2 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  235.281   18.530  222.803 RF   80.1 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.035   34.851  174.050 RF   80.1 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.095   20.634  108.809 RF   80.1 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.460   21.314  150.409 RF   80.0 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  187.914   33.960  177.620 RF   80.0 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  305.879   28.560   99.448 RF   80.0 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  327.778   16.454  154.763 RF   79.9 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  107.121   15.923  103.954 RF   79.9 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.722   30.768  159.195 RF   79.9 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  270.077   26.844  178.929 RF   79.9 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.664   28.496  175.086 RF   79.8 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.480   30.768  159.195 RF   79.8 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.483   42.272  158.790 RF   79.8 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.724    9.032  130.621 RF   79.8 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.036   32.648  147.192 RF   79.8 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.762   31.367  167.872 RF   79.8 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   78.454   33.718  128.610 RF   79.6 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   39.722   18.231  145.587 RF   79.6 RFZ  2.76 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.414    5.368  211.612 RF   79.6 RFZ  2.76 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.287   26.641  100.429 RF   79.6 RFZ  2.76 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.664   23.050  182.201 RF   79.5 RFZ  2.76 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.299   19.821  136.813 RF   79.4 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  346.738   19.547  178.670 RF   79.4 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  167.554   53.753  165.358 RF   79.4 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  167.913   39.885  143.186 RF   79.4 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  171.632   44.458  159.325 RF   79.4 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.279   48.442  147.730 RF   79.3 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.443   43.194  171.864 RF   79.3 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    2.250   24.787  138.003 RF   79.3 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.170   40.468  144.627 RF   79.3 RFZ  2.73 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.724   13.530   93.504 RF   79.2 RFZ  2.73 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  309.155   23.841  175.706 RF   79.2 RFZ  2.72 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  245.347   32.164  155.672 RF   79.1 RFZ  2.72 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  292.600   27.121  184.996 RF   79.1 RFZ  2.72 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.868   17.129  138.121 RF   79.1 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  109.395   40.969  157.891 RF   79.1 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.049   35.847  175.245 RF   79.0 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  230.234   50.904  176.489 RF   79.0 RFZ  2.70 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.480   24.023  131.089 RF   79.0 RFZ  2.70 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  200.885   37.243  147.962 RF   79.0 RFZ  2.70 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  278.572   30.768  159.195 RF   78.9 RFZ  2.70 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.242   27.811  147.025 RF   78.9 RFZ  2.69 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.664   30.768  159.195 RF   78.9 RFZ  2.69 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  205.761   41.527  180.889 RF   78.8 RFZ  2.69 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  199.461   39.034  167.248 RF   78.8 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   18.341   30.410  143.145 RF   78.8 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.583   29.426  173.150 RF   78.8 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.059   39.286  172.292 RF   78.7 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  359.138   23.339  175.345 RF   78.7 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  215.092   52.358  172.249 RF   78.7 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  159.766   34.093  132.723 RF   78.7 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.749   32.036  139.851 RF   78.6 RFZ  2.66 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  205.995   55.362  156.266 RF   78.6 RFZ  2.66 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.109   33.304  152.137 RF   78.6 RFZ  2.66 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.169   32.279  155.943 RF   78.5 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  338.494   31.758  176.517 RF   78.5 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.946   24.365  161.788 RF   78.5 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  216.502   28.412  146.594 RF   78.5 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.592   42.873  152.005 RF   78.5 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  180.647   53.219  173.617 RF   78.5 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  100.219   21.636  148.565 RF   78.4 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.618   30.768  159.195 RF   78.4 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  109.534   18.020  110.510 RF   78.4 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.488   35.661  216.142 RF   78.4 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  148.402   38.491  144.073 RF   78.4 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   46.892   28.603  167.417 RF   78.3 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  184.248   45.530  146.855 RF   78.3 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.820   37.772  178.440 RF   78.3 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  137.708   19.211   82.017 RF   78.3 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   85.319   24.505  101.394 RF   78.3 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   21.642   36.352  153.484 RF   78.3 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.302   26.056  178.161 RF   78.3 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.968   41.276  171.853 RF   78.2 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.201   37.089  156.639 RF   78.2 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.311   43.587  168.237 RF   78.2 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.507   44.542  160.874 RF   78.2 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.021   47.206  198.816 RF   78.2 RFZ  2.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    7.035   35.908  152.205 RF   78.2 RFZ  2.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  334.249   37.540  157.424 RF   78.1 RFZ  2.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.349   34.097  182.439 RF   78.1 RFZ  2.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  312.617   35.970  173.606 RF   78.1 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  200.501   39.003  204.210 RF   78.0 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.930   43.233  153.410 RF   78.0 RFZ  2.59 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  325.907   37.435  156.554 RF   77.9 RFZ  2.59 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.075   48.825  125.702 RF   77.9 RFZ  2.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   78.884   19.011  132.783 RF   77.8 RFZ  2.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  283.334    5.776  208.816 RF   77.8 RFZ  2.57 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  258.340   41.841  197.962 RF   77.7 RFZ  2.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  274.412   29.322  185.075 RF   77.7 RFZ  2.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.077   32.635  209.533 RF   77.6 RFZ  2.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  309.154    9.012  183.123 RF   77.6 RFZ  2.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  223.672   39.646  202.230 RF   77.6 RFZ  2.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.129   11.878  183.406 RF   77.6 RFZ  2.55 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.323   24.669  141.232 RF   77.5 RFZ  2.55 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.829   11.489  197.872 RF   77.5 RFZ  2.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  359.706   33.033  159.523 RF   77.4 RFZ  2.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  137.842   32.059  167.509 RF   77.4 RFZ  2.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  247.179   41.198  187.738 RF   77.4 RFZ  2.53 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   15.489   12.042  160.765 RF   77.4 RFZ  2.53 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  253.287   30.342  146.391 RF   77.3 RFZ  2.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  279.689   26.024  178.281 RF   77.3 RFZ  2.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  339.282   19.463  161.916 RF   77.3 RFZ  2.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.161   49.159  155.492 RF   77.2 RFZ  2.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  142.833   27.362  131.753 RF   77.2 RFZ  2.51 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.455   46.601  141.028 RF   77.0 RFZ  2.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.145   32.296  186.766 RF   77.0 RFZ  2.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.617    8.605  197.042 RF   77.0 RFZ  2.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  141.369   61.887  148.003 RF   77.0 RFZ  2.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  277.591   30.448  204.591 RF   76.9 RFZ  2.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.687   43.189  184.295 RF   76.9 RFZ  2.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.392   32.726  161.404 RF   76.9 RFZ  2.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  167.053   44.483  143.665 RF   76.9 RFZ  2.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  236.553   23.205  184.621 RF   76.9 RFZ  2.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.885   20.049  142.016 RF   76.8 RFZ  2.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.150   30.735  150.055 RF   76.8 RFZ  2.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.996   49.044  164.605 RF   76.8 RFZ  2.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.632   23.111  140.179 RF   76.8 RFZ  2.46 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  234.049   22.834  148.435 RF   76.8 RFZ  2.46 # DEEP

   Scoring 586 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #1 of 8
   0%            100%
   |==============| DONE

   Mean Score (Sigma):       33.66   (10.31)

   SET #1 of 8 TRIAL #107 of 293 (TRIAL #1 of 187 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 147.24  28.40 136.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #108 of 293 (TRIAL #2 of 187 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 137.94  55.68 141.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #109 of 293 (TRIAL #3 of 187 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 210.85  39.45 164.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #110 of 293 (TRIAL #4 of 187 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  34.98  58.45 174.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #111 of 293 (TRIAL #5 of 187 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 176.11  30.88 154.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.247  0.384  0.567     98.088  5.08
   2      0.747  0.884  0.567     98.088  5.08
   3      0.427  0.251  0.388     95.192  4.62
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #111 of 293 (TRIAL #5 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.208  0.719  0.833     78.639  4.34   0.0      2     93.418/    93.418
   2      0.427  0.251  0.388     78.366  4.62  29.3      2     95.192/    95.192
   3      0.185  0.257  0.391     76.233  4.37  28.9      2     93.563/    93.563
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #112 of 293 (TRIAL #6 of 187 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 304.70  28.04 181.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #113 of 293 (TRIAL #7 of 187 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  82.17  32.08 212.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #114 of 293 (TRIAL #8 of 187 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  38.86  16.40 156.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #115 of 293 (TRIAL #9 of 187 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 128.76  26.60 136.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #116 of 293 (TRIAL #10 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 197.56  45.32 156.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #117 of 293 (TRIAL #11 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 130.31  29.98 154.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.715  0.918  0.377     99.981  5.17
   2      0.215  0.418  0.377     99.981  5.17
   3      0.715  0.485  0.377     97.605  4.80
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #117 of 293 (TRIAL #11 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.784  0.347  0.932     80.181  4.43   0.0      2     95.220/    95.220
   2      0.715  0.918  0.377     78.779  5.17  33.1      4     99.981/    99.981
   3      0.291  0.511  0.548     72.783  4.37  26.8      2     94.793/    94.793
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #118 of 293 (TRIAL #12 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 193.41  46.20 192.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #119 of 293 (TRIAL #13 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 206.18  36.98 179.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #120 of 293 (TRIAL #14 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 192.58  30.30 164.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.658  0.679  0.841     95.180  4.66
   2      0.158  0.179  0.841     95.180  4.66
   3      0.209  0.204  0.455     95.033  4.64
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #120 of 293 (TRIAL #14 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.194  0.737  0.586     85.036  4.62   0.0      2     94.898/    94.898
   2      0.243  0.954  0.407     76.908  4.51  15.6      4     94.188/    94.188
   3      0.665  0.678  0.850     76.621  4.40  35.1      2     93.532/    93.532
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #121 of 293 (TRIAL #15 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 197.28  40.31 158.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.605  0.833  0.107     92.101  5.09
   2      0.105  0.333  0.107     92.101  5.09

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #121 of 293 (TRIAL #15 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.605  0.833  0.107     82.799  5.09   0.0      2     92.101/    92.101

   SET #1 of 8 TRIAL #122 of 293 (TRIAL #16 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 194.79  32.13 146.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.247  0.447  0.575     98.209  5.20
   2      0.747  0.947  0.575     98.209  5.20
   3      0.230  0.440  0.896     97.152  5.02
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #122 of 293 (TRIAL #16 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.730  0.940  0.896     82.366  5.02   0.0      2     97.152/    97.152
   2      0.247  0.447  0.575     81.794  5.20  33.5      2     98.209/    98.209
   3      0.251  0.925  0.448     76.879  4.75  23.0      2     95.532/    95.532
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #123 of 293 (TRIAL #17 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 207.91  27.89 176.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.268  0.555  0.721     93.476  4.91
   2      0.768  0.055  0.721     93.476  4.91

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #123 of 293 (TRIAL #17 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.268  0.555  0.721     90.348  4.91   0.0      2     93.476/    93.476

   SET #1 of 8 TRIAL #124 of 293 (TRIAL #18 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 285.39  20.58 161.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.798  0.905  0.644     97.266  5.92
   2      0.298  0.405  0.644     97.266  5.92
   3      0.795  0.903  0.638     93.349  5.23
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #124 of 293 (TRIAL #18 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.798  0.905  0.644     91.446  5.92   0.0      4     97.266/    97.266

   SET #1 of 8 TRIAL #125 of 293 (TRIAL #19 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 209.76  41.76 152.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #126 of 293 (TRIAL #20 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 206.86  32.43 178.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #127 of 293 (TRIAL #21 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 353.58  30.67 168.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.490  0.263  0.855     93.929  4.44
   2      0.990  0.763  0.855     93.929  4.44

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #127 of 293 (TRIAL #21 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.990  0.763  0.855     76.818  4.44   0.0      2     93.929/    93.929

   SET #1 of 8 TRIAL #128 of 293 (TRIAL #22 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 156.67  29.32 136.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.433  0.046  0.253     94.358  5.36
   2      0.933  0.546  0.253     94.358  5.36

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #128 of 293 (TRIAL #22 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.933  0.546  0.253     85.649  5.36   0.0      2     94.358/    94.358

   SET #1 of 8 TRIAL #129 of 293 (TRIAL #23 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 218.97  34.60 185.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #130 of 293 (TRIAL #24 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 207.45  29.35 167.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.704  0.135  0.596     97.424  5.31
   2      0.204  0.635  0.596     97.424  5.31
   3      0.266  0.117  0.580     94.421  4.80
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #130 of 293 (TRIAL #24 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.204  0.635  0.596     90.046  5.31   0.0      2     97.424/    97.424

   SET #1 of 8 TRIAL #131 of 293 (TRIAL #25 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  49.29  33.29 141.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #132 of 293 (TRIAL #26 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 153.77  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 22 sites over 67.5% of top
   22 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.661  0.914  0.322     96.646  4.76
   2      0.161  0.414  0.322     96.646  4.76
   3      0.691  0.768  0.388     96.441  4.73
   #Sites = 22: output truncated to 3 sites

   Top 22 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #132 of 293 (TRIAL #26 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.248  0.412  0.558     76.448  4.44   0.0      2     94.541/    94.541
   2      0.692  0.823  0.771     75.954  4.32  26.7      2     93.768/    93.768
   3      0.691  0.768  0.388     75.403  4.73   9.5      2     96.441/    96.441
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #133 of 293 (TRIAL #27 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 174.50  39.82 171.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #134 of 293 (TRIAL #28 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  88.60  14.55 113.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #135 of 293 (TRIAL #29 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 182.02  40.58 148.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #136 of 293 (TRIAL #30 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  14.33  23.52 135.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #137 of 293 (TRIAL #31 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 228.52  25.25 222.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #138 of 293 (TRIAL #32 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 214.42  56.77 173.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #139 of 293 (TRIAL #33 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 125.58  40.88 160.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #140 of 293 (TRIAL #34 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 300.35  24.44  96.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.544  0.372  0.011     93.628  5.33
   2      0.044  0.872  0.011     93.628  5.33

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #140 of 293 (TRIAL #34 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.544  0.372  0.011     89.837  5.33   0.0      2     93.628/    93.628

   SET #1 of 8 TRIAL #141 of 293 (TRIAL #35 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  25.21  19.89 151.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #142 of 293 (TRIAL #36 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  31.14  25.21 134.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #143 of 293 (TRIAL #37 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 136.82  38.13 146.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #144 of 293 (TRIAL #38 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  37.74  34.38 143.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #145 of 293 (TRIAL #39 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  26.73  22.17 134.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #146 of 293 (TRIAL #40 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler   9.26  30.05 168.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.386  0.348  0.631     99.693  5.42
   2      0.886  0.848  0.631     99.693  5.42
   3      0.334  0.332  0.517     94.965  4.62
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #146 of 293 (TRIAL #40 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.497  0.333  0.862     79.028  4.51   0.0      2     94.329/    94.329
   2      0.886  0.848  0.631     70.954  5.42  30.6      2     99.693/    99.693

   SET #1 of 8 TRIAL #147 of 293 (TRIAL #41 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 261.47  30.96 211.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #148 of 293 (TRIAL #42 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 111.97  29.65 155.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 26 sites over 67.5% of top
   26 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.306  0.523  0.541     98.912  5.13
   2      0.806  0.023  0.541     98.912  5.13
   3      0.758  0.029  0.432     97.944  4.98
   #Sites = 26: output truncated to 3 sites

   Top 26 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #148 of 293 (TRIAL #42 of 187 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.346  0.513  0.663     80.769  4.81   0.0      2     96.875/    96.875
   2      0.804  0.354  0.928     78.707  4.30  30.7      2     93.641/    93.641
   3      0.737  0.025  0.431     77.576  4.95  13.0      4     97.792/    97.792
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #149 of 293 (TRIAL #43 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 191.68  46.97 185.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #150 of 293 (TRIAL #44 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 177.08  30.63 164.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.208  0.260  0.452     95.281  4.73
   2      0.708  0.760  0.452     95.281  4.73
   3      0.211  0.708  0.339     94.452  4.60
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #150 of 293 (TRIAL #44 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.687  0.830  0.453     77.027  4.42   0.0      2     93.373/    93.373
   2      0.139  0.788  0.464     76.859  4.53  13.3      2     94.020/    94.020
   3      0.157  0.077  0.611     73.516  4.43  18.3      2     93.417/    93.417
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #151 of 293 (TRIAL #45 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 251.76  23.30 178.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #152 of 293 (TRIAL #46 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 221.47  32.70 151.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.242  0.242  0.074     94.036  4.76
   2      0.742  0.742  0.074     94.036  4.76
   3      0.298  0.247  0.690     93.366  4.65
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #152 of 293 (TRIAL #46 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.298  0.247  0.690     74.911  4.65   0.0      2     93.366/    93.366
   2      0.242  0.242  0.074     69.008  4.76  28.0      2     94.036/    94.036

   SET #1 of 8 TRIAL #153 of 293 (TRIAL #47 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 224.30  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.218  0.150  0.464     95.399  4.82
   2      0.718  0.650  0.464     95.399  4.82

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #153 of 293 (TRIAL #47 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.718  0.650  0.464     66.716  4.82   0.0      2     95.399/    95.399

   SET #1 of 8 TRIAL #154 of 293 (TRIAL #48 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 301.69  18.21 173.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #155 of 293 (TRIAL #49 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 233.34  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.677  0.606  0.354     95.696  4.85
   2      0.177  0.106  0.354     95.696  4.85
   3      0.263  0.127  0.585     94.113  4.60
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #155 of 293 (TRIAL #49 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.763  0.627  0.585     74.481  4.60   0.0      2     94.113/    94.113
   2      0.230  0.128  0.469     68.955  4.40  12.5      4     92.829/    93.640
   3      0.177  0.106  0.354     68.534  4.85  12.2      2     95.696/    95.696

   SET #1 of 8 TRIAL #156 of 293 (TRIAL #50 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 120.33  37.14 144.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #157 of 293 (TRIAL #51 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 201.23  44.69 195.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #158 of 293 (TRIAL #52 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 156.31  53.76 154.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #159 of 293 (TRIAL #53 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  52.22  25.26 140.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.807  0.284  0.453     93.263  5.46
   2      0.307  0.784  0.453     93.263  5.46

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #159 of 293 (TRIAL #53 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.807  0.284  0.453     90.144  5.46   0.0      2     93.263/    93.263

   SET #1 of 8 TRIAL #160 of 293 (TRIAL #54 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 209.83  31.58 154.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.205  0.263  0.458     95.045  4.93
   2      0.705  0.763  0.458     95.045  4.93
   3      0.703  0.763  0.458     93.895  4.75
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #160 of 293 (TRIAL #54 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.297  0.242  0.688     70.987  4.72   0.0      2     93.695/    93.695
   2      0.705  0.763  0.458     70.546  4.93  14.6      4     95.045/    95.045

   SET #1 of 8 TRIAL #161 of 293 (TRIAL #55 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 247.47  49.99 190.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #162 of 293 (TRIAL #56 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 273.24  25.47 218.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #163 of 293 (TRIAL #57 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 186.87  43.84 170.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #164 of 293 (TRIAL #58 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 197.06  41.62 149.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #165 of 293 (TRIAL #59 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 116.19  13.91  85.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #166 of 293 (TRIAL #60 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 323.82  26.22 181.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #167 of 293 (TRIAL #61 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 237.79  44.84 165.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #168 of 293 (TRIAL #62 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 212.94  41.17 203.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #169 of 293 (TRIAL #63 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 249.99   7.32 233.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #170 of 293 (TRIAL #64 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  72.46  11.73 223.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #171 of 293 (TRIAL #65 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 156.33  58.35 154.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #172 of 293 (TRIAL #66 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 231.89  24.94 180.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #173 of 293 (TRIAL #67 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  17.83  18.41 140.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #174 of 293 (TRIAL #68 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 155.88  44.56 156.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #175 of 293 (TRIAL #69 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 316.39  19.88 167.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #176 of 293 (TRIAL #70 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 235.28  18.53 222.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #177 of 293 (TRIAL #71 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 179.04  34.85 174.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #178 of 293 (TRIAL #72 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 101.10  20.63 108.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #179 of 293 (TRIAL #73 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  89.46  21.31 150.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #180 of 293 (TRIAL #74 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 187.91  33.96 177.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #181 of 293 (TRIAL #75 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 305.88  28.56  99.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #182 of 293 (TRIAL #76 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 327.78  16.45 154.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #183 of 293 (TRIAL #77 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 107.12  15.92 103.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #184 of 293 (TRIAL #78 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 144.72  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.667  0.940  0.321     96.600  5.02
   2      0.167  0.440  0.321     96.600  5.02
   3      0.723  0.990  0.439     95.960  4.93
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #184 of 293 (TRIAL #78 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.253  0.441  0.556     77.351  4.75   0.0      2     94.839/    94.839
   2      0.667  0.940  0.321     74.545  5.02  13.5      2     96.600/    96.600
   3      0.700  0.949  0.441     70.166  4.82  12.5      2     95.234/    95.234
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #185 of 293 (TRIAL #79 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 270.08  26.84 178.93 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #186 of 293 (TRIAL #80 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 350.66  28.50 175.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #187 of 293 (TRIAL #81 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 260.48  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.703  0.558  0.359     96.266  5.23
   2      0.203  0.058  0.359     96.266  5.23
   3      0.731  0.423  0.421     92.704  4.67
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #187 of 293 (TRIAL #81 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.703  0.558  0.359     77.321  5.23   0.0      2     96.266/    96.266
   2      0.684  0.571  0.365     73.681  4.64   2.0      2     92.494/    92.494
   3      0.701  0.533  0.856     73.410  4.62  30.4      2     92.388/    92.388
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #188 of 293 (TRIAL #82 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 242.48  42.27 158.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #189 of 293 (TRIAL #83 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  63.72   9.03 130.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #190 of 293 (TRIAL #84 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 204.04  32.65 147.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.244  0.406  0.576     93.782  4.85
   2      0.744  0.906  0.576     93.782  4.85

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #190 of 293 (TRIAL #84 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.244  0.406  0.576     74.607  4.85   0.0      2     93.782/    93.782

   SET #1 of 8 TRIAL #191 of 293 (TRIAL #85 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 155.76  31.37 167.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #192 of 293 (TRIAL #86 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  78.45  33.72 128.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #193 of 293 (TRIAL #87 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  39.72  18.23 145.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #194 of 293 (TRIAL #88 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 101.41   5.37 211.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.233  0.448  0.102     98.836  6.74
   2      0.733  0.948  0.102     98.836  6.74
   3      0.234  0.451  0.106     97.122  6.43
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #194 of 293 (TRIAL #88 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.233  0.448  0.102     98.567  6.74   0.0      6     98.836/    98.836

   SET #1 of 8 TRIAL #195 of 293 (TRIAL #89 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 136.29  26.64 100.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #196 of 293 (TRIAL #90 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 332.66  23.05 182.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #197 of 293 (TRIAL #91 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  37.30  19.82 136.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #198 of 293 (TRIAL #92 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 346.74  19.55 178.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #199 of 293 (TRIAL #93 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 167.55  53.75 165.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #200 of 293 (TRIAL #94 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 167.91  39.89 143.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #201 of 293 (TRIAL #95 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 171.63  44.46 159.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #202 of 293 (TRIAL #96 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 153.28  48.44 147.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #203 of 293 (TRIAL #97 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 195.44  43.19 171.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #204 of 293 (TRIAL #98 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler   2.25  24.79 138.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #205 of 293 (TRIAL #99 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 176.17  40.47 144.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #206 of 293 (TRIAL #100 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 287.72  13.53  93.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.540  0.374  0.017     93.197  5.74
   2      0.040  0.874  0.017     93.197  5.74

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #206 of 293 (TRIAL #100 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.540  0.374  0.017     91.056  5.74   0.0      2     93.197/    93.197

   SET #1 of 8 TRIAL #207 of 293 (TRIAL #101 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 309.16  23.84 175.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.779  0.621  0.290     94.419  5.98
   2      0.279  0.121  0.290     94.419  5.98
   3      0.776  0.622  0.285     92.897  5.73
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #207 of 293 (TRIAL #101 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.279  0.121  0.290     91.185  5.98   0.0      4     94.419/    94.419

   SET #1 of 8 TRIAL #208 of 293 (TRIAL #102 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 245.35  32.16 155.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.678  0.634  0.353     97.153  5.45
   2      0.178  0.134  0.353     97.153  5.45
   3      0.264  0.134  0.584     93.459  4.88
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #208 of 293 (TRIAL #102 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.678  0.634  0.353     72.863  5.45   0.0      2     97.153/    97.153
   2      0.264  0.134  0.584     72.810  4.88  12.6      2     93.459/    93.459

   SET #1 of 8 TRIAL #209 of 293 (TRIAL #103 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 292.60  27.12 185.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #210 of 293 (TRIAL #104 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  55.87  17.13 138.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #211 of 293 (TRIAL #105 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 109.40  40.97 157.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #212 of 293 (TRIAL #106 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 238.05  35.85 175.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #213 of 293 (TRIAL #107 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 230.23  50.90 176.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #214 of 293 (TRIAL #108 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  79.48  24.02 131.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #215 of 293 (TRIAL #109 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 200.88  37.24 147.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #216 of 293 (TRIAL #110 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 278.57  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.274  0.042  0.478     96.377  5.11
   2      0.774  0.542  0.478     96.377  5.11
   3      0.704  0.548  0.367     95.411  4.96
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #216 of 293 (TRIAL #110 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.274  0.042  0.478     76.966  5.11   0.0      2     96.377/    96.377
   2      0.204  0.048  0.367     76.873  4.96   5.7      2     95.411/    95.411
   3      0.720  0.544  0.363     73.946  4.85  15.4      4     94.632/    94.632
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #217 of 293 (TRIAL #111 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 206.24  27.81 147.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.397  0.254  0.408     95.105  4.70
   2      0.897  0.754  0.408     95.105  4.70
   3      0.677  0.848  0.468     94.963  4.68
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #217 of 293 (TRIAL #111 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.397  0.254  0.408     71.793  4.70   0.0      2     95.105/    95.105
   2      0.228  0.345  0.587     68.486  4.53  24.7      2     94.062/    94.062
   3      0.779  0.783  0.196     66.811  4.66  32.5      2     94.858/    94.858
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #218 of 293 (TRIAL #112 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 296.66  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.746  0.542  0.374     96.117  5.04
   2      0.246  0.042  0.374     96.117  5.04
   3      0.747  0.503  0.874     95.486  4.94
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #218 of 293 (TRIAL #112 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.771  0.552  0.479     75.949  4.49   0.0      4     92.508/    95.475
   2      0.691  0.545  0.254     73.132  4.54  11.1      2     92.819/    92.819
   3      0.747  0.503  0.874     73.023  4.94  26.6      2     95.486/    95.486
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #219 of 293 (TRIAL #113 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 205.76  41.53 180.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #220 of 293 (TRIAL #114 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 199.46  39.03 167.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #221 of 293 (TRIAL #115 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  18.34  30.41 143.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #222 of 293 (TRIAL #116 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 192.58  29.43 173.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #223 of 293 (TRIAL #117 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 183.06  39.29 172.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #224 of 293 (TRIAL #118 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 359.14  23.34 175.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #225 of 293 (TRIAL #119 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 215.09  52.36 172.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #226 of 293 (TRIAL #120 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 159.77  34.09 132.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #227 of 293 (TRIAL #121 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 239.75  32.04 139.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 24 sites over 67.5% of top
   24 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.517  0.839  0.642     97.199  4.54
   2      0.017  0.339  0.642     97.199  4.54
   3      0.559  0.833  0.254     97.050  4.52
   #Sites = 24: output truncated to 3 sites

   Top 24 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #227 of 293 (TRIAL #121 of 187 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.278  0.791  0.798     69.242  4.13   0.0      2     94.687/    94.687
   2      0.993  0.825  0.691     66.607  4.26  22.6      2     95.500/    95.500
   3      0.762  0.780  0.028     65.111  4.40  13.8      2     96.324/    96.324
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #228 of 293 (TRIAL #122 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 206.00  55.36 156.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #229 of 293 (TRIAL #123 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 239.11  33.30 152.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.254  0.200  0.583     92.884  4.87
   2      0.754  0.700  0.583     92.884  4.87

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #229 of 293 (TRIAL #123 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.254  0.200  0.583     66.586  4.87   0.0      2     92.884/    92.884

   SET #1 of 8 TRIAL #230 of 293 (TRIAL #124 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 254.17  32.28 155.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.685  0.613  0.353     99.011  5.84
   2      0.185  0.113  0.353     99.011  5.84
   3      0.271  0.110  0.585     92.845  4.90
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #230 of 293 (TRIAL #124 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.185  0.113  0.353     77.728  5.84   0.0      2     99.011/    99.011
   2      0.771  0.610  0.585     72.319  4.90  12.3      2     92.845/    92.845
   3      0.670  0.623  0.361     67.536  4.71  18.2      2     91.660/    91.660

   SET #1 of 8 TRIAL #231 of 293 (TRIAL #125 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 338.49  31.76 176.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.436  0.245  0.064     92.391  5.24
   2      0.936  0.745  0.064     92.391  5.24

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #231 of 293 (TRIAL #125 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.936  0.745  0.064     79.702  5.24   0.0      2     92.391/    92.391

   SET #1 of 8 TRIAL #232 of 293 (TRIAL #126 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 239.95  24.37 161.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.268  0.535  0.731     94.177  5.11
   2      0.768  0.035  0.731     94.177  5.11

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #232 of 293 (TRIAL #126 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.768  0.035  0.731     83.954  5.11   0.0      2     94.177/    94.177

   SET #1 of 8 TRIAL #233 of 293 (TRIAL #127 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 216.50  28.41 146.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.683  0.800  0.474     94.576  4.71
   2      0.183  0.300  0.474     94.576  4.71
   3      0.279  0.290  0.698     94.381  4.68
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #233 of 293 (TRIAL #127 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.778  0.737  0.197     67.712  4.46   0.0      2     93.063/    93.063
   2      0.779  0.790  0.698     65.279  4.68  31.7      4     94.381/    94.381
   3      0.183  0.300  0.474     60.528  4.71  21.5      2     94.576/    94.576

   SET #1 of 8 TRIAL #234 of 293 (TRIAL #128 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 219.59  42.87 152.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #235 of 293 (TRIAL #129 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 180.65  53.22 173.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #236 of 293 (TRIAL #130 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 100.22  21.64 148.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #237 of 293 (TRIAL #131 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 287.62  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.286  0.040  0.481     95.920  5.09
   2      0.786  0.540  0.481     95.920  5.09
   3      0.714  0.547  0.368     94.748  4.91
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #237 of 293 (TRIAL #131 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.786  0.540  0.481     79.210  5.09   0.0      2     95.920/    95.920
   2      0.714  0.547  0.368     74.698  4.91   5.8      2     94.748/    94.748
   3      0.237  1.000  0.872     72.199  4.76  23.8      2     93.766/    93.766
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #238 of 293 (TRIAL #132 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 109.53  18.02 110.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #239 of 293 (TRIAL #133 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  81.49  35.66 216.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #240 of 293 (TRIAL #134 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 148.40  38.49 144.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #241 of 293 (TRIAL #135 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  46.89  28.60 167.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.320  0.484  0.533     96.778  5.24
   2      0.820  0.984  0.533     96.778  5.24
   3      0.426  0.487  0.761     95.210  4.99
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #241 of 293 (TRIAL #135 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.926  0.987  0.761     75.938  4.99   0.0      2     95.210/    95.210
   2      0.820  0.984  0.533     68.669  5.24  11.0      2     96.778/    96.778

   SET #1 of 8 TRIAL #242 of 293 (TRIAL #136 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 184.25  45.53 146.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #243 of 293 (TRIAL #137 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 197.82  37.77 178.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #244 of 293 (TRIAL #138 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 137.71  19.21  82.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #245 of 293 (TRIAL #139 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  85.32  24.50 101.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #246 of 293 (TRIAL #140 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  21.64  36.35 153.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 20 sites over 67.5% of top
   20 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.723  0.658  0.780     99.596  5.44
   2      0.223  0.158  0.780     99.596  5.44
   3      0.519  0.295  0.513     96.765  4.98
   #Sites = 20: output truncated to 3 sites

   Top 20 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #246 of 293 (TRIAL #140 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.019  0.795  0.513     90.023  4.98   0.0      4     96.765/    96.765
   2      0.723  0.658  0.780     77.467  5.44  35.8      2     99.596/    99.596
   3      0.725  0.140  0.967     76.807  4.54  28.1      2     94.105/    94.105

   SET #1 of 8 TRIAL #247 of 293 (TRIAL #141 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 352.30  26.06 178.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #248 of 293 (TRIAL #142 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 153.97  41.28 171.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #249 of 293 (TRIAL #143 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  56.20  37.09 156.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.772  0.794  0.897     95.064  4.89
   2      0.272  0.294  0.897     95.064  4.89
   3      0.666  0.791  0.168     93.476  4.64
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #249 of 293 (TRIAL #143 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.666  0.791  0.168     71.735  4.64   0.0      2     93.476/    93.476
   2      0.272  0.294  0.897     67.622  4.89  14.8      2     95.064/    95.064

   SET #1 of 8 TRIAL #250 of 293 (TRIAL #144 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 217.31  43.59 168.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #251 of 293 (TRIAL #145 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 179.51  44.54 160.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #252 of 293 (TRIAL #146 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  30.02  47.21 198.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.249  0.443  0.011     92.355  5.84
   2      0.749  0.943  0.011     92.355  5.84

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #252 of 293 (TRIAL #146 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.749  0.943  0.011     89.826  5.84   0.0      2     92.355/    92.355

   SET #1 of 8 TRIAL #253 of 293 (TRIAL #147 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler   7.04  35.91 152.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.718  0.594  0.778     95.829  4.91
   2      0.218  0.094  0.778     95.829  4.91
   3      0.715  0.592  0.772     95.425  4.85
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #253 of 293 (TRIAL #147 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.218  0.094  0.778     75.000  4.91   0.0      4     95.829/    95.829
   2      0.824  0.034  0.001     70.313  4.62  16.9      2     93.999/    93.999
   3      0.772  0.608  0.884     69.442  4.61  44.1      2     93.970/    93.970
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #254 of 293 (TRIAL #148 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 334.25  37.54 157.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 22 sites over 67.5% of top
   22 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.743  0.658  0.267     98.141  5.05
   2      0.243  0.158  0.267     98.141  5.05
   3      0.281  0.163  0.497     98.014  5.03
   #Sites = 22: output truncated to 3 sites

   Top 22 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #254 of 293 (TRIAL #148 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.719  0.499  0.101     75.731  4.42   0.0      2     94.174/    94.174

   SET #1 of 8 TRIAL #255 of 293 (TRIAL #149 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 231.35  34.10 182.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #256 of 293 (TRIAL #150 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 312.62  35.97 173.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #257 of 293 (TRIAL #151 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 200.50  39.00 204.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #258 of 293 (TRIAL #152 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 227.93  43.23 153.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #259 of 293 (TRIAL #153 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 325.91  37.44 156.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.717  0.658  0.373     97.524  5.07
   2      0.217  0.158  0.373     97.524  5.07
   3      0.769  0.652  0.488     96.902  4.97
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #259 of 293 (TRIAL #153 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.679  0.653  0.254     64.221  4.53   0.0      2     94.112/    94.112
   2      0.275  0.150  0.497     63.692  4.75  17.9      4     95.525/    96.902
   3      0.738  0.640  0.266     59.917  4.97   5.0      2     96.880/    96.880
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #260 of 293 (TRIAL #154 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 165.07  48.82 125.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #261 of 293 (TRIAL #155 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  78.88  19.01 132.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #262 of 293 (TRIAL #156 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 283.33   5.78 208.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #263 of 293 (TRIAL #157 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 258.34  41.84 197.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #264 of 293 (TRIAL #158 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 274.41  29.32 185.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #265 of 293 (TRIAL #159 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 254.08  32.64 209.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #266 of 293 (TRIAL #160 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 309.15   9.01 183.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #267 of 293 (TRIAL #161 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 223.67  39.65 202.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #268 of 293 (TRIAL #162 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 300.13  11.88 183.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #269 of 293 (TRIAL #163 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 152.32  24.67 141.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #270 of 293 (TRIAL #164 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 276.83  11.49 197.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #271 of 293 (TRIAL #165 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 359.71  33.03 159.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.374  0.214  0.624     96.194  5.41
   2      0.874  0.714  0.624     96.194  5.41
   3      0.336  0.199  0.391     93.995  5.07
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #271 of 293 (TRIAL #165 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.874  0.714  0.624     73.906  5.41   0.0      2     96.194/    96.194
   2      0.836  0.699  0.391     67.453  5.07  12.8      2     93.995/    93.995

   SET #1 of 8 TRIAL #272 of 293 (TRIAL #166 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 137.84  32.06 167.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #273 of 293 (TRIAL #167 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 247.18  41.20 187.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #274 of 293 (TRIAL #168 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  15.49  12.04 160.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #275 of 293 (TRIAL #169 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 253.29  30.34 146.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.652  0.644  0.361     100.41  5.74
   2      0.152  0.144  0.361     100.41  5.74
   3      0.655  0.645  0.364      93.89  4.74
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #275 of 293 (TRIAL #169 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.652  0.644  0.361     68.755  5.74   0.0      4     100.41/    100.41
   2      0.154  0.989  0.861     64.891  4.49  30.2      2      92.32/     92.32

   SET #1 of 8 TRIAL #276 of 293 (TRIAL #170 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 279.69  26.02 178.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.790  0.529  0.390     91.235  5.63
   2      0.290  0.029  0.390     91.235  5.63

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #276 of 293 (TRIAL #170 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.290  0.029  0.390     81.277  5.63   0.0      2     91.235/    91.235

   SET #1 of 8 TRIAL #277 of 293 (TRIAL #171 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 339.28  19.46 161.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #278 of 293 (TRIAL #172 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 156.16  49.16 155.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #279 of 293 (TRIAL #173 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 142.83  27.36 131.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #280 of 293 (TRIAL #174 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 140.46  46.60 141.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #281 of 293 (TRIAL #175 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 302.14  32.30 186.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #282 of 293 (TRIAL #176 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 332.62   8.61 197.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #283 of 293 (TRIAL #177 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 141.37  61.89 148.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #284 of 293 (TRIAL #178 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 277.59  30.45 204.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #285 of 293 (TRIAL #179 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 231.69  43.19 184.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #286 of 293 (TRIAL #180 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  52.39  32.73 161.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.315  0.398  0.524     93.765  5.00
   2      0.815  0.898  0.524     93.765  5.00

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #286 of 293 (TRIAL #180 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.815  0.898  0.524     67.765  5.00   0.0      2     93.765/    93.765

   SET #1 of 8 TRIAL #287 of 293 (TRIAL #181 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 167.05  44.48 143.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #288 of 293 (TRIAL #182 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 236.55  23.20 184.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #289 of 293 (TRIAL #183 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 330.88  20.05 142.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #290 of 293 (TRIAL #184 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 350.15  30.73 150.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.813  0.607  0.503     93.689  5.23
   2      0.313  0.107  0.503     93.689  5.23
   3      0.370  0.085  0.622     93.233  5.16
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #290 of 293 (TRIAL #184 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.370  0.085  0.622     72.052  5.16   0.0      2     93.233/    93.233
   2      0.813  0.607  0.503     70.606  5.23  17.5      2     93.689/    93.689
   3      0.888  0.580  0.627     66.965  5.03  21.7      2     92.415/    92.415

   SET #1 of 8 TRIAL #291 of 293 (TRIAL #185 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 177.00  49.04 164.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #292 of 293 (TRIAL #186 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 341.63  23.11 140.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #293 of 293 (TRIAL #187 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 234.05  22.83 148.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.252  0.117  0.598     94.361  4.60
   2      0.752  0.617  0.598     94.361  4.60

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #293 of 293 (TRIAL #187 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.752  0.617  0.598     56.012  4.60   0.0      2     94.361/    94.361

---------------------------------
DEEP TRANSLATION FUNCTION #2 OF 8
---------------------------------

   181 trial orientations in deep search

   SOLU SET  RFZ=4.7 TFZ=3.8 PAK=0 LLG=59
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER   39.7   32.0  181.3 FRAC -0.20  0.03 -0.08 BFAC -10.38
   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   88.6 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   88.5 RFZ  4.00

   SOLU TRIAL ENSEMBLE helix_pdb EULER   51.869   24.857  151.761 RF   88.1 RFZ  3.96

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   87.6 RFZ  3.90

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.535   25.925  148.923 RF   87.2 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   86.9 RFZ  3.83

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   86.8 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   86.7 RFZ  3.81

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   86.6 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.424   24.033  161.846 RF   86.4 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.201   26.601  163.128 RF   86.4 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   86.2 RFZ  3.76

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   86.2 RFZ  3.76

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   86.1 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   86.0 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   85.5 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   85.5 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   85.5 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   85.3 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   85.3 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   85.2 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   85.1 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   85.0 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   84.9 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   84.8 RFZ  3.61

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   84.8 RFZ  3.61

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   84.7 RFZ  3.61

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   84.7 RFZ  3.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   84.7 RFZ  3.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   84.7 RFZ  3.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   84.5 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   84.5 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   84.5 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   84.2 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   84.1 RFZ  3.54

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   84.0 RFZ  3.53

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   83.9 RFZ  3.52

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   83.9 RFZ  3.52

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   83.8 RFZ  3.51

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   83.8 RFZ  3.50

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   83.7 RFZ  3.50

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   83.5 RFZ  3.48

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   83.5 RFZ  3.48

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   83.4 RFZ  3.47

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   83.3 RFZ  3.46

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   83.1 RFZ  3.43

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   82.8 RFZ  3.41

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   82.6 RFZ  3.38

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   82.5 RFZ  3.38

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   82.4 RFZ  3.37

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   82.4 RFZ  3.36

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   82.4 RFZ  3.36

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   82.3 RFZ  3.35

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   82.3 RFZ  3.35

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   82.3 RFZ  3.35

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   82.1 RFZ  3.33

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   82.1 RFZ  3.33

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   82.1 RFZ  3.33

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   82.1 RFZ  3.33

   SOLU TRIAL ENSEMBLE helix_pdb EULER   29.925   26.470  156.022 RF   81.6 RFZ  3.27

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   81.5 RFZ  3.27

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   81.5 RFZ  3.27

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.619   48.334  196.267 RF   81.5 RFZ  3.27

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   81.5 RFZ  3.26

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   81.4 RFZ  3.26

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   81.4 RFZ  3.25

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   81.3 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   81.3 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   81.3 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   81.3 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.203   35.142  161.594 RF   81.2 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   81.2 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   81.2 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   80.9 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  131.617   36.655  164.234 RF   80.7 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   80.7 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   80.7 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.087   47.928  196.726 RF   80.7 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.853   49.425  194.168 RF   80.6 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   80.6 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.844   29.075  162.258 RF   80.4 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   80.3 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   74.017   36.083  212.756 RF   80.2 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   80.2 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   80.1 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.649   35.266  161.001 RF   80.1 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.453   21.186  136.283 RF   79.9 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   79.9 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.771   36.460  172.722 RF   79.9 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   82.174   32.079  212.797 RF   79.9 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.561   28.504  159.572 RF   79.9 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.791   30.761  150.363 RF   79.8 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   38.861   16.401  156.062 RF   79.7 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.078   44.065  153.168 RF   79.7 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  139.502   30.142  154.811 RF   79.6 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.302   50.743  192.838 RF   79.6 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.732   40.369  165.315 RF   79.6 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.047   28.565  158.082 RF   79.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.388   40.196  156.612 RF   79.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.279   27.013  139.028 RF   79.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.614   52.183  186.085 RF   79.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.683   28.520  158.446 RF   79.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.227   45.283  158.453 RF   79.4 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   79.4 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.275   54.297  181.356 RF   79.3 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  147.239   28.399  136.646 RF   79.3 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   21.857   46.476  196.197 RF   79.3 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.791   32.132  146.853 RF   79.3 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.398   57.665  177.443 RF   79.2 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   12.483   21.810  155.358 RF   79.2 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   49.289   33.293  141.902 RF   79.2 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.262   28.939  129.773 RF   79.2 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   88.596   14.547  113.772 RF   79.1 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.306   29.978  154.977 RF   79.1 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  137.940   55.679  141.632 RF   79.1 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.743   34.377  143.791 RF   79.1 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   79.0 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.560   45.317  156.800 RF   79.0 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  210.850   39.450  164.662 RF   79.0 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  353.579   30.665  168.047 RF   78.9 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  108.160   30.031  138.942 RF   78.9 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.387   20.578  161.440 RF   78.9 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.105   29.162  138.969 RF   78.9 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  193.405   46.199  192.801 RF   78.9 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.581   30.297  164.048 RF   78.8 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   78.8 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.350   24.444   96.617 RF   78.8 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.303   26.896  133.601 RF   78.7 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.110   30.878  154.447 RF   78.7 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.257   30.048  168.017 RF   78.5 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.674   29.315  136.354 RF   78.5 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  214.423   56.768  173.963 RF   78.5 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.974   29.645  155.250 RF   78.5 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.474   32.698  151.429 RF   78.4 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.760   41.761  152.978 RF   78.4 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.182   36.981  179.693 RF   78.4 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.583   40.879  160.397 RF   78.4 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.526   31.131  133.953 RF   78.3 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.278   40.307  158.593 RF   78.2 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   14.334   23.518  135.651 RF   78.2 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  201.232   44.691  195.382 RF   78.2 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.308   53.759  154.829 RF   78.2 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.138   25.215  134.276 RF   78.1 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.765   26.601  136.983 RF   78.1 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  177.081   30.634  164.104 RF   78.1 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.768   30.768  159.195 RF   78.1 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.500   39.817  171.071 RF   78.1 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.705   28.038  181.965 RF   78.0 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.862   32.433  178.320 RF   78.0 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  261.465   30.958  211.704 RF   77.9 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.296   30.768  159.195 RF   77.9 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.828   31.579  154.758 RF   77.8 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.820   38.127  146.797 RF   77.8 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.460   21.314  150.409 RF   77.7 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.463   11.731  223.636 RF   77.7 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  212.936   41.167  203.145 RF   77.6 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  273.241   25.466  218.527 RF   77.6 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   25.214   19.891  151.386 RF   77.5 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  182.024   40.582  148.556 RF   77.5 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  233.342   30.768  159.195 RF   77.5 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  186.873   43.841  170.156 RF   77.5 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  218.966   34.600  185.712 RF   77.4 RFZ  2.84 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  249.985    7.323  233.307 RF   77.3 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.036   32.648  147.192 RF   77.3 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.724    9.032  130.621 RF   77.3 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  116.193   13.908   85.859 RF   77.3 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  251.757   23.300  178.313 RF   77.3 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.035   34.851  174.050 RF   77.2 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.335   58.354  154.199 RF   77.2 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  305.879   28.560   99.448 RF   77.1 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   26.727   22.173  134.486 RF   77.1 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.224   25.260  140.714 RF   77.1 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.414    5.368  211.612 RF   77.0 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.724   13.530   93.504 RF   77.0 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   17.831   18.414  140.969 RF   76.9 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.664   28.496  175.086 RF   76.9 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  120.330   37.137  144.780 RF   76.8 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.583   29.426  173.150 RF   76.8 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.762   31.367  167.872 RF   76.8 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.876   44.557  156.213 RF   76.8 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  301.686   18.210  172.997 RF   76.8 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.392   19.880  167.093 RF   76.7 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  323.822   26.217  181.423 RF   76.7 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  187.914   33.960  177.620 RF   76.7 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  237.787   44.836  165.264 RF   76.7 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  235.281   18.530  222.803 RF   76.5 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.483   42.272  158.790 RF   76.5 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.722   30.768  159.195 RF   76.4 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.749   32.036  139.851 RF   76.3 RFZ  2.73 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  167.554   53.753  165.358 RF   76.3 RFZ  2.73 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   78.454   33.718  128.610 RF   76.3 RFZ  2.73 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  107.121   15.923  103.954 RF   76.3 RFZ  2.72 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    2.250   24.787  138.003 RF   76.3 RFZ  2.72 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  109.395   40.969  157.891 RF   76.2 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  230.234   50.904  176.489 RF   76.2 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  306.520   14.352   74.543 RF   76.1 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.868   17.129  138.121 RF   76.1 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.488   35.661  216.142 RF   76.1 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.109   33.304  152.137 RF   76.1 RFZ  2.70 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  215.092   52.358  172.249 RF   76.1 RFZ  2.70 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   39.722   18.231  145.587 RF   76.0 RFZ  2.70 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.664   30.768  159.195 RF   76.0 RFZ  2.69 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.480   30.768  159.195 RF   75.9 RFZ  2.69 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  327.778   16.454  154.763 RF   75.9 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.021   47.206  198.816 RF   75.9 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.664   23.050  182.201 RF   75.9 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.095   20.634  108.809 RF   75.9 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  270.077   26.844  178.929 RF   75.8 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.592   42.873  152.005 RF   75.8 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  200.885   37.243  147.962 RF   75.8 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   18.341   30.410  143.145 RF   75.8 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  263.507   21.063  136.319 RF   75.8 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  100.219   21.636  148.565 RF   75.8 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.242   27.811  147.025 RF   75.8 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  171.632   44.458  159.325 RF   75.8 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.893   24.939  180.164 RF   75.6 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  199.461   39.034  167.248 RF   75.6 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   64.513   16.068  223.409 RF   75.6 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  180.647   53.219  173.617 RF   75.5 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.059   39.286  172.292 RF   75.5 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  278.572   30.768  159.195 RF   75.5 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  359.138   23.339  175.345 RF   75.5 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.443   43.194  171.864 RF   75.4 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.299   19.821  136.813 RF   75.4 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   46.892   28.603  167.417 RF   75.4 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   21.642   36.352  153.484 RF   75.4 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.201   37.089  156.639 RF   75.4 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  109.534   18.020  110.510 RF   75.4 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.618   30.768  159.195 RF   75.3 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.820   37.772  178.440 RF   75.3 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.311   43.587  168.237 RF   75.3 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  205.995   55.362  156.266 RF   75.3 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  338.494   31.758  176.517 RF   75.3 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  167.913   39.885  143.186 RF   75.2 RFZ  2.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  245.347   32.164  155.672 RF   75.2 RFZ  2.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    7.035   35.908  152.205 RF   75.1 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  312.617   35.970  173.606 RF   75.1 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.946   24.365  161.788 RF   75.1 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.129   11.878  183.406 RF   75.1 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.170   40.468  144.627 RF   75.1 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.930   43.233  153.410 RF   75.1 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  216.502   28.412  146.594 RF   75.1 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.049   35.847  175.245 RF   75.0 RFZ  2.59 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  325.907   37.435  156.554 RF   75.0 RFZ  2.59 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  283.334    5.776  208.816 RF   74.9 RFZ  2.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.968   41.276  171.853 RF   74.9 RFZ  2.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  334.249   37.540  157.424 RF   74.9 RFZ  2.58 # DEEP

   Scoring 741 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #2 of 8
   0%          100%
   |============| DONE

   Mean Score (Sigma):       38.98   (10.73)

   SET #2 of 8 TRIAL #67 of 247 (TRIAL #1 of 181 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 232.62  37.51 171.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.694  0.685  0.430     93.496  5.28
   2      0.194  0.185  0.430     93.496  5.28
   3      0.694  0.162  0.288     92.059  5.04
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #67 of 247 (TRIAL #1 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.694  0.685  0.430     87.451  5.28   0.0      2     93.496/    93.496
   2      0.694  0.162  0.288     79.872  5.04  14.5      2     92.059/    92.059

   SET #2 of 8 TRIAL #68 of 247 (TRIAL #2 of 181 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 221.27  34.97 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.322  0.665  0.529     94.577  5.03
   2      0.822  0.165  0.529     94.577  5.03

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #68 of 247 (TRIAL #2 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.322  0.665  0.529     84.648  5.03   0.0      2     94.577/    94.577

   SET #2 of 8 TRIAL #69 of 247 (TRIAL #3 of 181 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 165.48  35.57 167.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.688  0.777  0.518     96.638  5.25
   2      0.188  0.277  0.518     96.638  5.25
   3      0.684  0.774  0.512     95.619  5.08
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #69 of 247 (TRIAL #3 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.688  0.777  0.518     91.605  5.25   0.0      4     96.638/    96.638

   SET #2 of 8 TRIAL #70 of 247 (TRIAL #4 of 181 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler  42.56  32.81 151.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.551  0.707  0.406     95.477  4.70
   2      0.051  0.207  0.406     95.477  4.70
   3      0.549  0.169  0.406     93.712  4.41
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #70 of 247 (TRIAL #4 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.549  0.169  0.406     69.396  4.41   0.0      2     93.712/    93.712
   2      0.051  0.207  0.406     67.052  4.70  30.6      2     95.477/    95.477

   SET #2 of 8 TRIAL #71 of 247 (TRIAL #5 of 181 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 204.20  35.14 161.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #72 of 247 (TRIAL #6 of 181 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler  27.07  27.83 147.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.369  0.585  0.520     98.284  5.64
   2      0.869  0.085  0.520     98.284  5.64
   3      0.846  0.241  0.464     92.788  4.74
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #72 of 247 (TRIAL #6 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.869  0.085  0.520     76.737  5.64   0.0      2     98.284/    98.284
   2      0.901  0.217  0.583     71.880  4.72   4.4      2     92.672/    92.672

   SET #2 of 8 TRIAL #73 of 247 (TRIAL #7 of 181 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 174.84  35.22 168.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.687  0.746  0.520     98.793  5.73
   2      0.187  0.246  0.520     98.793  5.73
   3      0.684  0.745  0.516     95.839  5.24
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #73 of 247 (TRIAL #7 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.687  0.746  0.520     96.919  5.73   0.0      4     98.793/    98.793

   SET #2 of 8 TRIAL #74 of 247 (TRIAL #8 of 181 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 248.54  40.68 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #75 of 247 (TRIAL #9 of 181 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 131.62  36.65 164.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #76 of 247 (TRIAL #10 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 163.57  39.98 158.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #77 of 247 (TRIAL #11 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 155.42  39.96 157.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #78 of 247 (TRIAL #12 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  63.09  47.93 196.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #79 of 247 (TRIAL #13 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  55.85  49.43 194.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #80 of 247 (TRIAL #14 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  10.94  21.02 165.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #81 of 247 (TRIAL #15 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 266.84  29.07 162.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.747  0.034  0.425     99.510  5.49
   2      0.247  0.534  0.425     99.510  5.49
   3      0.297  0.568  0.541     95.529  4.86
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #81 of 247 (TRIAL #15 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.247  0.534  0.425     82.859  5.49   0.0      2     99.510/    99.510
   2      0.797  0.068  0.541     76.312  4.86  12.5      2     95.529/    95.529
   3      0.818  0.490  0.981     74.821  4.67  22.3      2     94.342/    94.342

   SET #2 of 8 TRIAL #82 of 247 (TRIAL #16 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 260.28  37.31 170.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #83 of 247 (TRIAL #17 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  74.02  36.08 212.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #84 of 247 (TRIAL #18 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  60.80  26.59 129.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #85 of 247 (TRIAL #19 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 352.12  21.60 169.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #86 of 247 (TRIAL #20 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 195.65  35.27 161.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.691  0.274  0.390     92.333  4.88
   2      0.191  0.774  0.390     92.333  4.88

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #86 of 247 (TRIAL #20 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.191  0.774  0.390     70.847  4.88   0.0      2     92.333/    92.333

   SET #2 of 8 TRIAL #87 of 247 (TRIAL #21 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  84.45  21.19 136.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #88 of 247 (TRIAL #22 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 207.91  27.89 176.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.248  0.051  0.672     94.254  5.30
   2      0.748  0.551  0.672     94.254  5.30
   3      0.243  0.052  0.665     94.242  5.29
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #88 of 247 (TRIAL #22 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.743  0.552  0.665     92.702  5.29   0.0      4     94.242/    94.254
   2      0.603  0.972  0.310     79.735  5.02  20.0      2     92.677/    92.677

   SET #2 of 8 TRIAL #89 of 247 (TRIAL #23 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 276.77  36.46 172.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #90 of 247 (TRIAL #24 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  82.17  32.08 212.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #91 of 247 (TRIAL #25 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 341.56  28.50 159.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.359  0.660  0.568     93.157  4.72
   2      0.859  0.160  0.568     93.157  4.72

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #91 of 247 (TRIAL #25 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.859  0.160  0.568     74.165  4.72   0.0      2     93.157/    93.157

   SET #2 of 8 TRIAL #92 of 247 (TRIAL #26 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 170.79  30.76 150.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.459  0.552  0.445     97.140  5.08
   2      0.959  0.052  0.445     97.140  5.08
   3      0.262  0.418  0.944     95.623  4.84
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #92 of 247 (TRIAL #26 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.762  0.918  0.944     76.392  4.84   0.0      2     95.623/    95.623
   2      0.959  0.052  0.445     76.116  5.08  24.6      2     97.140/    97.140
   3      0.764  0.491  0.944     71.691  4.42  10.2      2     93.039/    93.039

   SET #2 of 8 TRIAL #93 of 247 (TRIAL #27 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  38.86  16.40 156.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #94 of 247 (TRIAL #28 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 140.08  44.06 153.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #95 of 247 (TRIAL #29 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 139.50  30.14 154.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.705  0.533  0.377     100.76  5.46
   2      0.205  0.033  0.377     100.76  5.46
   3      0.471  0.888  0.435      96.17  4.75
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #95 of 247 (TRIAL #29 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.471  0.888  0.435     74.409  4.75   0.0      4     96.166/    96.166
   2      0.705  0.533  0.377     72.860  5.46  25.6      4    100.761/   100.761
   3      0.975  0.095  0.433     72.752  4.45  42.7      2     94.182/    94.182
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #96 of 247 (TRIAL #30 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 194.30  50.74 192.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #97 of 247 (TRIAL #31 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 264.73  40.37 165.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #98 of 247 (TRIAL #32 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  19.05  28.56 158.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.392  0.781  0.466     96.335  5.24
   2      0.892  0.281  0.466     96.335  5.24
   3      0.386  0.779  0.457     92.675  4.67
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #98 of 247 (TRIAL #32 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.392  0.781  0.466     76.205  5.24   0.0      4     96.335/    96.335

   SET #2 of 8 TRIAL #99 of 247 (TRIAL #33 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 183.39  40.20 156.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #100 of 247 (TRIAL #34 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  31.28  27.01 139.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #101 of 247 (TRIAL #35 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 232.61  52.18 186.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #102 of 247 (TRIAL #36 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler   9.68  28.52 158.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.393  0.748  0.465     94.384  4.89
   2      0.893  0.248  0.465     94.384  4.89

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #102 of 247 (TRIAL #36 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.393  0.748  0.465     73.982  4.89   0.0      2     94.384/    94.384

   SET #2 of 8 TRIAL #103 of 247 (TRIAL #37 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 206.23  45.28 158.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #104 of 247 (TRIAL #38 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  34.98  58.45 174.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.572  0.093  0.923     92.091  5.43
   2      0.072  0.593  0.923     92.091  5.43
   3      0.574  0.093  0.927     91.889  5.40
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #104 of 247 (TRIAL #38 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.072  0.593  0.923     90.531  5.43   0.0      4     92.091/    92.091

   SET #2 of 8 TRIAL #105 of 247 (TRIAL #39 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 227.28  54.30 181.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #106 of 247 (TRIAL #40 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 147.24  28.40 136.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #107 of 247 (TRIAL #41 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  21.86  46.48 196.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.301  0.974  0.057     92.201  5.56
   2      0.801  0.474  0.057     92.201  5.56

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #107 of 247 (TRIAL #41 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.801  0.474  0.057     92.217  5.56   0.0      2     92.201/    92.201

   SET #2 of 8 TRIAL #108 of 247 (TRIAL #42 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 194.79  32.13 146.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.252  0.368  0.949     94.927  4.90
   2      0.752  0.868  0.949     94.927  4.90
   3      0.252  0.939  0.950     94.593  4.85
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #108 of 247 (TRIAL #42 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.752  0.439  0.950     73.563  4.85   0.0      2     94.593/    94.593
   2      0.252  0.368  0.949     73.029  4.90  46.1      2     94.927/    94.927
   3      0.217  0.943  0.518     72.018  4.59  33.8      4     93.051/    93.541

   SET #2 of 8 TRIAL #109 of 247 (TRIAL #43 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  42.40  57.67 177.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #110 of 247 (TRIAL #44 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  12.48  21.81 155.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #111 of 247 (TRIAL #45 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  49.29  33.29 141.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #112 of 247 (TRIAL #46 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  79.26  28.94 129.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #113 of 247 (TRIAL #47 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  88.60  14.55 113.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #114 of 247 (TRIAL #48 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 130.31  29.98 154.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.715  0.547  0.376     100.32  5.54
   2      0.215  0.047  0.376     100.32  5.54
   3      0.480  0.898  0.433      95.39  4.79
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #114 of 247 (TRIAL #48 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.292  0.887  0.551     74.121  4.49   0.0      2     93.464/    93.464
   2      0.980  0.398  0.433     72.716  4.79  27.3      2     95.389/    95.389
   3      0.215  0.047  0.376     71.440  5.54   9.3      4    100.316/   100.316
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #115 of 247 (TRIAL #49 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 137.94  55.68 141.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #116 of 247 (TRIAL #50 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  37.74  34.38 143.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #117 of 247 (TRIAL #51 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 224.30  30.75 179.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #118 of 247 (TRIAL #52 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 197.56  45.32 156.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #119 of 247 (TRIAL #53 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 210.85  39.45 164.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #120 of 247 (TRIAL #54 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 353.58  30.67 168.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.488  0.344  0.276     93.784  4.77
   2      0.988  0.844  0.276     93.784  4.77
   3      0.489  0.420  0.276     93.520  4.72
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #120 of 247 (TRIAL #54 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.988  0.844  0.276     70.089  4.77   0.0      2     93.784/    93.784
   2      0.489  0.420  0.276     69.025  4.72  35.8      2     93.520/    93.520

   SET #2 of 8 TRIAL #121 of 247 (TRIAL #55 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 108.16  30.03 138.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #122 of 247 (TRIAL #56 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 285.39  20.58 161.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #123 of 247 (TRIAL #57 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  99.11  29.16 138.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #124 of 247 (TRIAL #58 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 193.41  46.20 192.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #125 of 247 (TRIAL #59 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 192.58  30.30 164.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.670  0.732  0.531     96.493  5.23
   2      0.170  0.232  0.531     96.493  5.23

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #125 of 247 (TRIAL #59 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.670  0.732  0.531     86.084  5.23   0.0      2     96.493/    96.493

   SET #2 of 8 TRIAL #126 of 247 (TRIAL #60 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 207.45  29.35 167.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.229  0.148  0.651     100.60  6.18
   2      0.729  0.648  0.651     100.60  6.18
   3      0.679  0.626  0.536      95.45  5.32
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #126 of 247 (TRIAL #60 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.729  0.648  0.651     95.572  6.18   0.0      2     100.60/    100.60
   2      0.179  0.126  0.536     84.403  5.32  21.7      2      95.45/     95.45

   SET #2 of 8 TRIAL #127 of 247 (TRIAL #61 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 300.35  24.44  96.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.581  0.899  0.061     92.302  5.41
   2      0.081  0.399  0.061     92.302  5.41

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #127 of 247 (TRIAL #61 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.081  0.399  0.061     92.236  5.41   0.0      2     92.302/    92.302

   SET #2 of 8 TRIAL #128 of 247 (TRIAL #62 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  47.30  26.90 133.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #129 of 247 (TRIAL #63 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 176.11  30.88 154.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #130 of 247 (TRIAL #64 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler   9.26  30.05 168.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.393  0.307  0.010     93.075  4.59
   2      0.893  0.807  0.010     93.075  4.59

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #130 of 247 (TRIAL #64 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.393  0.307  0.010     74.024  4.59   0.0      2     93.075/    93.075

   SET #2 of 8 TRIAL #131 of 247 (TRIAL #65 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 156.67  29.32 136.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #132 of 247 (TRIAL #66 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 214.42  56.77 173.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #133 of 247 (TRIAL #67 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 111.97  29.65 155.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.736  0.551  0.375     94.164  4.69
   2      0.236  0.051  0.375     94.164  4.69
   3      0.313  0.060  0.600     94.105  4.68
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #133 of 247 (TRIAL #67 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.313  0.060  0.600     74.829  4.68   0.0      2     94.105/    94.105
   2      0.783  0.530  0.485     73.392  4.62  13.1      2     93.711/    93.711
   3      0.736  0.551  0.375     71.693  4.69  13.0      4     94.164/    94.164
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #134 of 247 (TRIAL #68 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 221.47  32.70 151.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.668  0.302  0.407     93.054  4.88
   2      0.168  0.802  0.407     93.054  4.88

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #134 of 247 (TRIAL #68 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.668  0.302  0.407     70.665  4.88   0.0      2     93.054/    93.054

   SET #2 of 8 TRIAL #135 of 247 (TRIAL #69 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 209.76  41.76 152.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #136 of 247 (TRIAL #70 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 206.18  36.98 179.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #137 of 247 (TRIAL #71 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 125.58  40.88 160.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #138 of 247 (TRIAL #72 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  84.53  31.13 133.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #139 of 247 (TRIAL #73 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 197.28  40.31 158.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #140 of 247 (TRIAL #74 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  14.33  23.52 135.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #141 of 247 (TRIAL #75 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 201.23  44.69 195.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #142 of 247 (TRIAL #76 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 156.31  53.76 154.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #143 of 247 (TRIAL #77 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  31.14  25.21 134.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #144 of 247 (TRIAL #78 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 128.76  26.60 136.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #145 of 247 (TRIAL #79 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 177.08  30.63 164.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.669  0.801  0.529     93.009  4.68
   2      0.169  0.301  0.529     93.009  4.68

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #145 of 247 (TRIAL #79 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.669  0.801  0.529     80.900  4.68   0.0      2     93.009/    93.009

   SET #2 of 8 TRIAL #146 of 247 (TRIAL #80 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 153.77  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.225  0.932  0.504     93.145  4.56
   2      0.725  0.432  0.504     93.145  4.56
   3      0.691  0.433  0.387     93.137  4.56
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #146 of 247 (TRIAL #80 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.161  0.783  0.322     72.133  4.52   0.0      2     92.889/    92.889
   2      0.725  0.432  0.504     66.507  4.56  12.3      2     93.145/    93.145

   SET #2 of 8 TRIAL #147 of 247 (TRIAL #81 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 174.50  39.82 171.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.708  0.702  0.519     93.788  5.98
   2      0.208  0.202  0.519     93.788  5.98

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #147 of 247 (TRIAL #81 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.208  0.202  0.519     90.725  5.98   0.0      2     93.788/    93.788

   SET #2 of 8 TRIAL #148 of 247 (TRIAL #82 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 304.70  28.04 181.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #149 of 247 (TRIAL #83 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 206.86  32.43 178.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #150 of 247 (TRIAL #84 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 261.47  30.96 211.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #151 of 247 (TRIAL #85 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 224.30  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.219  0.127  0.850     92.383  4.68
   2      0.719  0.627  0.850     92.383  4.68

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #151 of 247 (TRIAL #85 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.719  0.627  0.850     64.457  4.68   0.0      2     92.383/    92.383

   SET #2 of 8 TRIAL #152 of 247 (TRIAL #86 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 209.83  31.58 154.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #153 of 247 (TRIAL #87 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 136.82  38.13 146.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #154 of 247 (TRIAL #88 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  89.46  21.31 150.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #155 of 247 (TRIAL #89 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  72.46  11.73 223.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #156 of 247 (TRIAL #90 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 212.94  41.17 203.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #157 of 247 (TRIAL #91 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 273.24  25.47 218.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #158 of 247 (TRIAL #92 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  25.21  19.89 151.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #159 of 247 (TRIAL #93 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 182.02  40.58 148.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #160 of 247 (TRIAL #94 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 233.34  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.224  0.100  0.851     93.057  4.76
   2      0.724  0.600  0.851     93.057  4.76
   3      0.232  0.651  0.523     92.439  4.66
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #160 of 247 (TRIAL #94 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.732  0.151  0.523     69.582  4.66   0.0      2     92.439/    92.439
   2      0.724  0.600  0.851     65.653  4.76  23.8      2     93.057/    93.057

   SET #2 of 8 TRIAL #161 of 247 (TRIAL #95 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 186.87  43.84 170.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #162 of 247 (TRIAL #96 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 218.97  34.60 185.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #163 of 247 (TRIAL #97 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 249.99   7.32 233.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #164 of 247 (TRIAL #98 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 204.04  32.65 147.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.219  0.902  0.519     93.609  5.08
   2      0.719  0.402  0.519     93.609  5.08

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #164 of 247 (TRIAL #98 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.719  0.402  0.519     67.541  5.08   0.0      2     93.609/    93.609

   SET #2 of 8 TRIAL #165 of 247 (TRIAL #99 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  63.72   9.03 130.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #166 of 247 (TRIAL #100 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 116.19  13.91  85.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #167 of 247 (TRIAL #101 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 251.76  23.30 178.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #168 of 247 (TRIAL #102 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 179.04  34.85 174.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #169 of 247 (TRIAL #103 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 156.33  58.35 154.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #170 of 247 (TRIAL #104 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 305.88  28.56  99.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #171 of 247 (TRIAL #105 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  26.73  22.17 134.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #172 of 247 (TRIAL #106 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  52.22  25.26 140.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #173 of 247 (TRIAL #107 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 101.41   5.37 211.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #174 of 247 (TRIAL #108 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 287.72  13.53  93.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #175 of 247 (TRIAL #109 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  17.83  18.41 140.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #176 of 247 (TRIAL #110 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 350.66  28.50 175.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.830  0.208  0.307     93.430  5.58
   2      0.330  0.708  0.307     93.430  5.58

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #176 of 247 (TRIAL #110 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.330  0.708  0.307     90.934  5.58   0.0      2     93.430/    93.430

   SET #2 of 8 TRIAL #177 of 247 (TRIAL #111 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 120.33  37.14 144.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #178 of 247 (TRIAL #112 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 192.58  29.43 173.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.227  0.138  0.653     94.585  5.74
   2      0.727  0.638  0.653     94.585  5.74
   3      0.227  0.137  0.653     94.110  5.66
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #178 of 247 (TRIAL #112 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.727  0.637  0.653     91.048  5.66   0.0      4     94.110/    94.585

   SET #2 of 8 TRIAL #179 of 247 (TRIAL #113 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 155.76  31.37 167.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #180 of 247 (TRIAL #114 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 155.88  44.56 156.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #181 of 247 (TRIAL #115 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 301.69  18.21 173.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #182 of 247 (TRIAL #116 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 316.39  19.88 167.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #183 of 247 (TRIAL #117 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 323.82  26.22 181.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #184 of 247 (TRIAL #118 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 187.91  33.96 177.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #185 of 247 (TRIAL #119 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 237.79  44.84 165.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #186 of 247 (TRIAL #120 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 235.28  18.53 222.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #187 of 247 (TRIAL #121 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 242.48  42.27 158.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #188 of 247 (TRIAL #122 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 144.72  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.691  0.458  0.376     95.459  5.18
   2      0.191  0.958  0.376     95.459  5.18
   3      0.668  0.306  0.321     92.479  4.73
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #188 of 247 (TRIAL #122 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.668  0.306  0.321     70.328  4.73   0.0      2     92.479/    92.479
   2      0.191  0.958  0.376     67.981  5.18  16.9      2     95.459/    95.459

   SET #2 of 8 TRIAL #189 of 247 (TRIAL #123 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 239.75  32.04 139.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.539  0.152  0.318     95.650  4.52
   2      0.039  0.652  0.318     95.650  4.52
   3      0.253  0.280  0.753     95.493  4.49
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #189 of 247 (TRIAL #123 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.539  0.152  0.318     71.376  4.52   0.0      4     95.650/    95.650
   2      0.753  0.780  0.753     67.961  4.49  23.0      2     95.493/    95.493
   3      0.805  0.273  0.868     63.630  4.47  26.0      2     95.378/    95.378

   SET #2 of 8 TRIAL #190 of 247 (TRIAL #124 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 167.55  53.75 165.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #191 of 247 (TRIAL #125 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  78.45  33.72 128.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #192 of 247 (TRIAL #126 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 107.12  15.92 103.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #193 of 247 (TRIAL #127 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler   2.25  24.79 138.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #194 of 247 (TRIAL #128 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 109.40  40.97 157.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #195 of 247 (TRIAL #129 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 230.23  50.90 176.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #196 of 247 (TRIAL #130 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 306.52  14.35  74.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #197 of 247 (TRIAL #131 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  55.87  17.13 138.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #198 of 247 (TRIAL #132 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  81.49  35.66 216.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #199 of 247 (TRIAL #133 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 239.11  33.30 152.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.691  0.238  0.406     92.284  5.04
   2      0.191  0.738  0.406     92.284  5.04
   3      0.637  0.240  0.286     91.909  4.98
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #199 of 247 (TRIAL #133 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.637  0.240  0.286     71.911  4.98   0.0      2     91.909/    91.909
   2      0.191  0.738  0.406     67.781  5.04  19.3      2     92.284/    92.284

   SET #2 of 8 TRIAL #200 of 247 (TRIAL #134 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 215.09  52.36 172.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #201 of 247 (TRIAL #135 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  39.72  18.23 145.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #202 of 247 (TRIAL #136 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 296.66  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.770  0.044  0.430     94.670  5.07
   2      0.270  0.544  0.430     94.670  5.07
   3      0.302  0.559  0.541     93.469  4.88
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #202 of 247 (TRIAL #136 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.770  0.635  0.313     78.362  4.71   0.0      2     92.319/    92.319
   2      0.754  0.065  0.437     69.853  4.74  13.5      2     92.521/    92.521

   SET #2 of 8 TRIAL #203 of 247 (TRIAL #137 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 260.48  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.731  0.069  0.420     95.928  5.55
   2      0.231  0.569  0.420     95.928  5.55

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #203 of 247 (TRIAL #137 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.231  0.569  0.420     74.674  5.55   0.0      2     95.928/    95.928

   SET #2 of 8 TRIAL #204 of 247 (TRIAL #138 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 327.78  16.45 154.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #205 of 247 (TRIAL #139 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  30.02  47.21 198.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #206 of 247 (TRIAL #140 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 332.66  23.05 182.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #207 of 247 (TRIAL #141 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 101.10  20.63 108.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #208 of 247 (TRIAL #142 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 270.08  26.84 178.93 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #209 of 247 (TRIAL #143 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 219.59  42.87 152.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #210 of 247 (TRIAL #144 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 200.88  37.24 147.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #211 of 247 (TRIAL #145 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  18.34  30.41 143.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #212 of 247 (TRIAL #146 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 263.51  21.06 136.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.543  0.860  0.897     95.103  4.43
   2      0.043  0.360  0.897     95.103  4.43
   3      0.235  0.037  0.837     94.355  4.30
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #212 of 247 (TRIAL #146 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.043  0.360  0.897     75.603  4.43   0.0      2     95.103/    95.103
   2      0.594  0.886  0.010     70.694  4.26  32.1      2     94.114/    94.114

   SET #2 of 8 TRIAL #213 of 247 (TRIAL #147 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 100.22  21.64 148.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #214 of 247 (TRIAL #148 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 206.24  27.81 147.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #215 of 247 (TRIAL #149 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 171.63  44.46 159.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #216 of 247 (TRIAL #150 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 231.89  24.94 180.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #217 of 247 (TRIAL #151 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 199.46  39.03 167.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #218 of 247 (TRIAL #152 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  64.51  16.07 223.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #219 of 247 (TRIAL #153 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 180.65  53.22 173.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #220 of 247 (TRIAL #154 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 183.06  39.29 172.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #221 of 247 (TRIAL #155 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 278.57  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.751  0.053  0.426     96.073  5.42
   2      0.251  0.553  0.426     96.073  5.42

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #221 of 247 (TRIAL #155 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.251  0.553  0.426     74.814  5.42   0.0      2     96.073/    96.073

   SET #2 of 8 TRIAL #222 of 247 (TRIAL #156 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 359.14  23.34 175.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #223 of 247 (TRIAL #157 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 195.44  43.19 171.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #224 of 247 (TRIAL #158 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  37.30  19.82 136.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #225 of 247 (TRIAL #159 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  46.89  28.60 167.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #226 of 247 (TRIAL #160 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  21.64  36.35 153.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #227 of 247 (TRIAL #161 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  56.20  37.09 156.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.519  0.342  0.400     93.836  4.99
   2      0.019  0.842  0.400     93.836  4.99
   3      0.518  0.194  0.400     93.412  4.92
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #227 of 247 (TRIAL #161 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.723  0.154  0.289     71.361  4.83   0.0      2     92.862/    92.862
   2      0.018  0.694  0.400     67.561  4.92  21.8      2     93.412/    93.412

   SET #2 of 8 TRIAL #228 of 247 (TRIAL #162 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 109.53  18.02 110.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #229 of 247 (TRIAL #163 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 287.62  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.760  0.045  0.429     95.422  5.31
   2      0.260  0.545  0.429     95.422  5.31

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #229 of 247 (TRIAL #163 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.760  0.045  0.429     72.503  5.31   0.0      2     95.422/    95.422

   SET #2 of 8 TRIAL #230 of 247 (TRIAL #164 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 197.82  37.77 178.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #231 of 247 (TRIAL #165 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 217.31  43.59 168.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #232 of 247 (TRIAL #166 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 206.00  55.36 156.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #233 of 247 (TRIAL #167 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 338.49  31.76 176.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #234 of 247 (TRIAL #168 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 167.91  39.89 143.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #235 of 247 (TRIAL #169 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 245.35  32.16 155.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.288  0.613  0.140     93.290  5.23
   2      0.788  0.113  0.140     93.290  5.23
   3      0.702  0.153  0.408     91.324  4.92
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #235 of 247 (TRIAL #169 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.788  0.113  0.140     71.843  5.23   0.0      2     93.290/    93.290
   2      0.702  0.153  0.408     66.060  4.92  23.0      2     91.324/    91.324

   SET #2 of 8 TRIAL #236 of 247 (TRIAL #170 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler   7.04  35.91 152.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #237 of 247 (TRIAL #171 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 312.62  35.97 173.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #238 of 247 (TRIAL #172 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 239.95  24.37 161.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #239 of 247 (TRIAL #173 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 300.13  11.88 183.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #240 of 247 (TRIAL #174 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 176.17  40.47 144.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #241 of 247 (TRIAL #175 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 227.93  43.23 153.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #242 of 247 (TRIAL #176 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 216.50  28.41 146.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #243 of 247 (TRIAL #177 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 238.05  35.85 175.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #244 of 247 (TRIAL #178 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 325.91  37.44 156.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.746  0.172  0.433     97.087  5.27
   2      0.246  0.672  0.433     97.087  5.27
   3      0.349  0.132  0.374     96.317  5.15
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #244 of 247 (TRIAL #178 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.246  0.672  0.433     62.600  5.27   0.0      2     97.087/    97.087
   2      0.708  0.168  0.313     61.582  4.57  18.2      2     92.649/    92.649
   3      0.349  0.132  0.374     57.850  5.15  16.5      2     96.317/    96.317
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #245 of 247 (TRIAL #179 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 283.33   5.78 208.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #246 of 247 (TRIAL #180 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 153.97  41.28 171.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #247 of 247 (TRIAL #181 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 334.25  37.54 157.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.752  0.188  0.433     94.774  4.82
   2      0.252  0.688  0.433     94.774  4.82
   3      0.714  0.182  0.312     94.115  4.71
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #247 of 247 (TRIAL #181 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.214  0.682  0.312     63.774  4.71   0.0      2     94.115/    94.115

---------------------------------
DEEP TRANSLATION FUNCTION #3 OF 8
---------------------------------

   161 trial orientations in deep search

   SOLU SET  RFZ=4.6 TFZ=3.6 PAK=0 LLG=59
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  273.2   35.5  137.9 FRAC -0.12  0.04 -0.40 BFAC -8.74
   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   88.2 RFZ  4.17

   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   87.5 RFZ  4.09

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   86.6 RFZ  3.99

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.535   25.925  148.923 RF   86.3 RFZ  3.97

   SOLU TRIAL ENSEMBLE helix_pdb EULER   51.869   24.857  151.761 RF   86.1 RFZ  3.94

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.424   24.033  161.846 RF   85.7 RFZ  3.90

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   85.6 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   85.4 RFZ  3.86

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   85.2 RFZ  3.84

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   85.1 RFZ  3.84

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   85.0 RFZ  3.83

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   85.0 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   84.7 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   84.7 RFZ  3.79

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   84.7 RFZ  3.79

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   84.5 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   84.5 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.201   26.601  163.128 RF   84.5 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   84.4 RFZ  3.76

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   84.3 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   84.2 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   84.0 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   84.0 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   84.0 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   83.9 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   83.9 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   83.8 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   83.8 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   83.8 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   83.8 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   83.7 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   83.6 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   83.5 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   83.4 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   83.3 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   83.3 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   83.1 RFZ  3.61

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   83.0 RFZ  3.61

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   82.8 RFZ  3.59

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   82.8 RFZ  3.59

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   82.7 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   82.7 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   82.5 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   82.5 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   82.4 RFZ  3.54

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   82.3 RFZ  3.53

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   82.2 RFZ  3.52

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   82.0 RFZ  3.50

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   81.9 RFZ  3.49

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   81.9 RFZ  3.49

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   81.9 RFZ  3.49

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   81.9 RFZ  3.49

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   81.6 RFZ  3.46

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   81.5 RFZ  3.45

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   81.5 RFZ  3.44

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   81.2 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   81.2 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   81.2 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   81.1 RFZ  3.40 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   81.0 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   81.0 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   81.0 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   80.7 RFZ  3.36 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   80.7 RFZ  3.36 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   80.6 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   80.6 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   80.6 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   80.5 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   80.4 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   80.3 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   29.925   26.470  156.022 RF   80.3 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   80.3 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   80.2 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   80.1 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   80.0 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   74.017   36.083  212.756 RF   80.0 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.387   20.578  161.440 RF   80.0 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   79.9 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   79.9 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   79.8 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   79.7 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  131.617   36.655  164.234 RF   79.7 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.771   36.460  172.722 RF   79.4 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.279   27.013  139.028 RF   79.4 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.844   29.075  162.258 RF   79.4 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.619   48.334  196.267 RF   79.4 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.203   35.142  161.594 RF   79.3 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.388   40.196  156.612 RF   79.2 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   79.2 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  147.239   28.399  136.646 RF   79.2 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   79.2 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.853   49.425  194.168 RF   79.1 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.561   28.504  159.572 RF   79.0 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.732   40.369  165.315 RF   79.0 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.581   30.297  164.048 RF   79.0 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.087   47.928  196.726 RF   78.9 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.649   35.266  161.001 RF   78.9 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.262   28.939  129.773 RF   78.9 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.791   32.132  146.853 RF   78.8 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.674   29.315  136.354 RF   78.8 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   82.174   32.079  212.797 RF   78.7 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   12.483   21.810  155.358 RF   78.6 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.047   28.565  158.082 RF   78.6 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.131   39.299  209.416 RF   78.6 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   21.857   46.476  196.197 RF   78.6 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  108.160   30.031  138.942 RF   78.6 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.398   57.665  177.443 RF   78.5 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.105   29.162  138.969 RF   78.5 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   78.4 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.705   28.038  181.965 RF   78.4 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.526   31.131  133.953 RF   78.3 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   88.596   14.547  113.772 RF   78.3 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.683   28.520  158.446 RF   78.3 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.760   41.761  152.978 RF   78.3 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.791   30.761  150.363 RF   78.3 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  353.579   30.665  168.047 RF   78.2 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.182   36.981  179.693 RF   78.2 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.302   50.743  192.838 RF   78.2 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  177.081   30.634  164.104 RF   78.2 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.257   30.048  168.017 RF   78.2 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.583   40.879  160.397 RF   78.2 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.765   26.601  136.983 RF   78.1 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  214.423   56.768  173.963 RF   78.1 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.453   21.186  136.283 RF   78.1 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.303   26.896  133.601 RF   78.1 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   93.410   30.408  100.003 RF   78.0 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.862   32.433  178.320 RF   78.0 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   49.289   33.293  141.902 RF   77.9 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.474   32.698  151.429 RF   77.9 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.828   31.579  154.758 RF   77.9 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  210.850   39.450  164.662 RF   77.8 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  182.024   40.582  148.556 RF   77.8 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.560   45.317  156.800 RF   77.8 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  139.502   30.142  154.811 RF   77.8 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.078   44.065  153.168 RF   77.7 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   38.861   16.401  156.062 RF   77.7 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   43.782   37.374  212.340 RF   77.7 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.743   34.377  143.791 RF   77.6 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.278   40.307  158.593 RF   77.5 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  251.757   23.300  178.313 RF   77.5 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.306   29.978  154.977 RF   77.4 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   14.334   23.518  135.651 RF   77.4 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.296   30.768  159.195 RF   77.4 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.724   13.530   93.504 RF   77.3 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.227   45.283  158.453 RF   77.3 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.460   21.314  150.409 RF   77.2 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  233.342   30.768  159.195 RF   77.2 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.275   54.297  181.356 RF   77.1 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.350   24.444   96.617 RF   77.1 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  218.966   34.600  185.712 RF   77.0 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.110   30.878  154.447 RF   76.9 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.974   29.645  155.250 RF   76.9 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.036   32.648  147.192 RF   76.9 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.483   42.272  158.790 RF   76.8 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.463   11.731  223.636 RF   76.8 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.308   53.759  154.829 RF   76.7 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.768   30.768  159.195 RF   76.7 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  186.873   43.841  170.156 RF   76.7 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.500   39.817  171.071 RF   76.7 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.035   34.851  174.050 RF   76.6 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.299   19.821  136.813 RF   76.6 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  212.936   41.167  203.145 RF   76.6 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  216.799   39.583  208.823 RF   76.6 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   17.831   18.414  140.969 RF   76.5 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   25.214   19.891  151.386 RF   76.5 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  273.241   25.466  218.527 RF   76.5 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.664   30.768  159.195 RF   76.5 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  323.822   26.217  181.423 RF   76.4 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.414    5.368  211.612 RF   76.3 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  120.330   37.137  144.780 RF   76.3 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  306.520   14.352   74.543 RF   76.3 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.820   38.127  146.797 RF   76.3 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  109.395   40.969  157.891 RF   76.2 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.224   25.260  140.714 RF   76.2 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.762   31.367  167.872 RF   76.2 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  116.193   13.908   85.859 RF   76.1 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.138   25.215  134.276 RF   76.1 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.618   30.768  159.195 RF   76.0 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  201.232   44.691  195.382 RF   75.9 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.664   28.496  175.086 RF   75.9 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.335   58.354  154.199 RF   75.9 RFZ  2.84 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   26.727   22.173  134.486 RF   75.9 RFZ  2.84 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  187.914   33.960  177.620 RF   75.9 RFZ  2.84 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  100.219   21.636  148.565 RF   75.8 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  167.554   53.753  165.358 RF   75.7 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  278.572   30.768  159.195 RF   75.7 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   39.722   18.231  145.587 RF   75.6 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    2.250   24.787  138.003 RF   75.6 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  344.179    5.412  189.431 RF   75.5 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.170   40.468  144.627 RF   75.5 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.583   29.426  173.150 RF   75.5 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.095   20.634  108.809 RF   75.5 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.392   19.880  167.093 RF   75.5 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.749   32.036  139.851 RF   75.4 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  338.494   31.758  176.517 RF   75.4 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.893   24.939  180.164 RF   75.3 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.480   30.768  159.195 RF   75.3 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  309.155   23.841  175.706 RF   75.3 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  305.879   28.560   99.448 RF   75.3 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  270.077   26.844  178.929 RF   75.3 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.443   43.194  171.864 RF   75.3 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  167.913   39.885  143.186 RF   75.2 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  171.632   44.458  159.325 RF   75.2 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  359.138   23.339  175.345 RF   75.2 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  261.465   30.958  211.704 RF   75.1 RFZ  2.76 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  215.092   52.358  172.249 RF   75.1 RFZ  2.76 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  175.847   53.623  167.751 RF   75.1 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.021   47.206  198.816 RF   75.0 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.724    9.032  130.621 RF   75.0 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.059   39.286  172.292 RF   75.0 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.592   42.873  152.005 RF   75.0 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  235.281   18.530  222.803 RF   75.0 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   35.719   33.639  180.082 RF   75.0 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.876   44.557  156.213 RF   75.0 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  245.347   32.164  155.672 RF   74.9 RFZ  2.73 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  200.885   37.243  147.962 RF   74.9 RFZ  2.73 # DEEP

   Scoring 648 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #3 of 8
   0%         100%
   |===========| DONE

   Mean Score (Sigma):       33.88   (10.54)

   SET #3 of 8 TRIAL #56 of 216 (TRIAL #1 of 161 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 165.48  35.57 167.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.385  0.581  0.432     93.472  4.62
   2      0.885  0.081  0.432     93.472  4.62

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #56 of 216 (TRIAL #1 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.885  0.081  0.432     80.795  4.62   0.0      2     93.472/    93.472

   SET #3 of 8 TRIAL #57 of 216 (TRIAL #2 of 161 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 174.84  35.22 168.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.442  0.062  0.891     93.341  4.66
   2      0.942  0.562  0.891     93.341  4.66

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #57 of 216 (TRIAL #2 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.942  0.562  0.891     79.634  4.66   0.0      2     93.341/    93.341

   SET #3 of 8 TRIAL #58 of 216 (TRIAL #3 of 161 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 322.82  28.56 160.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.556  0.511  0.942     103.51  5.87
   2      0.056  0.011  0.942     103.51  5.87
   3      0.554  0.510  0.939      99.44  5.21
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #58 of 216 (TRIAL #3 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.634  0.459  0.381     80.153  4.87   0.0      2     97.372/    97.372
   2      0.556  0.511  0.942     79.965  5.87  16.3      4    103.513/   103.513
   3      0.056  0.569  0.942     73.840  4.71  31.6      2     96.384/    96.384
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #59 of 216 (TRIAL #4 of 161 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 302.48  34.53 174.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #60 of 216 (TRIAL #5 of 161 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 155.42  39.96 157.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #61 of 216 (TRIAL #6 of 161 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 168.78  39.95 163.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #62 of 216 (TRIAL #7 of 161 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 219.01  39.25 165.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #63 of 216 (TRIAL #8 of 161 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 207.91  27.89 176.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #64 of 216 (TRIAL #9 of 161 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler  27.07  27.83 147.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.370  0.163  0.519     96.062  5.23
   2      0.870  0.663  0.519     96.062  5.23
   3      0.368  0.883  0.021     95.855  5.20
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #64 of 216 (TRIAL #9 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.596  0.055  0.971     76.353  4.88   0.0      2     93.972/    93.972
   2      0.368  0.883  0.021     71.109  5.20   5.1      2     95.855/    95.855
   3      0.870  0.663  0.519     70.311  5.23  28.3      2     96.062/    96.062

   SET #3 of 8 TRIAL #65 of 216 (TRIAL #10 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 285.32  35.80 173.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #66 of 216 (TRIAL #11 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 248.33  29.35 162.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 22 sites over 67.5% of top
   22 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.516  0.916  0.032     99.056  5.24
   2      0.016  0.416  0.032     99.056  5.24
   3      0.515  0.910  0.031     98.187  5.10
   #Sites = 22: output truncated to 3 sites

   Top 22 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #66 of 216 (TRIAL #11 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.962  0.802  0.921     78.863  4.37   0.0      2     93.631/    93.631
   2      0.974  0.345  0.254     75.412  4.40  23.2      2     93.793/    93.793
   3      0.842  0.974  0.709     73.666  4.35  11.3      2     93.528/    93.528
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #67 of 216 (TRIAL #12 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  94.86  34.47 153.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 28 sites over 67.5% of top
   28 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.776  0.353  0.414     97.992  4.87
   2      0.276  0.853  0.414     97.992  4.87
   3      0.570  0.281  0.526     97.854  4.85
   #Sites = 28: output truncated to 3 sites

   Top 28 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #67 of 216 (TRIAL #12 of 161 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.464  0.285  0.532     79.598  4.37   0.0      4     94.992/    95.433
   2      0.547  0.276  0.981     79.329  4.78  24.3      4     97.429/    97.429
   3      0.181  0.386  0.979     78.974  4.40  27.1      2     95.163/    95.163
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #68 of 216 (TRIAL #13 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 188.54  36.06 151.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.490  0.295  0.004     97.660  5.56
   2      0.990  0.795  0.004     97.660  5.56
   3      0.591  0.312  0.459     93.522  4.85
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #68 of 216 (TRIAL #13 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.591  0.312  0.459     78.619  4.85   0.0      2     93.522/    93.522
   2      0.990  0.795  0.004     77.977  5.56  32.3      2     97.660/    97.660
   3      0.991  0.506  0.504     69.837  4.76  35.4      2     92.973/    92.973

   SET #3 of 8 TRIAL #69 of 216 (TRIAL #14 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  10.94  21.02 165.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #70 of 216 (TRIAL #15 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 260.28  37.31 170.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #71 of 216 (TRIAL #16 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  29.93  26.47 156.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.675  0.214  0.410     96.129  5.31
   2      0.175  0.714  0.410     96.129  5.31
   3      0.674  0.696  0.409     94.402  5.02
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #71 of 216 (TRIAL #16 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.175  0.714  0.410     82.935  5.31   0.0      2     96.129/    96.129
   2      0.621  0.725  0.307     81.100  4.78  15.5      2     92.939/    92.939
   3      0.674  0.696  0.409     78.425  5.02  11.0      2     94.402/    94.402

   SET #3 of 8 TRIAL #72 of 216 (TRIAL #17 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 352.12  21.60 169.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #73 of 216 (TRIAL #18 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 163.57  39.98 158.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #74 of 216 (TRIAL #19 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 248.54  40.68 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #75 of 216 (TRIAL #20 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 221.27  34.97 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.277  0.618  0.567     94.504  5.12
   2      0.777  0.118  0.567     94.504  5.12
   3      0.283  0.616  0.576     94.036  5.04
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #75 of 216 (TRIAL #20 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.449  0.025  0.898     77.188  4.93   0.0      2     93.340/    93.340
   2      0.783  0.116  0.576     72.128  5.04  23.1      4     94.036/    94.504

   SET #3 of 8 TRIAL #76 of 216 (TRIAL #21 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  74.02  36.08 212.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #77 of 216 (TRIAL #22 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 285.39  20.58 161.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #78 of 216 (TRIAL #23 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 152.55  30.04 150.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 34 sites over 67.5% of top
   34 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.492  0.344  1.000     97.756  4.86
   2      0.992  0.844  1.000     97.756  4.86
   3      0.459  0.370  0.668     97.452  4.81
   #Sites = 34: output truncated to 3 sites

   Top 34 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #78 of 216 (TRIAL #23 of 161 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.692  0.220  0.617     82.318  4.69   0.0      2     96.684/    96.684
   2      0.405  0.408  0.108     81.412  4.50  24.6      4     95.527/    95.527
   3      0.992  0.844  1.000     79.092  4.86  23.8      2     97.756/    97.756
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #79 of 216 (TRIAL #24 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 232.62  37.51 171.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #80 of 216 (TRIAL #25 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  60.80  26.59 129.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #81 of 216 (TRIAL #26 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  42.56  32.81 151.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 28 sites over 67.5% of top
   28 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.656  0.691  0.400     96.873  5.02
   2      0.156  0.191  0.400     96.873  5.02
   3      0.577  0.107  0.296     96.393  4.94
   #Sites = 28: output truncated to 3 sites

   Top 28 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #81 of 216 (TRIAL #26 of 161 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.156  0.191  0.400     83.695  5.02   0.0      6     96.873/    96.873
   2      0.524  0.563  0.843     80.921  4.50  28.1      4     93.782/    95.554
   3      0.270  0.222  0.621     79.365  4.57  10.8      2     94.192/    94.192
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #82 of 216 (TRIAL #27 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 131.62  36.65 164.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.353  0.182  0.420     94.371  4.89
   2      0.853  0.682  0.420     94.371  4.89

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #82 of 216 (TRIAL #27 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.853  0.682  0.420     83.196  4.89   0.0      2     94.371/    94.371

   SET #3 of 8 TRIAL #83 of 216 (TRIAL #28 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 276.77  36.46 172.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #84 of 216 (TRIAL #29 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  31.28  27.01 139.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #85 of 216 (TRIAL #30 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 266.84  29.07 162.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.720  0.968  0.365     96.752  5.08
   2      0.220  0.468  0.365     96.752  5.08
   3      0.726  0.969  0.372     95.930  4.94
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #85 of 216 (TRIAL #30 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.072  0.927  0.363     79.055  4.93   0.0      2     95.845/    95.845
   2      0.720  0.968  0.365     78.861  5.08  15.4      4     96.752/    96.752
   3      0.775  0.959  0.031     78.297  4.73  21.3      2     94.615/    94.615
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #86 of 216 (TRIAL #31 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 242.62  48.33 196.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #87 of 216 (TRIAL #32 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 204.20  35.14 161.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #88 of 216 (TRIAL #33 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 183.39  40.20 156.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #89 of 216 (TRIAL #34 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  34.98  58.45 174.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #90 of 216 (TRIAL #35 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 147.24  28.40 136.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #91 of 216 (TRIAL #36 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 224.30  30.75 179.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #92 of 216 (TRIAL #37 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  55.85  49.43 194.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #93 of 216 (TRIAL #38 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 341.56  28.50 159.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #94 of 216 (TRIAL #39 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 264.73  40.37 165.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #95 of 216 (TRIAL #40 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 192.58  30.30 164.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.529  0.104  0.123     94.839  4.83
   2      0.029  0.604  0.123     94.839  4.83
   3      0.471  0.073  0.009     93.350  4.59
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #95 of 216 (TRIAL #40 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.971  0.573  0.009     71.163  4.59   0.0      2     93.350/    93.350
   2      0.210  0.665  0.455     70.994  4.54  22.1      2     93.046/    93.046
   3      0.529  0.104  0.123     68.666  4.83  42.7      2     94.839/    94.839

   SET #3 of 8 TRIAL #96 of 216 (TRIAL #41 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  63.09  47.93 196.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #97 of 216 (TRIAL #42 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 195.65  35.27 161.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #98 of 216 (TRIAL #43 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  79.26  28.94 129.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.631  0.693  0.450     91.712  5.28
   2      0.131  0.193  0.450     91.712  5.28

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #98 of 216 (TRIAL #43 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.631  0.693  0.450     73.759  5.28   0.0      2     91.712/    91.712

   SET #3 of 8 TRIAL #99 of 216 (TRIAL #44 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 194.79  32.13 146.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.521  0.225  0.123     98.804  5.50
   2      0.021  0.725  0.123     98.804  5.50
   3      0.385  0.331  0.565     95.891  5.01
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #99 of 216 (TRIAL #44 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.021  0.725  0.123     86.939  5.50   0.0      4     98.804/    98.804
   2      0.385  0.331  0.565     78.861  5.01  28.1      4     95.891/    95.891

   SET #3 of 8 TRIAL #100 of 216 (TRIAL #45 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 156.67  29.32 136.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #101 of 216 (TRIAL #46 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  82.17  32.08 212.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #102 of 216 (TRIAL #47 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  12.48  21.81 155.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #103 of 216 (TRIAL #48 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  19.05  28.56 158.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.618  0.658  0.290     95.273  5.11
   2      0.118  0.158  0.290     95.273  5.11
   3      0.663  0.171  0.404     94.382  4.97
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #103 of 216 (TRIAL #48 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.163  0.671  0.404     76.203  4.97   0.0      2     94.382/    94.382
   2      0.618  0.658  0.290     73.414  5.11  16.7      2     95.273/    95.273

   SET #3 of 8 TRIAL #104 of 216 (TRIAL #49 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  37.13  39.30 209.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #105 of 216 (TRIAL #50 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  21.86  46.48 196.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #106 of 216 (TRIAL #51 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 108.16  30.03 138.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #107 of 216 (TRIAL #52 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  42.40  57.67 177.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #108 of 216 (TRIAL #53 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  99.11  29.16 138.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #109 of 216 (TRIAL #54 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 207.45  29.35 167.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.534  0.975  0.134     95.346  5.22
   2      0.034  0.475  0.134     95.346  5.22
   3      0.529  0.977  0.128     93.725  4.94
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #109 of 216 (TRIAL #54 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.529  0.977  0.128     76.693  4.94   0.0      4     93.725/    95.346

   SET #3 of 8 TRIAL #110 of 216 (TRIAL #55 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 304.70  28.04 181.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #111 of 216 (TRIAL #56 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  84.53  31.13 133.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.627  0.647  0.995     94.612  5.70
   2      0.127  0.147  0.995     94.612  5.70
   3      0.628  0.575  0.497     91.807  5.23
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #111 of 216 (TRIAL #56 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.627  0.647  0.995     79.858  5.70   0.0      2     94.612/    94.612
   2      0.128  0.075  0.497     71.629  5.23  36.7      2     91.807/    91.807

   SET #3 of 8 TRIAL #112 of 216 (TRIAL #57 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  88.60  14.55 113.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #113 of 216 (TRIAL #58 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler   9.68  28.52 158.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.629  0.682  0.069     94.966  5.08
   2      0.129  0.182  0.069     94.966  5.08

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #113 of 216 (TRIAL #58 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.129  0.182  0.069     76.904  5.08   0.0      2     94.966/    94.966

   SET #3 of 8 TRIAL #114 of 216 (TRIAL #59 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 209.76  41.76 152.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #115 of 216 (TRIAL #60 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 170.79  30.76 150.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 20 sites over 67.5% of top
   20 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.529  0.278  0.121     97.896  5.30
   2      0.029  0.778  0.121     97.896  5.30
   3      0.527  0.272  0.117     95.706  4.94
   #Sites = 20: output truncated to 3 sites

   Top 20 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #115 of 216 (TRIAL #60 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.027  0.772  0.117     84.227  4.94   0.0      4     95.706/    97.896
   2      0.394  0.372  0.559     77.095  4.89  28.3      2     95.420/    95.420
   3      0.725  0.379  0.004     75.870  4.64  25.7      2     93.862/    93.862
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #116 of 216 (TRIAL #61 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 353.58  30.67 168.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.523  0.197  0.615     96.849  5.21
   2      0.023  0.697  0.615     96.849  5.21
   3      0.487  0.799  0.275     95.364  4.96
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #116 of 216 (TRIAL #61 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.023  0.697  0.615     81.940  5.21   0.0      2     96.849/    96.849
   2      0.487  0.799  0.275     71.855  4.96  35.7      2     95.364/    95.364

   SET #3 of 8 TRIAL #117 of 216 (TRIAL #62 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 206.18  36.98 179.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #118 of 216 (TRIAL #63 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 194.30  50.74 192.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #119 of 216 (TRIAL #64 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 177.08  30.63 164.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.459  0.660  0.229     93.257  4.60
   2      0.959  0.160  0.229     93.257  4.60
   3      0.629  0.702  0.554     93.092  4.57
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #119 of 216 (TRIAL #64 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.629  0.702  0.554     75.431  4.57   0.0      2     93.092/    93.092
   2      0.459  0.660  0.229     72.293  4.60  16.0      2     93.257/    93.257

   SET #3 of 8 TRIAL #120 of 216 (TRIAL #65 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler   9.26  30.05 168.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.526  0.267  0.624     98.087  5.36
   2      0.026  0.767  0.624     98.087  5.36
   3      0.487  0.718  0.288     93.827  4.64
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #120 of 216 (TRIAL #65 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.526  0.267  0.624     86.407  5.36   0.0      2     98.087/    98.087

   SET #3 of 8 TRIAL #121 of 216 (TRIAL #66 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 125.58  40.88 160.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #122 of 216 (TRIAL #67 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 128.76  26.60 136.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #123 of 216 (TRIAL #68 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 214.42  56.77 173.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #124 of 216 (TRIAL #69 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  84.45  21.19 136.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #125 of 216 (TRIAL #70 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  47.30  26.90 133.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #126 of 216 (TRIAL #71 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  93.41  30.41 100.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #127 of 216 (TRIAL #72 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 206.86  32.43 178.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #128 of 216 (TRIAL #73 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  49.29  33.29 141.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #129 of 216 (TRIAL #74 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 221.47  32.70 151.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.209  0.701  0.461     94.503  5.05
   2      0.709  0.201  0.461     94.503  5.05

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #129 of 216 (TRIAL #74 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.209  0.701  0.461     76.456  5.05   0.0      2     94.503/    94.503

   SET #3 of 8 TRIAL #130 of 216 (TRIAL #75 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 209.83  31.58 154.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.436  0.147  0.677     93.890  4.99
   2      0.936  0.647  0.677     93.890  4.99
   3      0.468  0.187  0.010     92.968  4.84
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #130 of 216 (TRIAL #75 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.468  0.187  0.010     74.376  4.84   0.0      2     92.968/    92.968
   2      0.709  0.189  0.459     72.103  4.75  22.1      2     92.434/    92.434
   3      0.936  0.647  0.677     70.444  4.99  36.2      2     93.890/    93.890

   SET #3 of 8 TRIAL #131 of 216 (TRIAL #76 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 210.85  39.45 164.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #132 of 216 (TRIAL #77 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 182.02  40.58 148.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #133 of 216 (TRIAL #78 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 197.56  45.32 156.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #134 of 216 (TRIAL #79 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 139.50  30.14 154.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 28 sites over 67.5% of top
   28 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.704  0.437  0.879     101.31  5.71
   2      0.204  0.937  0.879     101.31  5.71
   3      0.706  0.730  0.377      98.04  5.20
   #Sites = 28: output truncated to 3 sites

   Top 28 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #134 of 216 (TRIAL #79 of 161 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.706  0.730  0.377     77.618  5.20   0.0      4     98.039/    98.039
   2      0.705  0.759  0.877     74.384  4.58  30.1      2     94.144/    94.144
   3      0.548  0.338  0.111     74.367  4.47  16.3      2     93.453/    93.453
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #135 of 216 (TRIAL #80 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 140.08  44.06 153.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #136 of 216 (TRIAL #81 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  38.86  16.40 156.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #137 of 216 (TRIAL #82 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  43.78  37.37 212.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #138 of 216 (TRIAL #83 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  37.74  34.38 143.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #139 of 216 (TRIAL #84 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 197.28  40.31 158.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #140 of 216 (TRIAL #85 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 251.76  23.30 178.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #141 of 216 (TRIAL #86 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 130.31  29.98 154.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 24 sites over 67.5% of top
   24 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.714  0.451  0.878     99.144  5.48
   2      0.214  0.951  0.878     99.144  5.48
   3      0.716  0.741  0.377     98.266  5.34
   #Sites = 24: output truncated to 3 sites

   Top 24 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #141 of 216 (TRIAL #86 of 161 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.716  0.741  0.377     77.172  5.34   0.0      4     98.266/    98.266
   2      0.503  0.339  0.995     74.407  4.58  21.0      2     93.437/    93.437
   3      0.215  0.275  0.876     74.011  4.59  23.6      2     93.476/    93.476
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #142 of 216 (TRIAL #87 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  14.33  23.52 135.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #143 of 216 (TRIAL #88 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 224.30  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.521  0.538  0.351     96.940  5.39
   2      0.021  0.038  0.351     96.940  5.39
   3      0.443  0.596  0.907     94.467  5.00
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #143 of 216 (TRIAL #88 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.021  0.038  0.351     77.150  5.39   0.0      2     96.940/    96.940
   2      0.148  0.112  0.575     72.589  4.70  11.3      2     92.562/    92.562
   3      0.943  0.096  0.907     71.078  5.00  18.7      2     94.467/    94.467
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #144 of 216 (TRIAL #89 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 287.72  13.53  93.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #145 of 216 (TRIAL #90 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 206.23  45.28 158.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #146 of 216 (TRIAL #91 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  89.46  21.31 150.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #147 of 216 (TRIAL #92 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 233.34  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.240  0.575  0.031     94.291  4.95
   2      0.740  0.075  0.031     94.291  4.95
   3      0.527  0.512  0.352     92.729  4.71
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #147 of 216 (TRIAL #92 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.027  0.012  0.352     74.400  4.71   0.0      2     92.729/    92.729
   2      0.240  0.575  0.031     69.222  4.95  23.1      2     94.291/    94.291
   3      0.448  0.564  0.908     67.593  4.63  33.1      2     92.272/    92.272

   SET #3 of 8 TRIAL #148 of 216 (TRIAL #93 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 227.28  54.30 181.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #149 of 216 (TRIAL #94 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 300.35  24.44  96.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #150 of 216 (TRIAL #95 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 218.97  34.60 185.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #151 of 216 (TRIAL #96 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 176.11  30.88 154.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.385  0.296  0.557     96.914  5.39
   2      0.885  0.796  0.557     96.914  5.39
   3      0.522  0.198  0.120     96.419  5.31
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #151 of 216 (TRIAL #96 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.022  0.698  0.120     82.577  5.31   0.0      2     96.419/    96.419
   2      0.885  0.796  0.557     81.421  5.39  16.5      2     96.914/    96.914
   3      0.972  0.498  0.511     73.224  4.82  23.6      2     93.370/    93.370

   SET #3 of 8 TRIAL #152 of 216 (TRIAL #97 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 111.97  29.65 155.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 20 sites over 67.5% of top
   20 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.758  0.472  0.433     101.79  5.99
   2      0.258  0.972  0.433     101.79  5.99
   3      0.304  0.190  0.044      98.40  5.45
   #Sites = 20: output truncated to 3 sites

   Top 20 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #152 of 216 (TRIAL #97 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.758  0.472  0.433     78.832  5.99   0.0      6     101.79/    101.79
   2      0.810  0.693  0.053     71.014  4.64  28.0      4      93.28/     98.40
   3      0.009  0.418  0.208     70.792  4.76  18.7      2      94.02/     94.02
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #153 of 216 (TRIAL #98 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 204.04  32.65 147.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.703  0.345  0.454     95.270  5.28
   2      0.203  0.845  0.454     95.270  5.28
   3      0.515  0.179  0.125     93.688  5.01
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #153 of 216 (TRIAL #98 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.515  0.179  0.125     80.684  5.01   0.0      2     93.688/    93.688
   2      0.703  0.345  0.454     76.389  5.28  16.9      2     95.270/    95.270

   SET #3 of 8 TRIAL #154 of 216 (TRIAL #99 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 242.48  42.27 158.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #155 of 216 (TRIAL #100 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  72.46  11.73 223.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #156 of 216 (TRIAL #101 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 156.31  53.76 154.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #157 of 216 (TRIAL #102 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 153.77  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.683  0.359  0.878     94.062  4.80
   2      0.183  0.859  0.878     94.062  4.80
   3      0.716  0.321  0.442     93.866  4.76
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #157 of 216 (TRIAL #102 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.529  0.240  0.117     72.866  4.65   0.0      2     93.128/    93.128
   2      0.413  0.801  0.105     69.959  4.54  14.6      2     92.439/    92.439
   3      0.683  0.359  0.878     66.793  4.80  20.0      2     94.062/    94.062
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #158 of 216 (TRIAL #103 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 186.87  43.84 170.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #159 of 216 (TRIAL #104 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 174.50  39.82 171.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #160 of 216 (TRIAL #105 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 179.04  34.85 174.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #161 of 216 (TRIAL #106 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  37.30  19.82 136.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #162 of 216 (TRIAL #107 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 212.94  41.17 203.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #163 of 216 (TRIAL #108 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 216.80  39.58 208.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #164 of 216 (TRIAL #109 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  17.83  18.41 140.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #165 of 216 (TRIAL #110 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  25.21  19.89 151.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #166 of 216 (TRIAL #111 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 273.24  25.47 218.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #167 of 216 (TRIAL #112 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 296.66  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.302  0.502  0.041     97.509  5.40
   2      0.802  0.002  0.041     97.509  5.40
   3      0.747  0.997  0.374     96.865  5.30
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #167 of 216 (TRIAL #112 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.802  0.002  0.041     74.548  5.40   0.0      2     97.509/    97.509
   2      0.747  0.997  0.374     74.252  5.30  24.8      2     96.865/    96.865
   3      0.770  0.994  0.930     72.476  5.01   5.6      2     94.965/    94.965

   SET #3 of 8 TRIAL #168 of 216 (TRIAL #113 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 323.82  26.22 181.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #169 of 216 (TRIAL #114 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 101.41   5.37 211.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #170 of 216 (TRIAL #115 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 120.33  37.14 144.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #171 of 216 (TRIAL #116 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 306.52  14.35  74.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #172 of 216 (TRIAL #117 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 136.82  38.13 146.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #173 of 216 (TRIAL #118 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 109.40  40.97 157.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #174 of 216 (TRIAL #119 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  52.22  25.26 140.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #175 of 216 (TRIAL #120 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 155.76  31.37 167.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.514  0.195  0.339     92.647  4.85
   2      0.014  0.695  0.339     92.647  4.85

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #175 of 216 (TRIAL #120 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.514  0.195  0.339     78.463  4.85   0.0      2     92.647/    92.647

   SET #3 of 8 TRIAL #176 of 216 (TRIAL #121 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 116.19  13.91  85.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #177 of 216 (TRIAL #122 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  31.14  25.21 134.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #178 of 216 (TRIAL #123 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 287.62  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.737  0.988  0.373     96.366  5.33
   2      0.237  0.488  0.373     96.366  5.33
   3      0.292  0.492  0.039     95.402  5.18
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #178 of 216 (TRIAL #123 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.761  0.988  0.928     75.819  5.12   0.0      2     94.988/    94.988
   2      0.737  0.988  0.373     75.065  5.33  29.7      4     96.366/    96.366
   3      0.206  0.516  0.807     74.266  4.71  44.4      2     92.338/    92.338
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #179 of 216 (TRIAL #124 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 201.23  44.69 195.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #180 of 216 (TRIAL #125 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 350.66  28.50 175.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #181 of 216 (TRIAL #126 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 156.33  58.35 154.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #182 of 216 (TRIAL #127 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  26.73  22.17 134.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #183 of 216 (TRIAL #128 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 187.91  33.96 177.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #184 of 216 (TRIAL #129 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 100.22  21.64 148.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #185 of 216 (TRIAL #130 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 167.55  53.75 165.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #186 of 216 (TRIAL #131 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 278.57  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.721  0.987  0.362     95.559  5.26
   2      0.221  0.487  0.362     95.559  5.26
   3      0.727  0.988  0.372     94.695  5.13
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #186 of 216 (TRIAL #131 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.221  0.487  0.362     78.918  5.26   0.0      4     95.559/    95.559
   2      0.697  0.020  0.806     77.009  5.01  20.0      2     93.899/    93.899
   3      0.251  0.483  0.925     76.289  5.10  29.6      2     94.482/    94.482
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #187 of 216 (TRIAL #132 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  39.72  18.23 145.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #188 of 216 (TRIAL #133 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler   2.25  24.79 138.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #189 of 216 (TRIAL #134 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 344.18   5.41 189.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #190 of 216 (TRIAL #135 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 176.17  40.47 144.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #191 of 216 (TRIAL #136 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 192.58  29.43 173.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #192 of 216 (TRIAL #137 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 101.10  20.63 108.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #193 of 216 (TRIAL #138 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 316.39  19.88 167.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #194 of 216 (TRIAL #139 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 239.75  32.04 139.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 24 sites over 67.5% of top
   24 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.225  0.178  0.809     98.809  4.95
   2      0.725  0.678  0.809     98.809  4.95
   3      0.414  0.177  0.691     97.140  4.68
   #Sites = 24: output truncated to 3 sites

   Top 24 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #194 of 216 (TRIAL #139 of 161 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.390  0.754  0.331     70.838  4.36   0.0      4     95.154/    95.154
   2      0.945  0.113  0.816     69.755  4.16  27.2      2     93.933/    93.933
   3      0.776  0.301  0.113     69.236  4.43  24.3      2     95.603/    95.603
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #195 of 216 (TRIAL #140 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 338.49  31.76 176.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #196 of 216 (TRIAL #141 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 231.89  24.94 180.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #197 of 216 (TRIAL #142 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 260.48  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #198 of 216 (TRIAL #143 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 309.16  23.84 175.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #199 of 216 (TRIAL #144 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 305.88  28.56  99.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #200 of 216 (TRIAL #145 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 270.08  26.84 178.93 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #201 of 216 (TRIAL #146 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 195.44  43.19 171.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #202 of 216 (TRIAL #147 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 167.91  39.89 143.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #203 of 216 (TRIAL #148 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 171.63  44.46 159.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #204 of 216 (TRIAL #149 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 359.14  23.34 175.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #205 of 216 (TRIAL #150 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 261.47  30.96 211.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #206 of 216 (TRIAL #151 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 215.09  52.36 172.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #207 of 216 (TRIAL #152 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 175.85  53.62 167.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #208 of 216 (TRIAL #153 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  30.02  47.21 198.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #209 of 216 (TRIAL #154 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  63.72   9.03 130.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #210 of 216 (TRIAL #155 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 183.06  39.29 172.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #211 of 216 (TRIAL #156 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 219.59  42.87 152.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #212 of 216 (TRIAL #157 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 235.28  18.53 222.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #213 of 216 (TRIAL #158 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  35.72  33.64 180.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 22 sites over 67.5% of top
   22 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.525  0.381  0.752     98.210  4.73
   2      0.025  0.881  0.752     98.210  4.73
   3      0.715  0.390  0.642     97.151  4.55
   #Sites = 22: output truncated to 3 sites

   Top 22 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #213 of 216 (TRIAL #158 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.525  0.381  0.752     67.705  4.73   0.0      2     98.210/    98.210
   2      0.715  0.390  0.642     64.653  4.55  20.0      2     97.151/    97.151
   3      0.873  0.949  0.418     64.380  4.32  32.6      4     95.678/    95.678

   SET #3 of 8 TRIAL #214 of 216 (TRIAL #159 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 155.88  44.56 156.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #215 of 216 (TRIAL #160 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 245.35  32.16 155.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.678  0.320  0.855     91.832  4.97
   2      0.178  0.820  0.855     91.832  4.97
   3      0.241  0.575  0.030     91.709  4.95
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #215 of 216 (TRIAL #160 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.241  0.575  0.030     69.507  4.95   0.0      2     91.709/    91.709
   2      0.178  0.820  0.855     66.077  4.97  10.4      2     91.832/    91.832

   SET #3 of 8 TRIAL #216 of 216 (TRIAL #161 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 200.88  37.24 147.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

---------------------------------
DEEP TRANSLATION FUNCTION #4 OF 8
---------------------------------

   143 trial orientations in deep search

   SOLU SET  RFZ=4.5 TFZ=4.1 PAK=0 LLG=58
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  316.1   42.2  152.6 FRAC -0.28 -0.52 -0.18 BFAC -8.97
   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   88.5 RFZ  4.24

   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   88.3 RFZ  4.23

   SOLU TRIAL ENSEMBLE helix_pdb EULER   51.869   24.857  151.761 RF   87.1 RFZ  4.09

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   86.6 RFZ  4.04

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.424   24.033  161.846 RF   86.6 RFZ  4.04

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.535   25.925  148.923 RF   86.4 RFZ  4.02

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   86.0 RFZ  3.98

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   85.9 RFZ  3.97

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   85.8 RFZ  3.96

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   85.7 RFZ  3.95

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.201   26.601  163.128 RF   85.1 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   85.0 RFZ  3.86

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   84.7 RFZ  3.84

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   84.5 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   84.5 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   84.5 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   84.5 RFZ  3.81

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   84.4 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   84.2 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   84.2 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   84.1 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   83.9 RFZ  3.75

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   83.9 RFZ  3.75

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   83.8 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   83.8 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   83.8 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   83.7 RFZ  3.73

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   83.7 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   83.6 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   83.6 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   83.5 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   83.5 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   83.5 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   83.4 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   83.4 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   83.2 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   83.1 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   83.1 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   82.9 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   82.9 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   82.8 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   82.8 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   82.5 RFZ  3.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   82.4 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   82.3 RFZ  3.57

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   82.2 RFZ  3.57

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   82.0 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   81.9 RFZ  3.53

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   81.7 RFZ  3.51

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   81.5 RFZ  3.48

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   81.4 RFZ  3.48

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   81.4 RFZ  3.48

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   81.3 RFZ  3.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   81.2 RFZ  3.46 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   81.2 RFZ  3.46 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   81.2 RFZ  3.45 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   81.0 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   81.0 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   80.9 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   80.9 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   80.8 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   80.8 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.203   35.142  161.594 RF   80.8 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   80.7 RFZ  3.40 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   80.7 RFZ  3.40 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.388   40.196  156.612 RF   80.6 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   80.6 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   80.5 RFZ  3.38 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   80.3 RFZ  3.36 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   80.3 RFZ  3.36 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.262   28.939  129.773 RF   80.2 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   12.483   21.810  155.358 RF   80.2 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.771   36.460  172.722 RF   80.2 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   80.1 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   29.925   26.470  156.022 RF   80.0 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   80.0 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   80.0 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   80.0 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   79.8 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.649   35.266  161.001 RF   79.7 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.705   28.038  181.965 RF   79.7 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  210.850   39.450  164.662 RF   79.7 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   79.6 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.844   29.075  162.258 RF   79.5 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.526   31.131  133.953 RF   79.4 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   79.3 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  108.160   30.031  138.942 RF   79.3 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.105   29.162  138.969 RF   79.2 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.278   40.307  158.593 RF   79.1 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.791   30.761  150.363 RF   78.9 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   78.9 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.453   21.186  136.283 RF   78.8 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.303   26.896  133.601 RF   78.8 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.302   50.743  192.838 RF   78.8 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.732   40.369  165.315 RF   78.7 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   78.7 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.078   44.065  153.168 RF   78.6 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   78.6 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.853   49.425  194.168 RF   78.5 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.279   27.013  139.028 RF   78.5 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.561   28.504  159.572 RF   78.4 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  251.757   23.300  178.313 RF   78.4 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   78.3 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  139.502   30.142  154.811 RF   78.3 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.275   54.297  181.356 RF   78.2 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.765   26.601  136.983 RF   78.1 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  218.966   34.600  185.712 RF   78.1 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.182   36.981  179.693 RF   78.1 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   38.861   16.401  156.062 RF   78.0 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  182.024   40.582  148.556 RF   78.0 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.820   38.127  146.797 RF   77.9 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   77.8 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  147.239   28.399  136.646 RF   77.7 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.760   41.761  152.978 RF   77.7 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.306   29.978  154.977 RF   77.7 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.791   32.132  146.853 RF   77.7 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   25.214   19.891  151.386 RF   77.6 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.862   32.433  178.320 RF   77.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.227   45.283  158.453 RF   77.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.224   25.260  140.714 RF   77.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.560   45.317  156.800 RF   77.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   14.334   23.518  135.651 RF   77.4 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.674   29.315  136.354 RF   77.4 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  214.423   56.768  173.963 RF   77.3 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.299   19.821  136.813 RF   77.3 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   77.3 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.387   20.578  161.440 RF   77.3 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   88.596   14.547  113.772 RF   77.3 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  120.330   37.137  144.780 RF   77.2 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.350   24.444   96.617 RF   77.2 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  353.579   30.665  168.047 RF   77.1 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.500   39.817  171.071 RF   77.1 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.743   34.377  143.791 RF   77.1 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.483   42.272  158.790 RF   77.0 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.583   40.879  160.397 RF   77.0 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.460   21.314  150.409 RF   76.9 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   49.289   33.293  141.902 RF   76.8 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  323.822   26.217  181.423 RF   76.8 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.138   25.215  134.276 RF   76.5 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  167.913   39.885  143.186 RF   76.5 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  171.632   44.458  159.325 RF   76.5 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  270.077   26.844  178.929 RF   76.5 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  131.617   36.655  164.234 RF   76.5 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.257   30.048  168.017 RF   76.5 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.049   35.847  175.245 RF   76.4 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.047   28.565  158.082 RF   76.4 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  237.787   44.836  165.264 RF   76.4 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   17.831   18.414  140.969 RF   76.4 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.035   34.851  174.050 RF   76.4 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.443   43.194  171.864 RF   76.3 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.683   28.520  158.446 RF   76.3 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  186.873   43.841  170.156 RF   76.3 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  187.914   33.960  177.620 RF   76.3 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   78.454   33.718  128.610 RF   76.1 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.279   48.442  147.730 RF   76.1 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.392   19.880  167.093 RF   76.1 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  327.778   16.454  154.763 RF   76.1 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.893   24.939  180.164 RF   76.0 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    2.250   24.787  138.003 RF   76.0 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   39.722   18.231  145.587 RF   76.0 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.876   44.557  156.213 RF   76.0 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.749   32.036  139.851 RF   76.0 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  273.241   25.466  218.527 RF   76.0 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.414    5.368  211.612 RF   75.9 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  116.193   13.908   85.859 RF   75.9 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  309.155   23.841  175.706 RF   75.9 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  201.232   44.691  195.382 RF   75.8 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  199.461   39.034  167.248 RF   75.8 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  292.600   27.121  184.996 RF   75.8 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.480   24.023  131.089 RF   75.8 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.974   29.645  155.250 RF   75.8 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  301.686   18.210  172.997 RF   75.7 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   26.727   22.173  134.486 RF   75.7 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.581   30.297  164.048 RF   75.6 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.349   34.097  182.439 RF   75.5 RFZ  2.84 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   35.719   33.639  180.082 RF   75.5 RFZ  2.84 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.170   40.468  144.627 RF   75.4 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.095   20.634  108.809 RF   75.4 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  338.494   31.758  176.517 RF   75.4 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  249.985    7.323  233.307 RF   75.4 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.583   29.426  173.150 RF   75.4 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  205.761   41.527  180.889 RF   75.3 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.308   53.759  154.829 RF   75.3 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  265.401   31.788  207.757 RF   75.3 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.664   23.050  182.201 RF   75.3 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.664   28.496  175.086 RF   75.3 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.311   43.587  168.237 RF   75.3 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  159.766   34.093  132.723 RF   75.2 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.724   13.530   93.504 RF   75.2 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  148.402   38.491  144.073 RF   75.2 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.868   17.129  138.121 RF   75.2 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.036   32.648  147.192 RF   75.1 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.724    9.032  130.621 RF   75.0 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.968   41.276  171.853 RF   75.0 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.201   37.089  156.639 RF   75.0 RFZ  2.78 # DEEP

   Scoring 585 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #4 of 8
   0%        100%
   |==========| DONE

   Mean Score (Sigma):       35.90   (10.21)

   SET #4 of 8 TRIAL #53 of 195 (TRIAL #1 of 143 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 232.62  37.51 171.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #54 of 195 (TRIAL #2 of 143 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 322.82  28.56 160.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.556  0.397  0.441     94.660  4.51
   2      0.056  0.897  0.441     94.660  4.51
   3      0.349  0.402  0.401     94.036  4.41
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #54 of 195 (TRIAL #2 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.849  0.902  0.401     78.020  4.41   0.0      2     94.036/    94.036
   2      0.895  0.874  0.515     73.888  4.32   5.6      2     93.490/    93.490
   3      0.556  0.397  0.441     68.167  4.51  31.0      2     94.660/    94.660

   SET #4 of 8 TRIAL #55 of 195 (TRIAL #3 of 143 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 246.31  25.15 174.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #56 of 195 (TRIAL #4 of 143 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 155.42  39.96 157.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #57 of 195 (TRIAL #5 of 143 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 163.57  39.98 158.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #58 of 195 (TRIAL #6 of 143 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 221.27  34.97 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #59 of 195 (TRIAL #7 of 143 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler  10.68  27.05 148.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.366  0.456  0.519     96.330  5.02
   2      0.866  0.956  0.519     96.330  5.02
   3      0.803  0.469  0.535     94.195  4.67
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #59 of 195 (TRIAL #7 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.808  0.473  0.543     79.552  4.60   0.0      4     93.783/    94.195
   2      0.866  0.956  0.519     69.637  5.02  13.2      2     96.330/    96.330

   SET #4 of 8 TRIAL #60 of 195 (TRIAL #8 of 143 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 217.47  27.18 176.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #61 of 195 (TRIAL #9 of 143 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 296.42  20.58 159.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.811  0.251  0.649     96.843  5.72
   2      0.311  0.751  0.649     96.843  5.72

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #61 of 195 (TRIAL #9 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.811  0.251  0.649     91.668  5.72   0.0      2     96.843/    96.843

   SET #4 of 8 TRIAL #62 of 195 (TRIAL #10 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 248.54  40.68 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #63 of 195 (TRIAL #11 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 204.20  35.14 161.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #64 of 195 (TRIAL #12 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 285.32  35.80 173.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #65 of 195 (TRIAL #13 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 260.28  37.31 170.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #66 of 195 (TRIAL #14 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 183.39  40.20 156.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #67 of 195 (TRIAL #15 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 331.02  25.47 151.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.342  0.345  0.514     93.396  4.54
   2      0.842  0.845  0.514     93.396  4.54

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #67 of 195 (TRIAL #15 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.842  0.845  0.514     69.604  4.54   0.0      2     93.396/    93.396

   SET #4 of 8 TRIAL #68 of 195 (TRIAL #16 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 248.33  29.35 162.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.722  0.769  0.802     94.105  4.51
   2      0.222  0.269  0.802     94.105  4.51
   3      0.251  0.373  0.478     93.765  4.45
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #68 of 195 (TRIAL #16 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.222  0.269  0.802     81.553  4.51   0.0      2     94.105/    94.105
   2      0.751  0.873  0.478     71.977  4.45  21.6      2     93.765/    93.765

   SET #4 of 8 TRIAL #69 of 195 (TRIAL #17 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 165.48  35.57 167.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.653  0.542  0.654     95.329  5.11
   2      0.153  0.042  0.654     95.329  5.11
   3      0.666  0.784  0.965     93.799  4.84
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #69 of 195 (TRIAL #17 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.166  0.284  0.965     86.342  4.84   0.0      2     93.799/    93.799
   2      0.153  0.042  0.654     83.264  5.11  19.9      2     95.329/    95.329

   SET #4 of 8 TRIAL #70 of 195 (TRIAL #18 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  27.07  27.83 147.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.370  0.141  0.519     97.124  5.51
   2      0.870  0.641  0.519     97.124  5.51
   3      0.369  0.533  0.520     97.111  5.51
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #70 of 195 (TRIAL #18 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.370  0.141  0.519     76.182  5.51   0.0      2     97.124/    97.124
   2      0.369  0.608  0.020     74.400  5.06  25.5      2     94.408/    94.408
   3      0.868  0.701  0.020     70.390  4.98  28.2      2     93.910/    93.910
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #71 of 195 (TRIAL #19 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  79.26  28.94 129.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.631  0.314  0.448     91.762  5.21
   2      0.131  0.814  0.448     91.762  5.21

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #71 of 195 (TRIAL #19 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.131  0.814  0.448     83.548  5.21   0.0      2     91.762/    91.762

   SET #4 of 8 TRIAL #72 of 195 (TRIAL #20 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  12.48  21.81 155.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #73 of 195 (TRIAL #21 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 276.77  36.46 172.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #74 of 195 (TRIAL #22 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 302.48  34.53 174.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #75 of 195 (TRIAL #23 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  29.93  26.47 156.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #76 of 195 (TRIAL #24 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  60.80  26.59 129.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #77 of 195 (TRIAL #25 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 174.84  35.22 168.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.235  0.556  0.114     93.577  4.91
   2      0.735  0.056  0.114     93.577  4.91

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #77 of 195 (TRIAL #25 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.235  0.556  0.114     79.622  4.91   0.0      2     93.577/    93.577

   SET #4 of 8 TRIAL #78 of 195 (TRIAL #26 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 188.54  36.06 151.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #79 of 195 (TRIAL #27 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  30.36  24.91 165.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #80 of 195 (TRIAL #28 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 195.65  35.27 161.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.275  0.606  0.252     92.520  4.92
   2      0.775  0.106  0.252     92.520  4.92

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #80 of 195 (TRIAL #28 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.775  0.106  0.252     82.765  4.92   0.0      2     92.520/    92.520

   SET #4 of 8 TRIAL #81 of 195 (TRIAL #29 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 304.70  28.04 181.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #82 of 195 (TRIAL #30 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 210.85  39.45 164.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #83 of 195 (TRIAL #31 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 224.30  30.75 179.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #84 of 195 (TRIAL #32 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 266.84  29.07 162.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.273  0.363  0.484     94.617  4.79
   2      0.773  0.863  0.484     94.617  4.79
   3      0.749  0.758  0.811     94.415  4.76
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #84 of 195 (TRIAL #32 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.749  0.758  0.811     84.476  4.76   0.0      2     94.415/    94.415
   2      0.773  0.863  0.484     73.352  4.79  22.4      2     94.617/    94.617

   SET #4 of 8 TRIAL #85 of 195 (TRIAL #33 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  84.53  31.13 133.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.627  0.753  0.996     94.559  5.61
   2      0.127  0.253  0.996     94.559  5.61
   3      0.628  0.941  0.496     92.483  5.26
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #85 of 195 (TRIAL #33 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.627  0.753  0.996     79.870  5.61   0.0      2     94.559/    94.559
   2      0.128  0.441  0.496     70.556  5.26  36.0      2     92.483/    92.483

   SET #4 of 8 TRIAL #86 of 195 (TRIAL #34 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 352.12  21.60 169.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #87 of 195 (TRIAL #35 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 108.16  30.03 138.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.805  0.414  0.440     92.931  5.29
   2      0.305  0.914  0.440     92.931  5.29

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #87 of 195 (TRIAL #35 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.805  0.414  0.440     84.350  5.29   0.0      2     92.931/    92.931

   SET #4 of 8 TRIAL #88 of 195 (TRIAL #36 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  99.11  29.16 138.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #89 of 195 (TRIAL #37 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 197.28  40.31 158.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #90 of 195 (TRIAL #38 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 170.79  30.76 150.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.235  0.802  0.886     94.560  4.76
   2      0.735  0.302  0.886     94.560  4.76
   3      0.334  0.337  0.785     93.279  4.55
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #90 of 195 (TRIAL #38 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.235  0.802  0.886     78.102  4.76   0.0      2     94.560/    94.560
   2      0.834  0.837  0.785     76.909  4.55  33.2      2     93.279/    93.279

   SET #4 of 8 TRIAL #91 of 195 (TRIAL #39 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 335.56  60.15 153.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.228  0.531  0.965     96.151  5.81
   2      0.728  0.031  0.965     96.151  5.81
   3      0.235  0.520  0.972     93.093  5.26
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #91 of 195 (TRIAL #39 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.728  0.031  0.965     92.787  5.81   0.0      4     96.151/    96.151

   SET #4 of 8 TRIAL #92 of 195 (TRIAL #40 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  84.45  21.19 136.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #93 of 195 (TRIAL #41 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  47.30  26.90 133.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #94 of 195 (TRIAL #42 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 194.30  50.74 192.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #95 of 195 (TRIAL #43 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 264.73  40.37 165.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #96 of 195 (TRIAL #44 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 207.91  27.89 176.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #97 of 195 (TRIAL #45 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 140.08  44.06 153.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #98 of 195 (TRIAL #46 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  10.94  21.02 165.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #99 of 195 (TRIAL #47 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  55.85  49.43 194.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #100 of 195 (TRIAL #48 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  31.28  27.01 139.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #101 of 195 (TRIAL #49 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 341.56  28.50 159.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #102 of 195 (TRIAL #50 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 251.76  23.30 178.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #103 of 195 (TRIAL #51 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  42.56  32.81 151.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #104 of 195 (TRIAL #52 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 139.50  30.14 154.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.736  0.446  0.443     96.994  5.02
   2      0.236  0.946  0.443     96.994  5.02
   3      0.705  0.754  0.379     96.119  4.88
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #104 of 195 (TRIAL #52 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.236  0.946  0.443     75.599  5.02   0.0      2     96.994/    96.994
   2      0.712  0.749  0.388     75.466  4.78   9.7      4     95.466/    96.119
   3      0.712  0.180  0.388     74.479  4.60  10.1      2     94.357/    94.357
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #105 of 195 (TRIAL #53 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 227.28  54.30 181.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #106 of 195 (TRIAL #54 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 128.76  26.60 136.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #107 of 195 (TRIAL #55 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 218.97  34.60 185.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #108 of 195 (TRIAL #56 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 206.18  36.98 179.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #109 of 195 (TRIAL #57 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  38.86  16.40 156.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #110 of 195 (TRIAL #58 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 182.02  40.58 148.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #111 of 195 (TRIAL #59 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 136.82  38.13 146.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #112 of 195 (TRIAL #60 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  34.98  58.45 174.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #113 of 195 (TRIAL #61 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 147.24  28.40 136.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #114 of 195 (TRIAL #62 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 209.76  41.76 152.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #115 of 195 (TRIAL #63 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 130.31  29.98 154.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.715  0.773  0.378     98.033  5.30
   2      0.215  0.273  0.378     98.033  5.30
   3      0.721  0.768  0.387     95.420  4.89
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #115 of 195 (TRIAL #63 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.721  0.768  0.387     75.535  4.89   0.0      4     95.420/    98.033
   2      0.722  0.201  0.388     74.748  4.77  10.3      4     94.708/    94.708
   3      0.222  0.097  0.387     70.969  4.69  14.1      4     94.148/    94.935
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #116 of 195 (TRIAL #64 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 194.79  32.13 146.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.684  0.773  0.777     93.900  4.93
   2      0.184  0.273  0.777     93.900  4.93

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #116 of 195 (TRIAL #64 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.684  0.773  0.777     72.756  4.93   0.0      2     93.900/    93.900

   SET #4 of 8 TRIAL #117 of 195 (TRIAL #65 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  25.21  19.89 151.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #118 of 195 (TRIAL #66 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 206.86  32.43 178.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #119 of 195 (TRIAL #67 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 206.23  45.28 158.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #120 of 195 (TRIAL #68 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  52.22  25.26 140.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #121 of 195 (TRIAL #69 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 197.56  45.32 156.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #122 of 195 (TRIAL #70 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  14.33  23.52 135.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #123 of 195 (TRIAL #71 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 156.67  29.32 136.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #124 of 195 (TRIAL #72 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 214.42  56.77 173.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #125 of 195 (TRIAL #73 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  37.30  19.82 136.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #126 of 195 (TRIAL #74 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 207.45  29.35 167.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.266  0.450  0.580     93.592  5.12
   2      0.766  0.950  0.580     93.592  5.12

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #126 of 195 (TRIAL #74 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.766  0.950  0.580     71.633  5.12   0.0      2     93.592/    93.592

   SET #4 of 8 TRIAL #127 of 195 (TRIAL #75 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 285.39  20.58 161.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.798  0.235  0.645     92.853  5.73
   2      0.298  0.735  0.645     92.853  5.73

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #127 of 195 (TRIAL #75 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.798  0.235  0.645     86.025  5.73   0.0      2     92.853/    92.853

   SET #4 of 8 TRIAL #128 of 195 (TRIAL #76 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  88.60  14.55 113.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #129 of 195 (TRIAL #77 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 120.33  37.14 144.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #130 of 195 (TRIAL #78 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 300.35  24.44  96.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #131 of 195 (TRIAL #79 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 353.58  30.67 168.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #132 of 195 (TRIAL #80 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 174.50  39.82 171.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #133 of 195 (TRIAL #81 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  37.74  34.38 143.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #134 of 195 (TRIAL #82 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 242.48  42.27 158.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #135 of 195 (TRIAL #83 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 125.58  40.88 160.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #136 of 195 (TRIAL #84 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  89.46  21.31 150.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #137 of 195 (TRIAL #85 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  49.29  33.29 141.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #138 of 195 (TRIAL #86 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 323.82  26.22 181.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #139 of 195 (TRIAL #87 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  31.14  25.21 134.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #140 of 195 (TRIAL #88 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 167.91  39.89 143.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #141 of 195 (TRIAL #89 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 171.63  44.46 159.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #142 of 195 (TRIAL #90 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 270.08  26.84 178.93 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #143 of 195 (TRIAL #91 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 131.62  36.65 164.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #144 of 195 (TRIAL #92 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler   9.26  30.05 168.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.746  0.211  0.285     94.373  4.99
   2      0.246  0.711  0.285     94.373  4.99
   3      0.387  0.658  0.631     93.246  4.80
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #144 of 195 (TRIAL #92 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.246  0.711  0.285     70.168  4.99   0.0      2     94.373/    94.373

   SET #4 of 8 TRIAL #145 of 195 (TRIAL #93 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 238.05  35.85 175.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #146 of 195 (TRIAL #94 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  19.05  28.56 158.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #147 of 195 (TRIAL #95 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 237.79  44.84 165.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #148 of 195 (TRIAL #96 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  17.83  18.41 140.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #149 of 195 (TRIAL #97 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 179.04  34.85 174.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #150 of 195 (TRIAL #98 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 195.44  43.19 171.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #151 of 195 (TRIAL #99 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler   9.68  28.52 158.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #152 of 195 (TRIAL #100 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 186.87  43.84 170.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #153 of 195 (TRIAL #101 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 187.91  33.96 177.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #154 of 195 (TRIAL #102 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  78.45  33.72 128.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #155 of 195 (TRIAL #103 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 153.28  48.44 147.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #156 of 195 (TRIAL #104 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 316.39  19.88 167.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #157 of 195 (TRIAL #105 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 327.78  16.45 154.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #158 of 195 (TRIAL #106 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 231.89  24.94 180.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #159 of 195 (TRIAL #107 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler   2.25  24.79 138.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #160 of 195 (TRIAL #108 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  39.72  18.23 145.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #161 of 195 (TRIAL #109 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 155.88  44.56 156.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #162 of 195 (TRIAL #110 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 239.75  32.04 139.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.659  0.137  0.804     97.176  4.75
   2      0.159  0.637  0.804     97.176  4.75
   3      0.580  0.480  0.751     95.836  4.53
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #162 of 195 (TRIAL #110 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.580  0.480  0.751     70.948  4.53   0.0      2     95.836/    95.836
   2      0.200  0.540  0.929     69.020  4.24  39.9      2     94.139/    94.139
   3      0.580  0.200  0.242     67.474  4.28  16.4      2     94.355/    94.355
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #163 of 195 (TRIAL #111 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 273.24  25.47 218.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #164 of 195 (TRIAL #112 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 101.41   5.37 211.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #165 of 195 (TRIAL #113 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 116.19  13.91  85.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #166 of 195 (TRIAL #114 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 309.16  23.84 175.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #167 of 195 (TRIAL #115 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 201.23  44.69 195.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #168 of 195 (TRIAL #116 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 199.46  39.03 167.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #169 of 195 (TRIAL #117 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 292.60  27.12 185.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #170 of 195 (TRIAL #118 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  79.48  24.02 131.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #171 of 195 (TRIAL #119 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 111.97  29.65 155.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.306  0.946  0.543     94.166  4.88
   2      0.806  0.446  0.543     94.166  4.88
   3      0.304  0.823  0.543     93.812  4.82
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #171 of 195 (TRIAL #119 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.211  0.968  0.321     74.420  4.77   0.0      4     93.464/    93.464
   2      0.705  0.361  0.311     69.190  4.63  21.4      2     92.631/    92.631
   3      0.306  0.946  0.543     68.766  4.88  10.8      2     94.166/    94.166

   SET #4 of 8 TRIAL #172 of 195 (TRIAL #120 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 301.69  18.21 173.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #173 of 195 (TRIAL #121 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  26.73  22.17 134.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #174 of 195 (TRIAL #122 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 192.58  30.30 164.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.530  0.517  0.622     92.263  4.82
   2      0.030  0.017  0.622     92.263  4.82

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #174 of 195 (TRIAL #122 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.030  0.017  0.622     65.282  4.82   0.0      2     92.263/    92.263

   SET #4 of 8 TRIAL #175 of 195 (TRIAL #123 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 231.35  34.10 182.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #176 of 195 (TRIAL #124 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  35.72  33.64 180.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.767  0.335  0.857     97.039  4.61
   2      0.267  0.835  0.857     97.039  4.61
   3      0.271  0.842  0.863     97.033  4.60
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #176 of 195 (TRIAL #124 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.107  0.409  0.635     65.075  4.46   0.0      2     96.191/    96.191

   SET #4 of 8 TRIAL #177 of 195 (TRIAL #125 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 176.17  40.47 144.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #178 of 195 (TRIAL #126 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 101.10  20.63 108.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #179 of 195 (TRIAL #127 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 338.49  31.76 176.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #180 of 195 (TRIAL #128 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 249.99   7.32 233.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #181 of 195 (TRIAL #129 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 192.58  29.43 173.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #182 of 195 (TRIAL #130 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 205.76  41.53 180.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #183 of 195 (TRIAL #131 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 156.31  53.76 154.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #184 of 195 (TRIAL #132 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 265.40  31.79 207.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #185 of 195 (TRIAL #133 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 332.66  23.05 182.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #186 of 195 (TRIAL #134 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 350.66  28.50 175.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #187 of 195 (TRIAL #135 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 217.31  43.59 168.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #188 of 195 (TRIAL #136 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 159.77  34.09 132.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #189 of 195 (TRIAL #137 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 287.72  13.53  93.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #190 of 195 (TRIAL #138 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 148.40  38.49 144.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #191 of 195 (TRIAL #139 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  55.87  17.13 138.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #192 of 195 (TRIAL #140 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 204.04  32.65 147.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #193 of 195 (TRIAL #141 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  63.72   9.03 130.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #194 of 195 (TRIAL #142 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 153.97  41.28 171.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #195 of 195 (TRIAL #143 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  56.20  37.09 156.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

---------------------------------
DEEP TRANSLATION FUNCTION #5 OF 8
---------------------------------

   139 trial orientations in deep search

   SOLU SET  RFZ=4.5 TFZ=3.7 PAK=0 LLG=58
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  326.8   35.2  137.6 FRAC  0.13 -0.05 -0.10 BFAC -9.63
   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   87.2 RFZ  4.26

   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   85.8 RFZ  4.10

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   84.4 RFZ  3.95

   SOLU TRIAL ENSEMBLE helix_pdb EULER   51.869   24.857  151.761 RF   84.4 RFZ  3.95

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   84.2 RFZ  3.92

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.535   25.925  148.923 RF   84.1 RFZ  3.92

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.424   24.033  161.846 RF   83.9 RFZ  3.90

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   83.8 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   83.6 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   83.6 RFZ  3.86

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   83.4 RFZ  3.84

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   83.2 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   83.2 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   83.0 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  299.940   24.570  165.557 RF   82.9 RFZ  3.79

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   82.8 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   82.8 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   82.3 RFZ  3.73

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   82.2 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   82.0 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   82.0 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   82.0 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   81.9 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   81.9 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   81.8 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   81.7 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   81.7 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   81.7 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   81.7 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   81.6 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   81.5 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   81.4 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   81.3 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   81.3 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   81.2 RFZ  3.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   81.2 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   81.1 RFZ  3.59 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   81.0 RFZ  3.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   81.0 RFZ  3.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   80.8 RFZ  3.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   80.7 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   80.6 RFZ  3.53 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   80.3 RFZ  3.51 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   80.3 RFZ  3.50 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   80.3 RFZ  3.50 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   80.2 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   80.2 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   80.1 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   80.1 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   80.0 RFZ  3.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   79.9 RFZ  3.46 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   79.8 RFZ  3.45 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   79.8 RFZ  3.45 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   79.7 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   79.7 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   79.7 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   79.6 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   79.5 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   79.2 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   79.2 RFZ  3.38 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   79.1 RFZ  3.38 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.203   35.142  161.594 RF   79.0 RFZ  3.37 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   79.0 RFZ  3.36 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   78.9 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   78.9 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   78.8 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   78.8 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   78.6 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   78.6 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   78.6 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   78.5 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   74.017   36.083  212.756 RF   78.5 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.649   35.266  161.001 RF   78.5 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.771   36.460  172.722 RF   78.3 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   78.3 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   78.2 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.388   40.196  156.612 RF   78.2 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.619   48.334  196.267 RF   78.2 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.844   29.075  162.258 RF   78.2 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   29.925   26.470  156.022 RF   78.2 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.732   40.369  165.315 RF   78.1 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   78.1 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   78.0 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   77.9 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  139.502   30.142  154.811 RF   77.9 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   77.9 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.166   59.074  160.520 RF   77.9 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   77.8 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   12.483   21.810  155.358 RF   77.7 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.302   50.743  192.838 RF   77.7 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  214.423   56.768  173.963 RF   77.7 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.853   49.425  194.168 RF   77.7 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   77.6 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   93.410   30.408  100.003 RF   77.6 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.105   29.162  138.969 RF   77.5 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.453   21.186  136.283 RF   77.5 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.306   29.978  154.977 RF   77.4 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   77.3 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  131.617   36.655  164.234 RF   77.3 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   88.596   14.547  113.772 RF   77.2 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   77.2 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  108.160   30.031  138.942 RF   77.2 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.387   20.578  161.440 RF   77.1 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.561   28.504  159.572 RF   77.1 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  353.579   30.665  168.047 RF   77.1 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.078   44.065  153.168 RF   77.1 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.705   28.038  181.965 RF   77.1 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.131   39.299  209.416 RF   77.1 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.087   47.928  196.726 RF   77.1 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.262   28.939  129.773 RF   77.0 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   38.861   16.401  156.062 RF   77.0 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.581   30.297  164.048 RF   77.0 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  210.850   39.450  164.662 RF   76.9 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.614   52.183  186.085 RF   76.9 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.791   30.761  150.363 RF   76.8 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   76.8 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.275   54.297  181.356 RF   76.8 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   43.782   37.374  212.340 RF   76.7 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   82.174   32.079  212.797 RF   76.6 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.227   45.283  158.453 RF   76.6 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  251.757   23.300  178.313 RF   76.5 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.303   26.896  133.601 RF   76.5 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.047   28.565  158.082 RF   76.5 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.257   30.048  168.017 RF   76.5 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  147.239   28.399  136.646 RF   76.5 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.526   31.131  133.953 RF   76.4 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.674   29.315  136.354 RF   76.4 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.279   27.013  139.028 RF   76.4 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.182   36.981  179.693 RF   76.4 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  218.966   34.600  185.712 RF   76.4 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.765   26.601  136.983 RF   76.3 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  177.081   30.634  164.104 RF   76.2 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  233.342   30.768  159.195 RF   76.2 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.683   28.520  158.446 RF   76.2 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   21.857   46.476  196.197 RF   76.2 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.278   40.307  158.593 RF   76.2 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.791   32.132  146.853 RF   76.2 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.560   45.317  156.800 RF   76.2 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.862   32.433  178.320 RF   76.2 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.760   41.761  152.978 RF   76.1 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.296   30.768  159.195 RF   76.1 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.743   34.377  143.791 RF   75.9 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  116.193   13.908   85.859 RF   75.9 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.350   24.444   96.617 RF   75.8 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.583   40.879  160.397 RF   75.7 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.820   38.127  146.797 RF   75.7 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  182.024   40.582  148.556 RF   75.6 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.460   21.314  150.409 RF   75.6 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.828   31.579  154.758 RF   75.5 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.749   32.036  139.851 RF   75.5 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.398   57.665  177.443 RF   75.5 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   25.214   19.891  151.386 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.974   29.645  155.250 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   14.334   23.518  135.651 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   49.289   33.293  141.902 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.308   53.759  154.829 RF   75.4 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  212.936   41.167  203.145 RF   75.4 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  201.232   44.691  195.382 RF   75.4 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.474   32.698  151.429 RF   75.4 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.664   30.768  159.195 RF   75.3 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.392   19.880  167.093 RF   75.3 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  186.873   43.841  170.156 RF   75.2 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.224   25.260  140.714 RF   75.2 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.500   39.817  171.071 RF   75.1 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  191.680   46.966  185.047 RF   75.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.483   42.272  158.790 RF   75.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  137.940   55.679  141.632 RF   75.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.414    5.368  211.612 RF   75.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  215.092   52.358  172.249 RF   75.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  235.914   22.908  223.669 RF   75.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.463   11.731  223.636 RF   75.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   17.831   18.414  140.969 RF   74.9 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  270.077   26.844  178.929 RF   74.9 RFZ  2.91 # DEEP

   Scoring 519 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #5 of 8
   0%       100%
   |=========| DONE

   Mean Score (Sigma):       36.75   (10.43)

   SET #5 of 8 TRIAL #35 of 173 (TRIAL #1 of 139 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 226.10  28.67 167.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.673  0.127  0.984     97.705  4.82
   2      0.173  0.627  0.984     97.705  4.82
   3      0.717  0.606  0.105     97.516  4.79
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #35 of 173 (TRIAL #1 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.673  0.127  0.984     84.995  4.82   0.0      2     97.705/    97.705
   2      0.217  0.106  0.105     81.088  4.79  14.5      2     97.516/    97.516
   3      0.332  0.031  0.753     75.574  4.27  24.8      2     94.480/    94.480

   SET #5 of 8 TRIAL #36 of 173 (TRIAL #2 of 139 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler  89.72  37.80 148.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.770  0.419  0.034     95.700  4.95
   2      0.270  0.919  0.034     95.700  4.95
   3      0.734  0.809  0.134     95.571  4.93
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #36 of 173 (TRIAL #2 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.734  0.809  0.134     86.047  4.93   0.0      2     95.571/    95.571
   2      0.266  0.916  0.028     82.614  4.70  10.6      4     94.283/    95.700

   SET #5 of 8 TRIAL #37 of 173 (TRIAL #3 of 139 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 316.81  32.12 167.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.348  0.246  0.426     95.313  4.56
   2      0.848  0.746  0.426     95.313  4.56
   3      0.802  0.864  0.933     94.565  4.43
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #37 of 173 (TRIAL #3 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.848  0.746  0.426     80.131  4.56   0.0      2     95.313/    95.313
   2      0.802  0.864  0.933     76.865  4.43  28.9      2     94.565/    94.565

   SET #5 of 8 TRIAL #38 of 173 (TRIAL #4 of 139 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 286.88  23.04 169.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #39 of 173 (TRIAL #5 of 139 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 276.54  23.49 171.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.644  0.939  0.228     93.400  4.93
   2      0.144  0.439  0.228     93.400  4.93

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #39 of 173 (TRIAL #5 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.144  0.439  0.228     82.165  4.93   0.0      2     93.400/    93.400

   SET #5 of 8 TRIAL #40 of 173 (TRIAL #6 of 139 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 114.47  38.85 151.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.756  0.883  0.245     95.080  5.16
   2      0.256  0.383  0.245     95.080  5.16

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #40 of 173 (TRIAL #6 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.756  0.883  0.245     83.890  5.16   0.0      2     95.080/    95.080

   SET #5 of 8 TRIAL #41 of 173 (TRIAL #7 of 139 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler  56.35  20.61 156.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.432  0.532  0.833     96.784  5.26
   2      0.932  0.032  0.833     96.784  5.26
   3      0.404  0.504  0.295     95.030  4.95
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #41 of 173 (TRIAL #7 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.904  0.004  0.295     83.846  4.95   0.0      2     95.030/    95.030
   2      0.432  0.532  0.833     82.722  5.26  28.8      2     96.784/    96.784
   3      0.386  0.058  0.609     76.677  4.68  31.1      2     93.449/    93.449

   SET #5 of 8 TRIAL #42 of 173 (TRIAL #8 of 139 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 160.97  29.98 141.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.670  0.205  0.166     96.940  4.94
   2      0.170  0.705  0.166     96.940  4.94
   3      0.260  0.636  0.389     96.737  4.90
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #42 of 173 (TRIAL #8 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.828  0.077  0.518     82.047  4.48   0.0      2     94.346/    94.346
   2      0.707  0.131  0.510     80.976  4.67  11.0      2     95.429/    95.429
   3      0.170  0.705  0.166     80.254  4.94  21.8      4     96.940/    96.940
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #43 of 173 (TRIAL #9 of 139 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 350.92  26.21 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.350  0.187  0.150     96.306  5.05
   2      0.850  0.687  0.150     96.306  5.05
   3      0.848  0.691  0.147     95.026  4.84
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #43 of 173 (TRIAL #9 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.350  0.187  0.150     84.807  5.05   0.0      4     96.306/    96.306
   2      0.884  0.729  0.453     74.879  4.78  31.4      2     94.635/    94.635

   SET #5 of 8 TRIAL #44 of 173 (TRIAL #10 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  72.90  36.76 146.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.777  0.365  0.031     96.347  5.03
   2      0.277  0.865  0.031     96.347  5.03
   3      0.781  0.366  0.037     95.725  4.92
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #44 of 173 (TRIAL #10 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.777  0.365  0.031     82.252  5.03   0.0      4     96.347/    96.347

   SET #5 of 8 TRIAL #45 of 173 (TRIAL #11 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 133.57  27.81 141.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.299  0.600  0.190     97.528  5.41
   2      0.799  0.100  0.190     97.528  5.41
   3      0.327  0.629  0.734     94.501  4.90
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #45 of 173 (TRIAL #11 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.799  0.100  0.190     88.809  5.41   0.0      2     97.528/    97.528
   2      0.610  0.321  0.006     79.895  4.72  14.3      4     93.452/    94.054
   3      0.327  0.629  0.734     79.135  4.90  18.8      2     94.501/    94.501

   SET #5 of 8 TRIAL #46 of 173 (TRIAL #12 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 351.88  21.68 148.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.794  0.142  0.258     93.362  5.02
   2      0.294  0.642  0.258     93.362  5.02

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #46 of 173 (TRIAL #12 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.794  0.142  0.258     83.003  5.02   0.0      2     93.362/    93.362

   SET #5 of 8 TRIAL #47 of 173 (TRIAL #13 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 170.10  30.70 141.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 20 sites over 67.5% of top
   20 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.317  0.558  0.520     97.208  4.99
   2      0.817  0.058  0.520     97.208  4.99
   3      0.350  0.113  0.835     97.101  4.97
   #Sites = 20: output truncated to 3 sites

   Top 20 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #47 of 173 (TRIAL #13 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.817  0.058  0.520     84.310  4.99   0.0      4     97.208/    97.208
   2      0.224  0.186  0.832     81.044  4.77  20.3      2     95.958/    95.958
   3      0.661  0.172  0.167     79.441  4.70  17.3      2     95.567/    95.567
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #48 of 173 (TRIAL #14 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 331.02  25.47 151.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.360  0.047  0.447     95.651  4.85
   2      0.860  0.547  0.447     95.651  4.85
   3      0.393  0.035  0.787     95.378  4.81
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #48 of 173 (TRIAL #14 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.687  0.434  0.004     80.749  4.48   0.0      2     93.433/    93.433
   2      0.393  0.035  0.787     80.035  4.81  21.2      2     95.378/    95.378
   3      0.360  0.047  0.447     76.323  4.85  27.6      2     95.651/    95.651

   SET #5 of 8 TRIAL #49 of 173 (TRIAL #15 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  94.86  34.47 153.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.757  0.516  0.048     99.717  5.18
   2      0.257  0.016  0.048     99.717  5.18
   3      0.784  0.944  0.581     97.494  4.81
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #49 of 173 (TRIAL #15 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.784  0.944  0.581     82.152  4.81   0.0      4     97.494/    97.494
   2      0.757  0.516  0.048     76.438  5.18  32.9      2     99.717/    99.717
   3      0.728  0.970  0.684     71.160  4.67  10.7      2     96.644/    96.644
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #50 of 173 (TRIAL #16 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 168.78  39.95 163.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.249  0.733  0.121     95.523  5.28
   2      0.749  0.233  0.121     95.523  5.28
   3      0.360  0.723  0.877     95.081  5.20
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #50 of 173 (TRIAL #16 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.864  0.225  0.883     84.208  4.90   0.0      4     93.349/    95.081
   2      0.249  0.733  0.121     84.020  5.28  15.6      2     95.523/    95.523

   SET #5 of 8 TRIAL #51 of 173 (TRIAL #17 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 246.31  25.15 174.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #52 of 173 (TRIAL #18 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  10.68  27.05 148.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.803  0.229  0.035     94.973  4.85
   2      0.303  0.729  0.035     94.973  4.85
   3      0.562  0.629  0.678     94.894  4.83
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #52 of 173 (TRIAL #18 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.562  0.629  0.678     77.207  4.83   0.0      2     94.894/    94.894
   2      0.856  0.655  0.153     77.194  4.66  24.3      2     93.873/    93.873
   3      0.303  0.729  0.035     73.677  4.85  14.2      2     94.973/    94.973

   SET #5 of 8 TRIAL #53 of 173 (TRIAL #19 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 217.47  27.18 176.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #54 of 173 (TRIAL #20 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 248.33  29.35 162.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.252  0.079  0.865     95.607  4.79
   2      0.752  0.579  0.865     95.607  4.79
   3      0.274  0.213  0.035     95.497  4.77
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #54 of 173 (TRIAL #20 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.252  0.079  0.865     75.954  4.79   0.0      4     95.607/    95.607
   2      0.774  0.713  0.035     75.575  4.77  11.9      2     95.497/    95.497

   SET #5 of 8 TRIAL #55 of 173 (TRIAL #21 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 219.01  39.25 165.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #56 of 173 (TRIAL #22 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 168.90  35.29 142.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #57 of 173 (TRIAL #23 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 296.42  20.58 159.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.811  0.016  0.147     95.910  5.51
   2      0.311  0.516  0.147     95.910  5.51
   3      0.695  0.965  0.134     93.485  5.09
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #57 of 173 (TRIAL #23 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.311  0.516  0.147     83.504  5.51   0.0      2     95.910/    95.910
   2      0.695  0.965  0.134     78.361  5.09  20.5      2     93.485/    93.485

   SET #5 of 8 TRIAL #58 of 173 (TRIAL #24 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 152.55  30.04 150.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 20 sites over 67.5% of top
   20 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.255  0.544  0.387     99.512  5.14
   2      0.755  0.044  0.387     99.512  5.14
   3      0.250  0.548  0.382     98.795  5.03
   #Sites = 20: output truncated to 3 sites

   Top 20 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #58 of 173 (TRIAL #24 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.981  0.756  0.786     84.029  4.48   0.0      4     95.463/    96.272
   2      0.725  0.629  0.822     81.093  4.82  25.3      2     97.496/    97.496
   3      0.755  0.044  0.387     75.052  5.14  21.0      4     99.512/    99.512
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #59 of 173 (TRIAL #25 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 322.82  28.56 160.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.354  0.136  0.436     97.749  5.11
   2      0.854  0.636  0.436     97.749  5.11
   3      0.360  0.132  0.444     97.020  4.99
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #59 of 173 (TRIAL #25 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.854  0.636  0.436     79.985  5.11   0.0      4     97.749/    97.749
   2      0.773  0.602  0.022     78.723  4.87  22.3      4     96.287/    96.287
   3      0.634  0.515  0.883     76.923  4.75  27.1      2     95.553/    95.553
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #60 of 173 (TRIAL #26 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  30.36  24.91 165.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.346  0.486  0.365     93.991  4.72
   2      0.846  0.986  0.365     93.991  4.72
   3      0.840  0.990  0.360     93.966  4.72
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #60 of 173 (TRIAL #26 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.346  0.486  0.365     80.775  4.72   0.0      4     93.991/    93.991

   SET #5 of 8 TRIAL #61 of 173 (TRIAL #27 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 232.62  37.51 171.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #62 of 173 (TRIAL #28 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 204.20  35.14 161.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.698  0.292  0.401     92.064  4.84
   2      0.198  0.792  0.401     92.064  4.84

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #62 of 173 (TRIAL #28 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.698  0.292  0.401     71.892  4.84   0.0      2     92.064/    92.064

   SET #5 of 8 TRIAL #63 of 173 (TRIAL #29 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 260.28  37.31 170.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.426  0.120  0.969     94.892  5.63
   2      0.926  0.620  0.969     94.892  5.63

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #63 of 173 (TRIAL #29 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.926  0.620  0.969     90.668  5.63   0.0      2     94.892/    94.892

   SET #5 of 8 TRIAL #64 of 173 (TRIAL #30 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 285.32  35.80 173.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #65 of 173 (TRIAL #31 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 188.54  36.06 151.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #66 of 173 (TRIAL #32 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 335.56  60.15 153.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #67 of 173 (TRIAL #33 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  27.07  27.83 147.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.399  0.445  0.084     92.619  4.81
   2      0.899  0.945  0.084     92.619  4.81

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #67 of 173 (TRIAL #33 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.899  0.945  0.084     78.583  4.81   0.0      2     92.619/    92.619

   SET #5 of 8 TRIAL #68 of 173 (TRIAL #34 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 163.57  39.98 158.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #69 of 173 (TRIAL #35 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 221.27  34.97 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #70 of 173 (TRIAL #36 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 155.42  39.96 157.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #71 of 173 (TRIAL #37 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 302.48  34.53 174.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #72 of 173 (TRIAL #38 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  74.02  36.08 212.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #73 of 173 (TRIAL #39 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 195.65  35.27 161.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #74 of 173 (TRIAL #40 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 276.77  36.46 172.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #75 of 173 (TRIAL #41 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 248.54  40.68 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #76 of 173 (TRIAL #42 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 174.84  35.22 168.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.364  0.411  0.875     92.965  4.87
   2      0.864  0.911  0.875     92.965  4.87

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #76 of 173 (TRIAL #42 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.364  0.411  0.875     81.974  4.87   0.0      2     92.965/    92.965

   SET #5 of 8 TRIAL #77 of 173 (TRIAL #43 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 183.39  40.20 156.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #78 of 173 (TRIAL #44 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 242.62  48.33 196.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #79 of 173 (TRIAL #45 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 266.84  29.07 162.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.320  0.068  0.978     95.281  4.94
   2      0.820  0.568  0.978     95.281  4.94
   3      0.747  0.084  0.425     93.875  4.71
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #79 of 173 (TRIAL #45 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.827  0.567  0.989     74.215  4.70   0.0      4     93.787/    95.281
   2      0.747  0.084  0.425     68.118  4.71  33.6      2     93.875/    93.875

   SET #5 of 8 TRIAL #80 of 173 (TRIAL #46 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  29.93  26.47 156.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #81 of 173 (TRIAL #47 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 264.73  40.37 165.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #82 of 173 (TRIAL #48 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 165.48  35.57 167.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.656  0.140  0.547     93.568  4.89
   2      0.156  0.640  0.547     93.568  4.89

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #82 of 173 (TRIAL #48 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.656  0.140  0.547     79.026  4.89   0.0      2     93.568/    93.568

   SET #5 of 8 TRIAL #83 of 173 (TRIAL #49 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 352.12  21.60 169.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #84 of 173 (TRIAL #50 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 224.30  30.75 179.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #85 of 173 (TRIAL #51 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 139.50  30.14 154.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 34 sites over 67.5% of top
   34 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.704  0.136  0.878     99.105  5.28
   2      0.204  0.636  0.878     99.105  5.28
   3      0.254  0.530  0.378     98.825  5.24
   #Sites = 34: output truncated to 3 sites

   Top 34 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #85 of 173 (TRIAL #51 of 139 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.181  0.916  0.103     80.124  4.46   0.0      2     93.844/    93.844
   2      0.704  0.136  0.878     78.866  5.28  11.2      4     99.105/    99.105
   3      0.737  0.036  0.829     73.507  4.96   6.5      4     97.012/    97.469
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #86 of 173 (TRIAL #52 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  60.80  26.59 129.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #87 of 173 (TRIAL #53 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 204.17  59.07 160.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #88 of 173 (TRIAL #54 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  42.56  32.81 151.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #89 of 173 (TRIAL #55 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  12.48  21.81 155.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #90 of 173 (TRIAL #56 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 194.30  50.74 192.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #91 of 173 (TRIAL #57 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 214.42  56.77 173.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #92 of 173 (TRIAL #58 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  55.85  49.43 194.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #93 of 173 (TRIAL #59 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  10.94  21.02 165.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #94 of 173 (TRIAL #60 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  93.41  30.41 100.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #95 of 173 (TRIAL #61 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  99.11  29.16 138.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #96 of 173 (TRIAL #62 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  84.45  21.19 136.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #97 of 173 (TRIAL #63 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 130.31  29.98 154.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 24 sites over 67.5% of top
   24 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.715  0.150  0.877     98.795  5.38
   2      0.215  0.650  0.877     98.795  5.38
   3      0.739  0.053  0.817     96.749  5.06
   #Sites = 24: output truncated to 3 sites

   Top 24 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #97 of 173 (TRIAL #63 of 139 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.215  0.650  0.877     79.514  5.38   0.0      4     98.795/    98.795
   2      0.216  0.914  0.377     76.536  4.98  32.3      2     96.223/    96.223
   3      0.262  0.073  0.486     73.112  4.75  29.6      4     94.781/    94.781
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #98 of 173 (TRIAL #64 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 207.91  27.89 176.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.342  0.075  0.631     92.970  5.18
   2      0.842  0.575  0.631     92.970  5.18

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #98 of 173 (TRIAL #64 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.842  0.575  0.631     81.595  5.18   0.0      2     92.970/    92.970

   SET #5 of 8 TRIAL #99 of 173 (TRIAL #65 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 131.62  36.65 164.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.665  0.406  0.934     95.385  5.31
   2      0.165  0.906  0.934     95.385  5.31
   3      0.670  0.412  0.942     93.227  4.94
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #99 of 173 (TRIAL #65 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.665  0.406  0.934     80.738  5.31   0.0      4     95.385/    95.385
   2      0.689  0.832  0.478     79.915  4.91  27.4      2     93.071/    93.071

   SET #5 of 8 TRIAL #100 of 173 (TRIAL #66 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  88.60  14.55 113.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #101 of 173 (TRIAL #67 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  34.98  58.45 174.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #102 of 173 (TRIAL #68 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 108.16  30.03 138.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #103 of 173 (TRIAL #69 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 285.39  20.58 161.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.798  0.997  0.144     94.174  5.76
   2      0.298  0.497  0.144     94.174  5.76
   3      0.794  0.992  0.138     92.123  5.39
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #103 of 173 (TRIAL #69 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.294  0.492  0.138     83.803  5.39   0.0      4     92.123/    94.174

   SET #5 of 8 TRIAL #104 of 173 (TRIAL #70 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 341.56  28.50 159.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.368  0.194  0.444     92.983  4.87
   2      0.868  0.694  0.444     92.983  4.87

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #104 of 173 (TRIAL #70 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.368  0.194  0.444     76.015  4.87   0.0      2     92.983/    92.983

   SET #5 of 8 TRIAL #105 of 173 (TRIAL #71 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 353.58  30.67 168.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.488  0.351  0.777     93.425  4.71
   2      0.988  0.851  0.777     93.425  4.71
   3      0.451  0.769  0.118     93.320  4.70
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #105 of 173 (TRIAL #71 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.951  0.269  0.118     71.214  4.70   0.0      2     93.320/    93.320
   2      0.988  0.851  0.777     65.245  4.71  26.0      2     93.425/    93.425

   SET #5 of 8 TRIAL #106 of 173 (TRIAL #72 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 140.08  44.06 153.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #107 of 173 (TRIAL #73 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 304.70  28.04 181.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #108 of 173 (TRIAL #74 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  37.13  39.30 209.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #109 of 173 (TRIAL #75 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  63.09  47.93 196.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #110 of 173 (TRIAL #76 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  79.26  28.94 129.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #111 of 173 (TRIAL #77 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  38.86  16.40 156.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #112 of 173 (TRIAL #78 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 192.58  30.30 164.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.593  0.255  0.855     95.517  5.11
   2      0.093  0.755  0.855     95.517  5.11

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #112 of 173 (TRIAL #78 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.593  0.255  0.855     82.068  5.11   0.0      2     95.517/    95.517

   SET #5 of 8 TRIAL #113 of 173 (TRIAL #79 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 210.85  39.45 164.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #114 of 173 (TRIAL #80 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 232.61  52.18 186.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #115 of 173 (TRIAL #81 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 170.79  30.76 150.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.467  0.201  0.788     94.229  4.79
   2      0.967  0.701  0.788     94.229  4.79
   3      0.265  0.492  0.940     92.972  4.59
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #115 of 173 (TRIAL #81 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.467  0.201  0.788     81.189  4.79   0.0      2     94.229/    94.229

   SET #5 of 8 TRIAL #116 of 173 (TRIAL #82 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 207.45  29.35 167.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.658  0.176  0.975     93.506  5.06
   2      0.158  0.676  0.975     93.506  5.06

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #116 of 173 (TRIAL #82 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.658  0.176  0.975     78.911  5.06   0.0      2     93.506/    93.506

   SET #5 of 8 TRIAL #117 of 173 (TRIAL #83 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 227.28  54.30 181.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #118 of 173 (TRIAL #84 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  43.78  37.37 212.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.300  0.230  0.696     92.102  5.74
   2      0.800  0.730  0.696     92.102  5.74

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #118 of 173 (TRIAL #84 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.800  0.730  0.696     84.031  5.74   0.0      2     92.102/    92.102

   SET #5 of 8 TRIAL #119 of 173 (TRIAL #85 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  82.17  32.08 212.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #120 of 173 (TRIAL #86 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 206.23  45.28 158.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #121 of 173 (TRIAL #87 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 251.76  23.30 178.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #122 of 173 (TRIAL #88 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  47.30  26.90 133.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #123 of 173 (TRIAL #89 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  19.05  28.56 158.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.392  0.850  0.466     92.482  4.83
   2      0.892  0.350  0.466     92.482  4.83

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #123 of 173 (TRIAL #89 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.892  0.350  0.466     71.639  4.83   0.0      2     92.482/    92.482

   SET #5 of 8 TRIAL #124 of 173 (TRIAL #90 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler   9.26  30.05 168.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.432  0.320  0.573     94.591  4.90
   2      0.932  0.820  0.573     94.591  4.90
   3      0.428  0.324  0.569     94.023  4.80
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #124 of 173 (TRIAL #90 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.432  0.320  0.573     72.372  4.90   0.0      4     94.591/    94.591
   2      0.802  0.400  0.455     70.546  4.70  20.5      2     93.437/    93.437

   SET #5 of 8 TRIAL #125 of 173 (TRIAL #91 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 147.24  28.40 136.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #126 of 173 (TRIAL #92 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  84.53  31.13 133.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.629  0.883  0.495     92.808  5.49
   2      0.129  0.383  0.495     92.808  5.49
   3      0.628  0.461  0.496     91.600  5.29
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #126 of 173 (TRIAL #92 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.629  0.883  0.495     72.210  5.49   0.0      2     92.808/    92.808
   2      0.628  0.461  0.496     69.570  5.29  10.0      2     91.600/    91.600

   SET #5 of 8 TRIAL #127 of 173 (TRIAL #93 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 156.67  29.32 136.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #128 of 173 (TRIAL #94 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  31.28  27.01 139.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.838  0.690  0.581     92.590  5.32
   2      0.338  0.190  0.581     92.590  5.32

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #128 of 173 (TRIAL #94 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.838  0.690  0.581     80.167  5.32   0.0      2     92.590/    92.590

   SET #5 of 8 TRIAL #129 of 173 (TRIAL #95 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 206.18  36.98 179.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #130 of 173 (TRIAL #96 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 218.97  34.60 185.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #131 of 173 (TRIAL #97 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 128.76  26.60 136.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #132 of 173 (TRIAL #98 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 177.08  30.63 164.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.693  0.793  0.077     92.915  4.71
   2      0.193  0.293  0.077     92.915  4.71

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #132 of 173 (TRIAL #98 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.693  0.793  0.077     71.976  4.71   0.0      2     92.915/    92.915

   SET #5 of 8 TRIAL #133 of 173 (TRIAL #99 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 233.34  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.225  0.160  0.850     96.804  5.39
   2      0.725  0.660  0.850     96.804  5.39
   3      0.234  0.171  0.632     95.318  5.16
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #133 of 173 (TRIAL #99 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.725  0.660  0.850     71.792  5.39   0.0      4     96.804/    96.804
   2      0.452  0.071  0.186     71.411  4.98  17.9      2     94.192/    94.192
   3      0.234  0.171  0.632     65.620  5.16  35.2      2     95.318/    95.318

   SET #5 of 8 TRIAL #134 of 173 (TRIAL #100 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler   9.68  28.52 158.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.393  0.806  0.465     92.141  4.78
   2      0.893  0.306  0.465     92.141  4.78

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #134 of 173 (TRIAL #100 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.893  0.306  0.465     72.183  4.78   0.0      2     92.141/    92.141

   SET #5 of 8 TRIAL #135 of 173 (TRIAL #101 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  21.86  46.48 196.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #136 of 173 (TRIAL #102 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 197.28  40.31 158.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #137 of 173 (TRIAL #103 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 194.79  32.13 146.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.509  0.139  0.913     93.478  4.86
   2      0.009  0.639  0.913     93.478  4.86

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #137 of 173 (TRIAL #103 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.009  0.639  0.913     79.853  4.86   0.0      2     93.478/    93.478

   SET #5 of 8 TRIAL #138 of 173 (TRIAL #104 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 197.56  45.32 156.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #139 of 173 (TRIAL #105 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 206.86  32.43 178.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #140 of 173 (TRIAL #106 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 209.76  41.76 152.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #141 of 173 (TRIAL #107 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 224.30  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.228  0.207  0.632     94.463  5.08
   2      0.728  0.707  0.632     94.463  5.08
   3      0.219  0.189  0.849     94.154  5.04
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #141 of 173 (TRIAL #107 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.946  0.596  0.184     70.835  4.94   0.0      2     93.509/    93.509
   2      0.728  0.707  0.632     69.019  5.08  27.0      2     94.463/    94.463
   3      0.219  0.189  0.849     66.791  5.04  17.1      2     94.154/    94.154

   SET #5 of 8 TRIAL #142 of 173 (TRIAL #108 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  37.74  34.38 143.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #143 of 173 (TRIAL #109 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 116.19  13.91  85.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #144 of 173 (TRIAL #110 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 300.35  24.44  96.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #145 of 173 (TRIAL #111 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 125.58  40.88 160.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #146 of 173 (TRIAL #112 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 136.82  38.13 146.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #147 of 173 (TRIAL #113 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 182.02  40.58 148.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #148 of 173 (TRIAL #114 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  89.46  21.31 150.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #149 of 173 (TRIAL #115 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 209.83  31.58 154.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #150 of 173 (TRIAL #116 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 239.75  32.04 139.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.375  0.203  0.757     96.552  4.67
   2      0.875  0.703  0.757     96.552  4.67
   3      0.662  0.799  0.293     95.259  4.46
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #150 of 173 (TRIAL #116 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.375  0.203  0.757     70.964  4.67   0.0      2     96.552/    96.552
   2      0.373  0.661  0.754     69.580  4.31  10.9      2     94.346/    94.346

   SET #5 of 8 TRIAL #151 of 173 (TRIAL #117 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  42.40  57.67 177.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #152 of 173 (TRIAL #118 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  25.21  19.89 151.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #153 of 173 (TRIAL #119 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 111.97  29.65 155.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.283  0.099  0.484     96.384  5.24
   2      0.783  0.599  0.484     96.384  5.24
   3      0.734  0.071  0.263     94.231  4.90
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #153 of 173 (TRIAL #119 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.783  0.599  0.484     76.045  5.24   0.0      2     96.384/    96.384
   2      0.734  0.071  0.263     71.340  4.90  16.2      2     94.231/    94.231

   SET #5 of 8 TRIAL #154 of 173 (TRIAL #120 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  14.33  23.52 135.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #155 of 173 (TRIAL #121 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  49.29  33.29 141.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.751  0.245  0.917     92.354  5.43
   2      0.251  0.745  0.917     92.354  5.43

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #155 of 173 (TRIAL #121 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.751  0.245  0.917     81.542  5.43   0.0      2     92.354/    92.354

   SET #5 of 8 TRIAL #156 of 173 (TRIAL #122 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 156.31  53.76 154.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #157 of 173 (TRIAL #123 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 212.94  41.17 203.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #158 of 173 (TRIAL #124 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 201.23  44.69 195.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #159 of 173 (TRIAL #125 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 221.47  32.70 151.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #160 of 173 (TRIAL #126 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 296.66  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.302  0.588  0.541     94.132  4.95
   2      0.802  0.088  0.541     94.132  4.95
   3      0.767  0.595  0.315     93.073  4.78
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #160 of 173 (TRIAL #126 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.802  0.088  0.541     65.127  4.95   0.0      2     94.132/    94.132
   2      0.767  0.595  0.315     64.401  4.78  17.2      2     93.073/    93.073

   SET #5 of 8 TRIAL #161 of 173 (TRIAL #127 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 316.39  19.88 167.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #162 of 173 (TRIAL #128 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 186.87  43.84 170.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #163 of 173 (TRIAL #129 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  52.22  25.26 140.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #164 of 173 (TRIAL #130 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 174.50  39.82 171.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #165 of 173 (TRIAL #131 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 191.68  46.97 185.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #166 of 173 (TRIAL #132 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 242.48  42.27 158.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #167 of 173 (TRIAL #133 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 137.94  55.68 141.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #168 of 173 (TRIAL #134 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 101.41   5.37 211.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #169 of 173 (TRIAL #135 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 215.09  52.36 172.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #170 of 173 (TRIAL #136 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 235.91  22.91 223.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #171 of 173 (TRIAL #137 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  72.46  11.73 223.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #172 of 173 (TRIAL #138 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  17.83  18.41 140.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #173 of 173 (TRIAL #139 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 270.08  26.84 178.93 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

---------------------------------
DEEP TRANSLATION FUNCTION #6 OF 8
---------------------------------

   125 trial orientations in deep search

   SOLU SET  RFZ=4.6 TFZ=3.4 PAK=0 LLG=58
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  124.5   28.2  182.8 FRAC -0.17 -0.02 -0.49 BFAC -9.05
   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   85.3 RFZ  4.07

   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   85.2 RFZ  4.05

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.424   24.033  161.846 RF   84.4 RFZ  3.96

   SOLU TRIAL ENSEMBLE helix_pdb EULER   51.869   24.857  151.761 RF   84.2 RFZ  3.94

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.535   25.925  148.923 RF   84.2 RFZ  3.94

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   83.9 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   83.6 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   83.4 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   83.2 RFZ  3.83

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   83.1 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   83.0 RFZ  3.81

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.201   26.601  163.128 RF   82.6 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   82.6 RFZ  3.76

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   82.5 RFZ  3.75

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   82.2 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   82.2 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   82.1 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   82.1 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   81.8 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   81.7 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   81.5 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   81.4 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   81.3 RFZ  3.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   81.2 RFZ  3.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   81.1 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   81.1 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   80.9 RFZ  3.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   80.8 RFZ  3.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   80.7 RFZ  3.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   80.7 RFZ  3.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   80.7 RFZ  3.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   80.7 RFZ  3.55 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   80.5 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   80.5 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   80.5 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   80.4 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   80.4 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   80.3 RFZ  3.51 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   80.3 RFZ  3.51 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   80.2 RFZ  3.50 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   80.1 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   80.1 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   80.0 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   79.7 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   79.7 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   79.7 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   79.7 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   79.5 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   79.1 RFZ  3.37 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   79.0 RFZ  3.37 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   78.9 RFZ  3.36 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   78.9 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   78.9 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   78.8 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   78.7 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   78.6 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   78.6 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   78.5 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   78.5 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   29.925   26.470  156.022 RF   78.5 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   78.3 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   78.3 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   74.017   36.083  212.756 RF   78.3 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   78.0 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   78.0 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.853   49.425  194.168 RF   77.9 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   77.9 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   77.8 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.844   29.075  162.258 RF   77.8 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   77.7 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   77.7 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   77.7 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   77.6 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.203   35.142  161.594 RF   77.5 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.561   28.504  159.572 RF   77.4 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.388   40.196  156.612 RF   77.4 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.087   47.928  196.726 RF   77.4 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.683   28.520  158.446 RF   77.4 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.047   28.565  158.082 RF   77.2 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   77.1 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   82.174   32.079  212.797 RF   77.0 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   76.9 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   76.9 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   76.9 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.262   28.939  129.773 RF   76.9 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.398   57.665  177.443 RF   76.8 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.131   39.299  209.416 RF   76.8 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   21.857   46.476  196.197 RF   76.7 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   76.7 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   76.7 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   76.7 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   76.7 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.619   48.334  196.267 RF   76.7 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  108.160   30.031  138.942 RF   76.7 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.649   35.266  161.001 RF   76.6 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.791   30.761  150.363 RF   76.6 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.771   36.460  172.722 RF   76.6 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.296   30.768  159.195 RF   76.4 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   76.4 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  139.502   30.142  154.811 RF   76.3 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   12.483   21.810  155.358 RF   76.3 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.105   29.162  138.969 RF   76.3 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.581   30.297  164.048 RF   76.2 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  147.239   28.399  136.646 RF   76.2 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   76.2 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   76.1 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.279   27.013  139.028 RF   76.1 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.110   30.878  154.447 RF   76.0 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  214.423   56.768  173.963 RF   76.0 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  233.342   30.768  159.195 RF   76.0 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.791   32.132  146.853 RF   76.0 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.560   45.317  156.800 RF   75.9 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   93.410   30.408  100.003 RF   75.9 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.828   31.579  154.758 RF   75.9 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.306   29.978  154.977 RF   75.8 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.341   42.998  110.954 RF   75.8 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.765   26.601  136.983 RF   75.8 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  131.617   36.655  164.234 RF   75.7 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.453   21.186  136.283 RF   75.6 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.182   36.981  179.693 RF   75.6 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  210.850   39.450  164.662 RF   75.6 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.674   29.315  136.354 RF   75.6 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.303   26.896  133.601 RF   75.5 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.732   40.369  165.315 RF   75.5 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.227   45.283  158.453 RF   75.5 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.526   31.131  133.953 RF   75.5 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.974   29.645  155.250 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  251.757   23.300  178.313 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   88.596   14.547  113.772 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.463   11.731  223.636 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  306.520   14.352   74.543 RF   75.3 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.387   20.578  161.440 RF   75.3 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.350   24.444   96.617 RF   75.3 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  353.579   30.665  168.047 RF   75.3 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   38.861   16.401  156.062 RF   75.3 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.302   50.743  192.838 RF   75.2 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.705   28.038  181.965 RF   75.2 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.749   32.036  139.851 RF   75.2 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  177.081   30.634  164.104 RF   75.2 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.257   30.048  168.017 RF   75.2 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.724   13.530   93.504 RF   75.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.278   40.307  158.593 RF   75.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.078   44.065  153.168 RF   75.1 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.760   41.761  152.978 RF   75.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.414    5.368  211.612 RF   75.0 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.862   32.433  178.320 RF   75.0 RFZ  2.92 # DEEP

   Scoring 588 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #6 of 8
   0%      100%
   |========| DONE

   Mean Score (Sigma):       35.13   (10.68)

   SET #6 of 8 TRIAL #23 of 147 (TRIAL #1 of 125 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 114.47  38.85 151.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #24 of 147 (TRIAL #2 of 125 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 243.79  38.08 168.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.569  0.407  0.299     92.320  4.89
   2      0.069  0.907  0.299     92.320  4.89

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #24 of 147 (TRIAL #2 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.569  0.407  0.299     80.257  4.89   0.0      2     92.320/    92.320

   SET #6 of 8 TRIAL #25 of 147 (TRIAL #3 of 125 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 332.57  27.01 170.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #26 of 147 (TRIAL #4 of 125 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 125.04  28.98 150.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 26 sites over 67.5% of top
   26 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.497  0.208  0.937     101.94  5.40
   2      0.997  0.708  0.937     101.94  5.40
   3      0.544  0.803  0.049     100.73  5.20
   #Sites = 26: output truncated to 3 sites

   Top 26 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #26 of 147 (TRIAL #4 of 125 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.497  0.208  0.937     78.594  5.40   0.0      2     101.94/    101.94
   2      0.544  0.803  0.049     76.082  5.20  10.6      2     100.73/    100.73
   3      0.497  0.820  0.937     75.259  4.90   9.2      2      98.84/     98.84
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #27 of 147 (TRIAL #5 of 125 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 240.92  26.84 170.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.533  0.566  0.371     97.528  5.32
   2      0.033  0.066  0.371     97.528  5.32
   3      0.602  0.738  0.212     94.801  4.85
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #27 of 147 (TRIAL #5 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.533  0.566  0.371     82.258  5.32   0.0      2     97.528/    97.528
   2      0.602  0.738  0.212     80.310  4.85  15.5      2     94.801/    94.801

   SET #6 of 8 TRIAL #28 of 147 (TRIAL #6 of 125 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 281.57  33.45 166.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.532  0.873  0.979     96.278  4.99
   2      0.032  0.373  0.979     96.278  4.99
   3      0.711  0.779  0.535     93.633  4.55
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #28 of 147 (TRIAL #6 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.532  0.873  0.979     80.162  4.99   0.0      2     96.278/    96.278
   2      0.211  0.279  0.535     78.299  4.55  26.2      2     93.633/    93.633

   SET #6 of 8 TRIAL #29 of 147 (TRIAL #7 of 125 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 290.39  33.10 166.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.496  0.341  0.866     96.111  4.92
   2      0.996  0.841  0.866     96.111  4.92

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #29 of 147 (TRIAL #7 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.996  0.841  0.866     75.104  4.92   0.0      2     96.111/    96.111

   SET #6 of 8 TRIAL #30 of 147 (TRIAL #8 of 125 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler  66.88  34.65 143.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #31 of 147 (TRIAL #9 of 125 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler  89.72  37.80 148.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.584  0.533  0.237     95.786  5.25
   2      0.084  0.033  0.237     95.786  5.25

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #31 of 147 (TRIAL #9 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.084  0.033  0.237     80.560  5.25   0.0      2     95.786/    95.786

   SET #6 of 8 TRIAL #32 of 147 (TRIAL #10 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler   1.14  23.98 157.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.387  0.830  0.216     93.760  4.94
   2      0.887  0.330  0.216     93.760  4.94
   3      0.542  0.897  0.015     92.753  4.78
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #32 of 147 (TRIAL #10 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.387  0.830  0.216     76.601  4.94   0.0      2     93.760/    93.760
   2      0.542  0.897  0.015     75.804  4.78  19.7      2     92.753/    92.753

   SET #6 of 8 TRIAL #33 of 147 (TRIAL #11 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 133.57  27.81 141.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #34 of 147 (TRIAL #12 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 350.92  26.21 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.587  0.870  0.233     92.786  4.62
   2      0.087  0.370  0.233     92.786  4.62
   3      0.377  0.826  0.796     92.780  4.62
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #34 of 147 (TRIAL #12 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.877  0.326  0.796     80.760  4.62   0.0      2     92.780/    92.780

   SET #6 of 8 TRIAL #35 of 147 (TRIAL #13 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 170.10  30.70 141.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.554  0.731  0.849     95.729  4.91
   2      0.054  0.231  0.849     95.729  4.91
   3      0.552  0.731  0.848     95.411  4.85
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #35 of 147 (TRIAL #13 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.554  0.731  0.849     79.612  4.91   0.0      4     95.729/    95.729

   SET #6 of 8 TRIAL #36 of 147 (TRIAL #14 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 238.45  34.59 163.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.485  0.907  0.958     97.806  5.29
   2      0.985  0.407  0.958     97.806  5.29
   3      0.485  0.304  0.957     97.063  5.17
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #36 of 147 (TRIAL #14 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.985  0.407  0.958     78.077  5.29   0.0      4     97.806/    97.806
   2      0.583  0.817  0.413     76.394  4.66  31.8      2     93.985/    93.985
   3      0.985  0.804  0.957     75.022  5.17   9.5      2     97.063/    97.063
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #37 of 147 (TRIAL #15 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  86.17  34.18 153.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 34 sites over 67.5% of top
   34 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.576  0.138  0.029     101.97  5.50
   2      0.076  0.638  0.029     101.97  5.50
   3      0.576  0.582  0.027      99.51  5.09
   #Sites = 34: output truncated to 3 sites

   Top 34 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #37 of 147 (TRIAL #15 of 125 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.914  0.514  0.467     81.536  4.35   0.0      2     94.999/    94.999
   2      0.576  0.138  0.029     80.632  5.50  26.6      2    101.973/   101.973
   3      0.025  0.634  0.916     79.538  4.73  23.4      2     97.287/    97.287
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #38 of 147 (TRIAL #16 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 351.88  21.68 148.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #39 of 147 (TRIAL #17 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 160.97  29.98 141.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #40 of 147 (TRIAL #18 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 231.17  27.28 171.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.591  0.748  0.208     96.356  5.06
   2      0.091  0.248  0.208     96.356  5.06
   3      0.523  0.568  0.370     95.501  4.91
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #40 of 147 (TRIAL #18 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.275  0.647  0.307     79.947  4.80   0.0      2     94.856/    94.856
   2      0.591  0.748  0.208     79.796  5.06  24.8      2     96.356/    96.356
   3      0.524  0.767  0.870     79.754  4.69  27.4      2     94.199/    94.199
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #41 of 147 (TRIAL #19 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 276.54  23.49 171.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.599  0.135  0.109     93.770  5.31
   2      0.099  0.635  0.109     93.770  5.31
   3      0.379  0.099  0.898     93.370  5.24
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #41 of 147 (TRIAL #19 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.099  0.635  0.109     80.648  5.31   0.0      2     93.770/    93.770
   2      0.723  0.143  0.529     79.599  5.05  21.2      2     92.227/    92.227
   3      0.879  0.599  0.898     79.152  5.24   2.5      2     93.370/    93.370

   SET #6 of 8 TRIAL #42 of 147 (TRIAL #20 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 179.38  35.69 151.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.471  0.191  0.947     95.960  5.14
   2      0.971  0.691  0.947     95.960  5.14
   3      0.487  0.654  0.168     94.689  4.93
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #42 of 147 (TRIAL #20 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.487  0.654  0.168     80.804  4.93   0.0      2     94.689/    94.689
   2      0.971  0.691  0.947     78.170  5.14  38.0      2     95.960/    95.960
   3      0.471  0.540  0.946     72.658  4.68  10.5      2     93.185/    93.185

   SET #6 of 8 TRIAL #43 of 147 (TRIAL #21 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 286.88  23.04 169.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #44 of 147 (TRIAL #22 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  72.90  36.76 146.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.484  0.013  0.585     96.651  5.36
   2      0.984  0.513  0.585     96.651  5.36
   3      0.480  0.016  0.577     94.714  5.02
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #44 of 147 (TRIAL #22 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.984  0.513  0.585     85.317  5.36   0.0      4     96.651/    96.651
   2      0.838  0.958  0.241     80.229  4.84  19.7      2     93.703/    93.703

   SET #6 of 8 TRIAL #45 of 147 (TRIAL #23 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  56.35  20.61 156.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #46 of 147 (TRIAL #24 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 226.10  28.67 167.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.304  0.211  0.415     95.124  4.66
   2      0.804  0.711  0.415     95.124  4.66
   3      0.249  0.139  0.533     94.780  4.60
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #46 of 147 (TRIAL #24 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.531  0.332  0.081     77.189  4.46   0.0      2     93.945/    93.945
   2      0.023  0.276  0.089     75.288  4.42  40.9      4     93.740/    94.448
   3      0.576  0.799  0.199     74.842  4.46  12.5      2     93.979/    93.979
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #47 of 147 (TRIAL #25 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 248.33  29.35 162.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.520  0.632  0.363     98.562  5.33
   2      0.020  0.132  0.363     98.562  5.33
   3      0.491  0.318  0.974     96.275  4.96
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #47 of 147 (TRIAL #25 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.520  0.632  0.363     88.598  5.33   0.0      2     98.562/    98.562
   2      0.722  0.157  0.195     78.747  4.66  29.1      2     94.403/    94.403
   3      0.991  0.818  0.974     76.677  4.96  35.2      2     96.275/    96.275
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #48 of 147 (TRIAL #26 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 168.78  39.95 163.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.359  0.957  0.376     95.003  5.47
   2      0.859  0.457  0.376     95.003  5.47

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #48 of 147 (TRIAL #26 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.859  0.457  0.376     82.373  5.47   0.0      2     95.003/    95.003

   SET #6 of 8 TRIAL #49 of 147 (TRIAL #27 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  94.86  34.47 153.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.568  0.164  0.030     100.25  5.52
   2      0.068  0.664  0.030     100.25  5.52
   3      0.568  0.597  0.027      98.18  5.18
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #49 of 147 (TRIAL #27 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.906  0.513  0.470     78.433  4.47   0.0      2     93.877/    93.877
   2      0.568  0.164  0.030     77.455  5.52  26.4      2    100.255/   100.255
   3      0.520  0.150  0.917     76.047  4.71  31.0      2     95.346/    95.346
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #50 of 147 (TRIAL #28 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 168.90  35.29 142.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #51 of 147 (TRIAL #29 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 316.81  32.12 167.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.671  0.309  0.447     95.043  4.90
   2      0.171  0.809  0.447     95.043  4.90
   3      0.545  0.267  0.604     94.256  4.76
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #51 of 147 (TRIAL #29 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.545  0.267  0.604     81.061  4.76   0.0      2     94.256/    94.256
   2      0.671  0.309  0.447     74.484  4.90  18.0      2     95.043/    95.043
   3      0.522  0.918  0.880     74.288  4.66  20.8      2     93.660/    93.660
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #52 of 147 (TRIAL #30 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 219.01  39.25 165.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #53 of 147 (TRIAL #31 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 335.56  60.15 153.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #54 of 147 (TRIAL #32 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 322.82  28.56 160.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.583  0.817  0.334     95.534  4.90
   2      0.083  0.317  0.334     95.534  4.90
   3      0.575  0.750  0.998     95.338  4.87
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #54 of 147 (TRIAL #32 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.583  0.817  0.334     78.158  4.90   0.0      2     95.534/    95.534
   2      0.832  0.179  0.774     74.213  4.53  23.5      4     93.211/    93.211
   3      0.579  0.234  0.998     70.445  4.56  19.0      2     93.362/    93.362
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #55 of 147 (TRIAL #33 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 155.42  39.96 157.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #56 of 147 (TRIAL #34 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 232.62  37.51 171.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #57 of 147 (TRIAL #35 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 246.31  25.15 174.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.358  0.629  0.435     93.269  5.38
   2      0.858  0.129  0.435     93.269  5.38

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #57 of 147 (TRIAL #35 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.358  0.629  0.435     82.427  5.38   0.0      2     93.269/    93.269

   SET #6 of 8 TRIAL #58 of 147 (TRIAL #36 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 260.28  37.31 170.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #59 of 147 (TRIAL #37 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 163.57  39.98 158.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #60 of 147 (TRIAL #38 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  29.93  26.47 156.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #61 of 147 (TRIAL #39 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 331.02  25.47 151.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.659  0.608  0.513     94.780  5.03
   2      0.159  0.108  0.513     94.780  5.03
   3      0.566  0.713  0.787     93.131  4.76
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #61 of 147 (TRIAL #39 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.566  0.713  0.787     77.904  4.76   0.0      2     93.131/    93.131
   2      0.159  0.108  0.513     74.839  5.03  31.0      2     94.780/    94.780
   3      0.128  0.230  0.123     72.089  4.70  27.5      2     92.780/    92.780
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #62 of 147 (TRIAL #40 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  10.68  27.05 148.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #63 of 147 (TRIAL #41 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  74.02  36.08 212.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #64 of 147 (TRIAL #42 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 152.55  30.04 150.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.469  0.534  0.451     96.481  4.90
   2      0.969  0.034  0.451     96.481  4.90
   3      0.448  0.681  0.390     96.325  4.87
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #64 of 147 (TRIAL #42 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.469  0.534  0.451     80.421  4.90   0.0      4     96.481/    96.481
   2      0.691  0.205  0.616     74.993  4.74  14.7      2     95.535/    95.535
   3      0.547  0.250  0.610     74.545  4.52   7.5      2     94.183/    94.183
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #65 of 147 (TRIAL #43 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 221.27  34.97 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.501  0.372  0.732     92.139  4.99
   2      0.001  0.872  0.732     92.139  4.99

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #65 of 147 (TRIAL #43 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.001  0.872  0.732     67.871  4.99   0.0      2     92.139/    92.139

   SET #6 of 8 TRIAL #66 of 147 (TRIAL #44 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  55.85  49.43 194.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #67 of 147 (TRIAL #45 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 217.47  27.18 176.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #68 of 147 (TRIAL #46 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  60.80  26.59 129.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #69 of 147 (TRIAL #47 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 266.84  29.07 162.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.511  0.297  0.978     94.653  4.98
   2      0.011  0.797  0.978     94.653  4.98
   3      0.510  0.735  0.981     94.147  4.90
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #69 of 147 (TRIAL #47 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.045  0.109  0.376     81.128  4.66   0.0      2     92.693/    92.693
   2      0.513  0.736  0.984     73.566  4.73  35.8      4     93.116/    94.147
   3      0.013  0.803  0.982     73.483  4.73  20.9      4     93.131/    94.653

   SET #6 of 8 TRIAL #70 of 147 (TRIAL #48 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 248.54  40.68 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #71 of 147 (TRIAL #49 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  42.56  32.81 151.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.549  0.435  0.906     99.258  5.71
   2      0.049  0.935  0.906     99.258  5.71
   3      0.516  0.471  0.348     96.397  5.24
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #71 of 147 (TRIAL #49 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.049  0.258  0.405     76.729  5.01   0.0      2     95.039/    95.039
   2      0.577  0.032  0.795     76.573  4.92  35.3      2     94.523/    94.523
   3      0.549  0.435  0.906     74.510  5.71  35.5      2     99.258/    99.258
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #72 of 147 (TRIAL #50 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 188.54  36.06 151.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.491  0.109  0.503     93.123  5.20
   2      0.991  0.609  0.503     93.123  5.20
   3      0.489  0.685  0.502     92.392  5.08
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #72 of 147 (TRIAL #50 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.989  0.185  0.502     72.999  5.08   0.0      2     92.392/    92.392
   2      0.491  0.109  0.503     70.916  5.20  44.2      2     93.123/    93.123

   SET #6 of 8 TRIAL #73 of 147 (TRIAL #51 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 296.42  20.58 159.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #74 of 147 (TRIAL #52 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 204.20  35.14 161.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #75 of 147 (TRIAL #53 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 341.56  28.50 159.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.594  0.310  0.001     92.659  4.91
   2      0.094  0.810  0.001     92.659  4.91

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #75 of 147 (TRIAL #53 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.594  0.310  0.001     68.592  4.91   0.0      2     92.659/    92.659

   SET #6 of 8 TRIAL #76 of 147 (TRIAL #54 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 183.39  40.20 156.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.516  0.078  0.717     91.482  5.33
   2      0.016  0.578  0.717     91.482  5.33

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #76 of 147 (TRIAL #54 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.516  0.078  0.717     77.549  5.33   0.0      2     91.482/    91.482

   SET #6 of 8 TRIAL #77 of 147 (TRIAL #55 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  63.09  47.93 196.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #78 of 147 (TRIAL #56 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler   9.68  28.52 158.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.542  0.935  0.679     94.795  5.20
   2      0.042  0.435  0.679     94.795  5.20

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #78 of 147 (TRIAL #56 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.542  0.935  0.679     77.993  5.20   0.0      2     94.795/    94.795

   SET #6 of 8 TRIAL #79 of 147 (TRIAL #57 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  19.05  28.56 158.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.542  0.982  0.681     93.237  4.98
   2      0.042  0.482  0.681     93.237  4.98

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #79 of 147 (TRIAL #57 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.542  0.982  0.681     77.113  4.98   0.0      2     93.237/    93.237

   SET #6 of 8 TRIAL #80 of 147 (TRIAL #58 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 285.32  35.80 173.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #81 of 147 (TRIAL #59 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  82.17  32.08 212.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #82 of 147 (TRIAL #60 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 302.48  34.53 174.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #83 of 147 (TRIAL #61 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  34.98  58.45 174.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #84 of 147 (TRIAL #62 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  30.36  24.91 165.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.656  0.128  0.144     92.905  4.95
   2      0.156  0.628  0.144     92.905  4.95
   3      0.365  0.388  0.531     92.767  4.93
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #84 of 147 (TRIAL #62 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.365  0.388  0.531     74.269  4.93   0.0      2     92.767/    92.767
   2      0.656  0.128  0.144     72.490  4.95  22.8      2     92.905/    92.905

   SET #6 of 8 TRIAL #85 of 147 (TRIAL #63 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  79.26  28.94 129.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #86 of 147 (TRIAL #64 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  42.40  57.67 177.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #87 of 147 (TRIAL #65 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  37.13  39.30 209.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #88 of 147 (TRIAL #66 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  21.86  46.48 196.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #89 of 147 (TRIAL #67 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  10.94  21.02 165.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #90 of 147 (TRIAL #68 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 352.12  21.60 169.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #91 of 147 (TRIAL #69 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 174.84  35.22 168.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #92 of 147 (TRIAL #70 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  27.07  27.83 147.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.369  0.117  0.521     94.950  5.56
   2      0.869  0.617  0.521     94.950  5.56

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #92 of 147 (TRIAL #70 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.369  0.117  0.521     72.490  5.56   0.0      2     94.950/    94.950

   SET #6 of 8 TRIAL #93 of 147 (TRIAL #71 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 242.62  48.33 196.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #94 of 147 (TRIAL #72 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 108.16  30.03 138.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #95 of 147 (TRIAL #73 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 195.65  35.27 161.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #96 of 147 (TRIAL #74 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 170.79  30.76 150.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.506  0.117  0.058     97.398  5.46
   2      0.006  0.617  0.058     97.398  5.46
   3      0.458  0.145  0.948     94.856  5.04
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #96 of 147 (TRIAL #74 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.006  0.617  0.058     73.977  5.46   0.0      2     97.398/    97.398
   2      0.458  0.145  0.948     69.119  5.04  44.0      2     94.856/    94.856

   SET #6 of 8 TRIAL #97 of 147 (TRIAL #75 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 276.77  36.46 172.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #98 of 147 (TRIAL #76 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 224.30  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #99 of 147 (TRIAL #77 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 165.48  35.57 167.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.303  0.937  0.392     92.705  5.13
   2      0.803  0.437  0.392     92.705  5.13

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #99 of 147 (TRIAL #77 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.303  0.937  0.392     85.409  5.13   0.0      2     92.705/    92.705

   SET #6 of 8 TRIAL #100 of 147 (TRIAL #78 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 139.50  30.14 154.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.705  0.137  0.378     98.943  5.53
   2      0.205  0.637  0.378     98.943  5.53
   3      0.470  0.160  0.933     96.855  5.21
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #100 of 147 (TRIAL #78 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.966  0.004  0.437     80.621  5.10   0.0      4     96.176/    96.176
   2      0.705  0.137  0.378     75.148  5.53  22.2      2     98.943/    98.943
   3      0.705  0.959  0.878     71.604  4.91  27.2      2     94.934/    94.934
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #101 of 147 (TRIAL #79 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  12.48  21.81 155.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #102 of 147 (TRIAL #80 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  99.11  29.16 138.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #103 of 147 (TRIAL #81 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 192.58  30.30 164.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.497  0.927  0.072     94.486  5.12
   2      0.997  0.427  0.072     94.486  5.12
   3      0.235  0.386  0.287     93.293  4.93
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #103 of 147 (TRIAL #81 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.997  0.427  0.072     73.836  5.12   0.0      2     94.486/    94.486
   2      0.735  0.886  0.287     72.818  4.93  36.4      2     93.293/    93.293
   3      0.735  0.314  0.285     72.447  4.91  34.6      2     93.185/    93.185
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #104 of 147 (TRIAL #82 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 147.24  28.40 136.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #105 of 147 (TRIAL #83 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 207.91  27.89 176.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #106 of 147 (TRIAL #84 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 224.30  30.75 179.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #107 of 147 (TRIAL #85 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  31.28  27.01 139.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #108 of 147 (TRIAL #86 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 176.11  30.88 154.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.501  0.046  0.058     92.019  4.77
   2      0.001  0.546  0.058     92.019  4.77

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #108 of 147 (TRIAL #86 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.501  0.046  0.058     70.274  4.77   0.0      2     92.019/    92.019

   SET #6 of 8 TRIAL #109 of 147 (TRIAL #87 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 214.42  56.77 173.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #110 of 147 (TRIAL #88 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 233.34  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #111 of 147 (TRIAL #89 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 194.79  32.13 146.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.551  0.080  0.410     92.412  4.85
   2      0.051  0.580  0.410     92.412  4.85

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #111 of 147 (TRIAL #89 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.051  0.580  0.410     74.445  4.85   0.0      2     92.412/    92.412

   SET #6 of 8 TRIAL #112 of 147 (TRIAL #90 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 197.56  45.32 156.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #113 of 147 (TRIAL #91 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  93.41  30.41 100.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #114 of 147 (TRIAL #92 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 209.83  31.58 154.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #115 of 147 (TRIAL #93 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 130.31  29.98 154.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.479  0.167  0.932     97.420  5.42
   2      0.979  0.667  0.932     97.420  5.42
   3      0.715  0.159  0.378     96.447  5.27
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #115 of 147 (TRIAL #93 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.479  0.167  0.932     70.965  5.42   0.0      2     97.420/    97.420
   2      0.715  0.159  0.378     69.551  5.27  15.9      2     96.447/    96.447
   3      0.715  0.970  0.877     69.538  4.94  24.6      2     94.320/    94.320
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #116 of 147 (TRIAL #94 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 287.34  43.00 110.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #117 of 147 (TRIAL #95 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 128.76  26.60 136.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #118 of 147 (TRIAL #96 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 131.62  36.65 164.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #119 of 147 (TRIAL #97 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  84.45  21.19 136.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #120 of 147 (TRIAL #98 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 206.18  36.98 179.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #121 of 147 (TRIAL #99 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 210.85  39.45 164.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #122 of 147 (TRIAL #100 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 156.67  29.32 136.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #123 of 147 (TRIAL #101 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  47.30  26.90 133.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #124 of 147 (TRIAL #102 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 264.73  40.37 165.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #125 of 147 (TRIAL #103 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 206.23  45.28 158.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #126 of 147 (TRIAL #104 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  84.53  31.13 133.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #127 of 147 (TRIAL #105 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 111.97  29.65 155.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.547  0.217  0.044     94.623  5.04
   2      0.047  0.717  0.044     94.623  5.04
   3      0.528  0.668  0.486     93.957  4.93
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #127 of 147 (TRIAL #105 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.528  0.668  0.486     73.082  4.93   0.0      2     93.957/    93.957
   2      0.547  0.217  0.044     71.246  5.04  31.1      2     94.623/    94.623
   3      0.527  0.272  0.486     68.976  4.64   9.4      2     92.111/    92.111
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #128 of 147 (TRIAL #106 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 251.76  23.30 178.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #129 of 147 (TRIAL #107 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  88.60  14.55 113.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #130 of 147 (TRIAL #108 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  72.46  11.73 223.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #131 of 147 (TRIAL #109 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 207.45  29.35 167.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #132 of 147 (TRIAL #110 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 306.52  14.35  74.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #133 of 147 (TRIAL #111 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 285.39  20.58 161.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #134 of 147 (TRIAL #112 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 300.35  24.44  96.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #135 of 147 (TRIAL #113 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 353.58  30.67 168.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.489  0.531  0.775     97.774  5.81
   2      0.989  0.031  0.775     97.774  5.81
   3      0.490  0.114  0.775     95.438  5.41
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #135 of 147 (TRIAL #113 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.859  0.430  0.789     78.583  4.94   0.0      2     92.708/    92.708
   2      0.989  0.031  0.775     77.934  5.81  15.7      4     97.774/    97.774
   3      0.990  0.614  0.775     73.254  5.41  13.3      2     95.438/    95.438
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #136 of 147 (TRIAL #114 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  38.86  16.40 156.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #137 of 147 (TRIAL #115 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 194.30  50.74 192.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #138 of 147 (TRIAL #116 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 304.70  28.04 181.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #139 of 147 (TRIAL #117 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 239.75  32.04 139.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 40 sites over 67.5% of top
   40 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.518  0.408  0.642     102.33  5.71
   2      0.018  0.908  0.642     102.33  5.71
   3      0.530  0.971  0.189      98.60  5.12
   #Sites = 40: output truncated to 3 sites

   Top 40 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #139 of 147 (TRIAL #117 of 125 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.018  0.908  0.642     69.150  5.71   0.0      6     102.33/    102.33
   2      0.643  0.721  0.921     68.258  4.34  35.6      2      93.80/     93.80
   3      0.536  0.427  0.421     66.674  4.35  38.7      2      93.86/     93.86
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #140 of 147 (TRIAL #118 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 177.08  30.63 164.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #141 of 147 (TRIAL #119 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler   9.26  30.05 168.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.806  0.431  0.683     92.605  4.90
   2      0.306  0.931  0.683     92.605  4.90
   3      0.762  0.040  0.574     92.407  4.87
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #141 of 147 (TRIAL #119 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.762  0.040  0.574     78.584  4.87   0.0      2     92.407/    92.407
   2      0.306  0.931  0.683     77.425  4.90  13.4      2     92.605/    92.605

   SET #6 of 8 TRIAL #142 of 147 (TRIAL #120 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 287.72  13.53  93.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #143 of 147 (TRIAL #121 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 197.28  40.31 158.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #144 of 147 (TRIAL #122 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 140.08  44.06 153.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #145 of 147 (TRIAL #123 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 209.76  41.76 152.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #146 of 147 (TRIAL #124 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 101.41   5.37 211.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #147 of 147 (TRIAL #125 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 206.86  32.43 178.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

---------------------------------
DEEP TRANSLATION FUNCTION #7 OF 8
---------------------------------

   122 trial orientations in deep search

   SOLU SET  RFZ=4.6 TFZ=3.2 PAK=0 LLG=57
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  122.2   28.7  181.6 FRAC -0.43  0.49 -0.50 BFAC -9.06
   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   87.1 RFZ  4.25

   SOLU TRIAL ENSEMBLE helix_pdb EULER   51.869   24.857  151.761 RF   85.9 RFZ  4.12

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   85.8 RFZ  4.11

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   85.3 RFZ  4.06

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.424   24.033  161.846 RF   84.9 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.535   25.925  148.923 RF   84.6 RFZ  3.97

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   84.1 RFZ  3.92

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   84.0 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   83.9 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   83.9 RFZ  3.90

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.201   26.601  163.128 RF   83.9 RFZ  3.90

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   83.6 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   83.6 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   83.6 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   83.2 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   82.6 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   82.4 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   82.4 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   82.4 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   82.3 RFZ  3.73

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   82.0 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   81.9 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   81.9 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   81.8 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   81.8 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   81.8 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   81.6 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   81.6 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   81.5 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   81.5 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   81.5 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   81.3 RFZ  3.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   81.2 RFZ  3.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   81.2 RFZ  3.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   81.2 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   81.1 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   81.1 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   81.1 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   80.9 RFZ  3.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   80.8 RFZ  3.57 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   80.7 RFZ  3.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   80.6 RFZ  3.55 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   80.4 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   80.4 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   80.3 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   80.3 RFZ  3.51 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   80.3 RFZ  3.51 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   80.2 RFZ  3.50 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   80.1 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   80.0 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   80.0 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   29.925   26.470  156.022 RF   79.8 RFZ  3.45 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   79.7 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   79.6 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   79.5 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   79.5 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   79.4 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   79.4 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   79.2 RFZ  3.40 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   79.2 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   79.1 RFZ  3.38 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   79.1 RFZ  3.38 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   79.1 RFZ  3.38 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   79.0 RFZ  3.37 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   79.0 RFZ  3.37 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.203   35.142  161.594 RF   79.0 RFZ  3.37 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   78.8 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.388   40.196  156.612 RF   78.5 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  108.160   30.031  138.942 RF   78.5 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.844   29.075  162.258 RF   78.4 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   78.3 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   78.3 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   78.2 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   78.2 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.105   29.162  138.969 RF   78.1 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.649   35.266  161.001 RF   78.1 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   12.483   21.810  155.358 RF   77.9 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.453   21.186  136.283 RF   77.9 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.561   28.504  159.572 RF   77.8 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   74.017   36.083  212.756 RF   77.8 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.047   28.565  158.082 RF   77.6 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.262   28.939  129.773 RF   77.5 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   77.5 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   77.5 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.619   48.334  196.267 RF   77.5 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.853   49.425  194.168 RF   77.3 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   77.3 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.166   59.074  160.520 RF   77.3 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   77.3 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.791   30.761  150.363 RF   77.2 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  139.502   30.142  154.811 RF   77.2 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.683   28.520  158.446 RF   77.2 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.306   29.978  154.977 RF   77.2 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   77.1 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   93.410   30.408  100.003 RF   77.1 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.398   57.665  177.443 RF   77.1 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   77.1 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   77.0 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.227   45.283  158.453 RF   76.8 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.560   45.317  156.800 RF   76.8 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  210.850   39.450  164.662 RF   76.8 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.278   40.307  158.593 RF   76.7 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   76.7 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.526   31.131  133.953 RF   76.6 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.078   44.065  153.168 RF   76.5 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.771   36.460  172.722 RF   76.5 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   76.4 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.302   50.743  192.838 RF   76.4 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.581   30.297  164.048 RF   76.4 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   76.4 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   88.596   14.547  113.772 RF   76.1 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   82.174   32.079  212.797 RF   76.1 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   76.0 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   38.861   16.401  156.062 RF   76.0 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.182   36.981  179.693 RF   76.0 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.724   13.530   93.504 RF   76.0 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.296   30.768  159.195 RF   75.9 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  353.579   30.665  168.047 RF   75.9 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  214.423   56.768  173.963 RF   75.8 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   25.214   19.891  151.386 RF   75.8 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.279   27.013  139.028 RF   75.8 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.732   40.369  165.315 RF   75.7 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.275   54.297  181.356 RF   75.7 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   75.7 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  147.239   28.399  136.646 RF   75.6 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.463   11.731  223.636 RF   75.6 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  270.077   26.844  178.929 RF   75.6 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  177.081   30.634  164.104 RF   75.6 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.791   32.132  146.853 RF   75.5 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.749   32.036  139.851 RF   75.5 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.110   30.878  154.447 RF   75.4 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  218.966   34.600  185.712 RF   75.4 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.974   29.645  155.250 RF   75.4 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.303   26.896  133.601 RF   75.4 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  120.330   37.137  144.780 RF   75.4 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  233.342   30.768  159.195 RF   75.4 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.257   30.048  168.017 RF   75.3 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.705   28.038  181.965 RF   75.3 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.387   20.578  161.440 RF   75.2 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.224   25.260  140.714 RF   75.2 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.820   38.127  146.797 RF   75.2 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  131.617   36.655  164.234 RF   75.2 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.392   19.880  167.093 RF   75.2 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.765   26.601  136.983 RF   75.1 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.760   41.761  152.978 RF   75.1 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.862   32.433  178.320 RF   75.1 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.828   31.579  154.758 RF   75.0 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.299   19.821  136.813 RF   75.0 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  186.873   43.841  170.156 RF   75.0 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.049   35.847  175.245 RF   74.9 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  306.520   14.352   74.543 RF   74.9 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  263.507   21.063  136.319 RF   74.9 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.350   24.444   96.617 RF   74.9 RFZ  2.93 # DEEP

   Scoring 612 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #7 of 8
   0%      100%
   |========| DONE

   Mean Score (Sigma):       32.64   (10.48)

   SET #7 of 8 TRIAL #32 of 153 (TRIAL #1 of 122 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 231.17  27.28 171.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.741  0.189  0.976     95.775  4.82
   2      0.241  0.689  0.976     95.775  4.82

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #32 of 153 (TRIAL #1 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.241  0.689  0.976     77.336  4.82   0.0      2     95.775/    95.775

   SET #7 of 8 TRIAL #33 of 153 (TRIAL #2 of 122 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 286.88  23.04 169.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #34 of 153 (TRIAL #3 of 122 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler  66.88  34.65 143.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.735  0.992  0.581     94.046  4.76
   2      0.235  0.492  0.581     94.046  4.76

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #34 of 153 (TRIAL #3 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.735  0.992  0.581     79.345  4.76   0.0      2     94.046/    94.046

   SET #7 of 8 TRIAL #35 of 153 (TRIAL #4 of 122 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 179.38  35.69 151.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.347  0.631  0.382     94.824  4.82
   2      0.847  0.131  0.382     94.824  4.82
   3      0.352  0.633  0.391     94.603  4.78
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #35 of 153 (TRIAL #4 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.831  0.117  0.931     83.730  4.59   0.0      2     93.453/    93.453
   2      0.347  0.631  0.382     83.458  4.82  19.4      4     94.824/    94.824
   3      0.851  0.931  0.894     83.111  4.58   5.8      2     93.403/    93.403
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #36 of 153 (TRIAL #5 of 122 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler  86.17  34.18 153.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 34 sites over 67.5% of top
   34 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.734  0.574  0.803     104.00  5.70
   2      0.234  0.074  0.803     104.00  5.70
   3      0.727  0.577  0.794     102.92  5.53
   #Sites = 34: output truncated to 3 sites

   Top 34 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #36 of 153 (TRIAL #5 of 122 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.734  0.574  0.803     85.571  5.70   0.0      8     104.00/    104.00
   2      0.462  0.171  0.821     81.009  4.58  27.6      2      97.10/     97.10
   3      0.662  0.069  0.924     80.830  4.87  17.5      2      98.85/     98.85
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #37 of 153 (TRIAL #6 of 122 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 276.54  23.49 171.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #38 of 153 (TRIAL #7 of 122 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 136.29  40.23 158.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.620  0.028  0.477     95.523  5.17
   2      0.120  0.528  0.477     95.523  5.17
   3      0.705  0.503  0.810     93.286  4.79
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #38 of 153 (TRIAL #7 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.620  0.028  0.477     85.654  5.17   0.0      2     95.523/    95.523

   SET #7 of 8 TRIAL #39 of 153 (TRIAL #8 of 122 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 350.92  26.21 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.839  0.364  0.460     94.800  4.84
   2      0.339  0.864  0.460     94.800  4.84

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #39 of 153 (TRIAL #8 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.839  0.364  0.460     71.283  4.84   0.0      2     94.800/    94.800

   SET #7 of 8 TRIAL #40 of 153 (TRIAL #9 of 122 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 170.10  30.70 141.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.708  0.740  0.399     94.287  4.60
   2      0.208  0.240  0.399     94.287  4.60

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #40 of 153 (TRIAL #9 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.708  0.740  0.399     79.534  4.60   0.0      2     94.287/    94.287

   SET #7 of 8 TRIAL #41 of 153 (TRIAL #10 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 226.10  28.67 167.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.604  0.754  0.523     98.424  5.09
   2      0.104  0.254  0.523     98.424  5.09
   3      0.231  0.727  0.971     97.336  4.91
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #41 of 153 (TRIAL #10 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.104  0.254  0.523     83.892  5.09   0.0      2     98.424/    98.424
   2      0.239  0.722  0.977     76.771  4.85  25.5      6     96.997/    97.336
   3      0.809  0.274  0.651     76.243  4.37  17.3      4     94.085/    95.338
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #42 of 153 (TRIAL #11 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 168.78  39.95 163.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.647  0.436  0.708     92.776  4.93
   2      0.147  0.936  0.708     92.776  4.93

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #42 of 153 (TRIAL #11 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.647  0.436  0.708     74.959  4.93   0.0      2     92.776/    92.776

   SET #7 of 8 TRIAL #43 of 153 (TRIAL #12 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 160.97  29.98 141.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.281  0.827  0.068     96.576  5.08
   2      0.781  0.327  0.068     96.576  5.08
   3      0.742  0.159  0.689     93.839  4.60
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #43 of 153 (TRIAL #12 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.242  0.659  0.689     87.445  4.60   0.0      2     93.839/    93.839
   2      0.281  0.827  0.068     76.988  5.08  22.3      2     96.576/    96.576

   SET #7 of 8 TRIAL #44 of 153 (TRIAL #13 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  72.90  36.76 146.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.658  0.966  0.360     97.050  5.34
   2      0.158  0.466  0.360     97.050  5.34

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #44 of 153 (TRIAL #13 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.158  0.466  0.360     80.262  5.34   0.0      2     97.050/    97.050

   SET #7 of 8 TRIAL #45 of 153 (TRIAL #14 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 133.57  27.81 141.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.611  0.710  0.503     92.975  4.81
   2      0.111  0.210  0.503     92.975  4.81

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #45 of 153 (TRIAL #14 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.611  0.710  0.503     80.782  4.81   0.0      2     92.975/    92.975

   SET #7 of 8 TRIAL #46 of 153 (TRIAL #15 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  56.35  20.61 156.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.395  0.280  0.607     94.344  5.07
   2      0.895  0.780  0.607     94.344  5.07
   3      0.370  0.447  0.548     94.022  5.02
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #46 of 153 (TRIAL #15 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.870  0.947  0.548     80.856  5.02   0.0      2     94.022/    94.022
   2      0.986  0.766  0.026     78.301  4.92  25.2      2     93.439/    93.439
   3      0.395  0.280  0.607     75.633  5.07  21.2      4     94.344/    94.344

   SET #7 of 8 TRIAL #47 of 153 (TRIAL #16 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 351.88  21.68 148.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #48 of 153 (TRIAL #17 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 155.42  39.96 157.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.543  0.032  0.262     92.225  5.09
   2      0.043  0.532  0.262     92.225  5.09

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #48 of 153 (TRIAL #17 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.043  0.532  0.262     82.836  5.09   0.0      2     92.225/    92.225

   SET #7 of 8 TRIAL #49 of 153 (TRIAL #18 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 219.01  39.25 165.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #50 of 153 (TRIAL #19 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 232.62  37.51 171.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #51 of 153 (TRIAL #20 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 248.33  29.35 162.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 26 sites over 67.5% of top
   26 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.516  0.953  0.031     95.740  4.83
   2      0.016  0.453  0.031     95.740  4.83
   3      0.526  0.719  0.307     94.924  4.70
   #Sites = 26: output truncated to 3 sites

   Top 26 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #51 of 153 (TRIAL #20 of 122 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.902  0.637  0.580     80.308  4.68   0.0      2     94.842/    94.842
   2      0.522  0.719  0.305     75.315  4.48  27.3      6     93.545/    94.924
   3      0.973  0.672  0.195     75.159  4.55  29.2      2     93.980/    93.980
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #52 of 153 (TRIAL #21 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  29.93  26.47 156.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.819  0.515  0.912     94.056  5.04
   2      0.319  0.015  0.912     94.056  5.04
   3      0.389  0.013  0.587     93.949  5.02
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #52 of 153 (TRIAL #21 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.318  0.611  0.916     76.188  4.86   0.0      2     92.961/    92.961
   2      0.389  0.013  0.587     75.979  5.02  27.4      2     93.949/    93.949
   3      0.870  0.102  0.031     73.157  4.80  23.0      4     92.597/    92.792
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #53 of 153 (TRIAL #22 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 163.57  39.98 158.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #54 of 153 (TRIAL #23 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  94.86  34.47 153.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 24 sites over 67.5% of top
   24 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.726  0.588  0.804     103.69  5.97
   2      0.226  0.088  0.804     103.69  5.97
   3      0.774  0.611  0.914      99.87  5.35
   #Sites = 24: output truncated to 3 sites

   Top 24 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #54 of 153 (TRIAL #23 of 122 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.728  0.587  0.806     85.358  4.86   0.0      6     96.880/   103.692
   2      0.711  0.999  0.636     78.041  4.44  13.9      2     94.270/    94.270
   3      0.278  0.110  0.919     75.940  4.76  44.8      2     96.294/    96.294
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #55 of 153 (TRIAL #24 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  10.68  27.05 148.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.365  0.411  0.018     95.771  5.14
   2      0.865  0.911  0.018     95.771  5.14
   3      0.843  0.365  0.462     95.038  5.02
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #55 of 153 (TRIAL #24 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.647  0.793  0.348     82.143  4.77   0.0      2     93.542/    93.542
   2      0.201  0.306  0.919     80.982  4.72  30.4      2     93.248/    93.248
   3      0.865  0.911  0.018     79.205  5.14  33.4      2     95.771/    95.771
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #56 of 153 (TRIAL #25 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 316.81  32.12 167.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.494  0.326  0.096     95.928  4.93
   2      0.994  0.826  0.096     95.928  4.93
   3      0.503  0.315  0.102     93.894  4.59
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #56 of 153 (TRIAL #25 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.994  0.826  0.096     80.242  4.93   0.0      4     95.928/    95.928

   SET #7 of 8 TRIAL #57 of 153 (TRIAL #26 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 335.56  60.15 153.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #58 of 153 (TRIAL #27 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 221.27  34.97 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.730  0.952  0.958     95.842  5.42
   2      0.230  0.452  0.958     95.842  5.42
   3      0.731  0.359  0.957     93.995  5.12
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #58 of 153 (TRIAL #27 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.730  0.952  0.958     77.792  5.42   0.0      2     95.842/    95.842
   2      0.284  0.130  0.576     75.519  4.87  31.9      2     92.467/    92.467
   3      0.731  0.359  0.957     68.065  5.12   9.7      2     93.995/    93.995

   SET #7 of 8 TRIAL #59 of 153 (TRIAL #28 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 188.54  36.06 151.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.721  0.595  0.948     92.234  4.92
   2      0.221  0.095  0.948     92.234  4.92

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #59 of 153 (TRIAL #28 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.721  0.595  0.948     68.232  4.92   0.0      2     92.234/    92.234

   SET #7 of 8 TRIAL #60 of 153 (TRIAL #29 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 168.90  35.29 142.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #61 of 153 (TRIAL #30 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 152.55  30.04 150.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 28 sites over 67.5% of top
   28 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.707  0.685  0.391     98.843  5.17
   2      0.207  0.185  0.391     98.843  5.17
   3      0.700  0.686  0.383     98.097  5.05
   #Sites = 28: output truncated to 3 sites

   Top 28 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #61 of 153 (TRIAL #30 of 122 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.884  0.179  0.043     78.592  4.73   0.0      2     96.121/    96.121
   2      0.707  0.685  0.391     77.303  5.17  35.3      4     98.843/    98.843
   3      0.496  0.119  0.499     72.626  4.64  29.3      4     95.567/    95.567
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #62 of 153 (TRIAL #31 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 322.82  28.56 160.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.338  0.746  0.006     95.722  4.86
   2      0.838  0.246  0.006     95.722  4.86
   3      0.332  0.749  0.999     95.645  4.85
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #62 of 153 (TRIAL #31 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.083  0.728  0.331     77.740  4.57   0.0      2     93.875/    93.875
   2      0.760  0.283  0.332     73.645  4.57  19.5      4     93.889/    93.889
   3      0.784  0.844  0.887     73.476  4.55  23.7      2     93.760/    93.760
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #63 of 153 (TRIAL #32 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 331.02  25.47 151.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.338  0.690  0.009     98.459  5.54
   2      0.838  0.190  0.009     98.459  5.54
   3      0.344  0.691  0.017     96.492  5.22
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #63 of 153 (TRIAL #32 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.338  0.690  0.009     80.844  5.54   0.0      4     98.459/    98.459
   2      0.212  0.210  0.565     80.114  4.67  25.3      2     93.174/    93.174
   3      0.836  0.778  0.009     73.680  4.70  15.4      2     93.362/    93.362

   SET #7 of 8 TRIAL #64 of 153 (TRIAL #33 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  27.07  27.83 147.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.368  0.483  0.020     99.170  6.00
   2      0.868  0.983  0.020     99.170  6.00
   3      0.368  0.908  0.021     98.516  5.89
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #64 of 153 (TRIAL #33 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.868  0.983  0.020     81.748  6.00   0.0      2     99.170/    99.170
   2      0.868  0.852  0.021     75.442  5.31   3.1      2     94.988/    94.988
   3      0.868  0.408  0.021     74.948  5.89  10.1      2     98.516/    98.516
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #65 of 153 (TRIAL #34 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 260.28  37.31 170.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #66 of 153 (TRIAL #35 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 204.20  35.14 161.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.445  0.373  0.170     93.365  5.11
   2      0.945  0.873  0.170     93.365  5.11
   3      0.722  1.000  0.954     93.176  5.08
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #66 of 153 (TRIAL #35 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.445  0.373  0.170     81.551  5.11   0.0      2     93.365/    93.365
   2      0.040  0.355  0.845     79.141  5.03  28.8      2     92.857/    92.857
   3      0.722  1.000  0.954     74.541  5.08  14.9      2     93.176/    93.176

   SET #7 of 8 TRIAL #67 of 153 (TRIAL #36 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 246.31  25.15 174.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.698  0.650  0.657     94.167  5.46
   2      0.198  0.150  0.657     94.167  5.46

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #67 of 153 (TRIAL #36 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.698  0.650  0.657     85.798  5.46   0.0      2     94.167/    94.167

   SET #7 of 8 TRIAL #68 of 153 (TRIAL #37 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 183.39  40.20 156.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #69 of 153 (TRIAL #38 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 108.16  30.03 138.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #70 of 153 (TRIAL #39 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 266.84  29.07 162.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.726  0.803  0.873     95.102  4.96
   2      0.226  0.303  0.873     95.102  4.96
   3      0.720  0.804  0.866     94.520  4.86
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #70 of 153 (TRIAL #39 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.226  0.303  0.873     80.273  4.96   0.0      4     95.102/    95.102
   2      0.272  0.288  0.985     71.979  4.62   5.4      2     93.003/    93.003
   3      0.806  0.798  0.092     71.222  4.58  12.7      2     92.748/    92.748
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #71 of 153 (TRIAL #40 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 217.47  27.18 176.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #72 of 153 (TRIAL #41 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  60.80  26.59 129.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #73 of 153 (TRIAL #42 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  42.56  32.81 151.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.800  0.440  0.901     96.586  5.22
   2      0.300  0.940  0.901     96.586  5.22
   3      0.806  0.437  0.907     95.986  5.12
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #73 of 153 (TRIAL #42 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.858  0.026  0.795     77.483  4.72   0.0      2     93.545/    93.545
   2      0.806  0.437  0.907     77.407  5.12  14.7      6     95.986/    96.586

   SET #7 of 8 TRIAL #74 of 153 (TRIAL #43 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  30.36  24.91 165.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #75 of 153 (TRIAL #44 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  99.11  29.16 138.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #76 of 153 (TRIAL #45 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 195.65  35.27 161.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.434  0.405  0.168     92.104  5.02
   2      0.934  0.905  0.168     92.104  5.02
   3      0.246  0.947  0.507     92.010  5.00
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #76 of 153 (TRIAL #45 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.434  0.405  0.168     85.324  5.02   0.0      2     92.104/    92.104

   SET #7 of 8 TRIAL #77 of 153 (TRIAL #46 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  12.48  21.81 155.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #78 of 153 (TRIAL #47 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  84.45  21.19 136.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #79 of 153 (TRIAL #48 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 341.56  28.50 159.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #80 of 153 (TRIAL #49 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  74.02  36.08 212.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #81 of 153 (TRIAL #50 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  19.05  28.56 158.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.806  0.470  0.902     95.581  5.29
   2      0.306  0.970  0.902     95.581  5.29
   3      0.371  0.966  0.576     94.357  5.10
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #81 of 153 (TRIAL #50 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.871  0.466  0.576     76.850  5.10   0.0      2     94.357/    94.357
   2      0.893  0.887  0.964     73.909  4.93  25.5      2     93.300/    93.300
   3      0.804  0.062  0.904     71.034  4.84  27.1      2     92.733/    92.733
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #82 of 153 (TRIAL #51 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  79.26  28.94 129.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #83 of 153 (TRIAL #52 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  34.98  58.45 174.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #84 of 153 (TRIAL #53 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 296.42  20.58 159.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #85 of 153 (TRIAL #54 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 242.62  48.33 196.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #86 of 153 (TRIAL #55 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  55.85  49.43 194.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #87 of 153 (TRIAL #56 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 352.12  21.60 169.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #88 of 153 (TRIAL #57 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 204.17  59.07 160.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #89 of 153 (TRIAL #58 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 174.84  35.22 168.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #90 of 153 (TRIAL #59 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 170.79  30.76 150.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.261  0.127  0.063     96.776  5.29
   2      0.761  0.627  0.063     96.776  5.29
   3      0.691  0.619  0.391     95.562  5.09
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #90 of 153 (TRIAL #59 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.691  0.619  0.391     76.995  5.09   0.0      2     95.562/    95.562
   2      0.758  0.208  0.066     73.096  4.95  26.9      2     94.673/    94.673
   3      0.761  0.627  0.063     70.785  5.29  25.4      2     96.776/    96.776

   SET #7 of 8 TRIAL #91 of 153 (TRIAL #60 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 139.50  30.14 154.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 32 sites over 67.5% of top
   32 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.705  0.666  0.379     101.91  5.85
   2      0.205  0.166  0.379     101.91  5.85
   3      0.735  0.658  0.943     100.06  5.57
   #Sites = 32: output truncated to 3 sites

   Top 32 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #91 of 153 (TRIAL #60 of 122 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.211  0.166  0.388     77.876  5.41   0.0      4     99.017/   101.908
   2      0.735  0.658  0.943     76.878  5.57  27.2      4    100.060/   100.060
   3      0.768  0.249  0.056     73.206  4.73  29.5      4     94.625/    94.625
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #92 of 153 (TRIAL #61 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler   9.68  28.52 158.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #93 of 153 (TRIAL #62 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 130.31  29.98 154.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 36 sites over 67.5% of top
   36 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.715  0.687  0.378     102.07  5.97
   2      0.215  0.187  0.378     102.07  5.97
   3      0.738  0.676  0.935      98.40  5.41
   #Sites = 36: output truncated to 3 sites

   Top 36 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #93 of 153 (TRIAL #62 of 122 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.715  0.687  0.378     77.090  5.97   0.0      4     102.07/    102.07
   2      0.743  0.673  0.943     76.797  5.33  29.4      4      97.87/     98.40
   3      0.222  0.469  0.886     73.854  4.69  21.7      4      93.71/     96.45
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #94 of 153 (TRIAL #63 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  10.94  21.02 165.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #95 of 153 (TRIAL #64 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  93.41  30.41 100.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #96 of 153 (TRIAL #65 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  42.40  57.67 177.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #97 of 153 (TRIAL #66 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 285.32  35.80 173.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #98 of 153 (TRIAL #67 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 302.48  34.53 174.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #99 of 153 (TRIAL #68 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 206.23  45.28 158.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #100 of 153 (TRIAL #69 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 197.56  45.32 156.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #101 of 153 (TRIAL #70 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 210.85  39.45 164.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #102 of 153 (TRIAL #71 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 197.28  40.31 158.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #103 of 153 (TRIAL #72 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 248.54  40.68 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #104 of 153 (TRIAL #73 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  84.53  31.13 133.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.628  0.209  0.996     93.963  5.90
   2      0.128  0.709  0.996     93.963  5.90

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #104 of 153 (TRIAL #73 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.128  0.709  0.996     80.928  5.90   0.0      2     93.963/    93.963

   SET #7 of 8 TRIAL #105 of 153 (TRIAL #74 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 140.08  44.06 153.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #106 of 153 (TRIAL #75 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 276.77  36.46 172.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #107 of 153 (TRIAL #76 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 207.91  27.89 176.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #108 of 153 (TRIAL #77 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 194.30  50.74 192.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #109 of 153 (TRIAL #78 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 192.58  30.30 164.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.537  0.887  0.400     98.047  5.66
   2      0.037  0.387  0.400     98.047  5.66
   3      0.450  0.304  0.957     93.967  5.02
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #109 of 153 (TRIAL #78 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.537  0.887  0.400     81.138  5.66   0.0      2     98.047/    98.047
   2      0.450  0.304  0.957     71.207  5.02  25.5      2     93.967/    93.967
   3      0.986  0.307  0.287     70.711  4.89  40.2      2     93.173/    93.173

   SET #7 of 8 TRIAL #110 of 153 (TRIAL #79 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 165.48  35.57 167.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.649  0.425  0.267     92.201  5.05
   2      0.149  0.925  0.267     92.201  5.05

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #110 of 153 (TRIAL #79 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.149  0.925  0.267     74.076  5.05   0.0      2     92.201/    92.201

   SET #7 of 8 TRIAL #111 of 153 (TRIAL #80 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  88.60  14.55 113.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #112 of 153 (TRIAL #81 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  82.17  32.08 212.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #113 of 153 (TRIAL #82 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 224.30  30.75 179.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #114 of 153 (TRIAL #83 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  38.86  16.40 156.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #115 of 153 (TRIAL #84 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 206.18  36.98 179.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #116 of 153 (TRIAL #85 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 287.72  13.53  93.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #117 of 153 (TRIAL #86 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 224.30  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.218  0.826  0.965     93.652  5.05
   2      0.718  0.326  0.965     93.652  5.05
   3      0.525  0.285  0.851     92.481  4.88
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #117 of 153 (TRIAL #86 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.902  0.807  0.630     72.439  4.77   0.0      2     91.787/    91.787
   2      0.025  0.785  0.851     69.959  4.88  11.0      2     92.481/    92.481
   3      0.195  0.848  0.408     68.473  4.75   7.7      2     91.615/    91.615
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #118 of 153 (TRIAL #87 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 353.58  30.67 168.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.488  0.200  0.277     94.003  5.06
   2      0.988  0.700  0.277     94.003  5.06
   3      0.357  0.001  0.563     92.679  4.84
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #118 of 153 (TRIAL #87 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.988  0.700  0.277     69.339  5.06   0.0      2     94.003/    94.003
   2      0.357  0.001  0.563     68.578  4.84  27.2      2     92.679/    92.679

   SET #7 of 8 TRIAL #119 of 153 (TRIAL #88 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 214.42  56.77 173.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #120 of 153 (TRIAL #89 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  25.21  19.89 151.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #121 of 153 (TRIAL #90 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  31.28  27.01 139.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #122 of 153 (TRIAL #91 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 264.73  40.37 165.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #123 of 153 (TRIAL #92 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 227.28  54.30 181.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #124 of 153 (TRIAL #93 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 207.45  29.35 167.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.218  0.790  0.965     92.880  5.17
   2      0.718  0.290  0.965     92.880  5.17

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #124 of 153 (TRIAL #93 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.218  0.790  0.965     68.541  5.17   0.0      2     92.880/    92.880

   SET #7 of 8 TRIAL #125 of 153 (TRIAL #94 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 147.24  28.40 136.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #126 of 153 (TRIAL #95 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  72.46  11.73 223.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #127 of 153 (TRIAL #96 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 270.08  26.84 178.93 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #128 of 153 (TRIAL #97 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 177.08  30.63 164.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.536  0.955  0.396     95.516  5.31
   2      0.036  0.455  0.396     95.516  5.31
   3      0.678  0.378  0.387     93.194  4.94
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #128 of 153 (TRIAL #97 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.036  0.455  0.396     80.878  5.31   0.0      2     95.516/    95.516
   2      0.871  0.369  0.277     72.456  4.84  12.0      2     92.559/    92.559
   3      0.232  0.979  0.509     70.586  4.78  18.5      2     92.142/    92.142
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #129 of 153 (TRIAL #98 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 194.79  32.13 146.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #130 of 153 (TRIAL #99 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 239.75  32.04 139.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 24 sites over 67.5% of top
   24 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.518  0.381  0.640     97.873  4.97
   2      0.018  0.881  0.640     97.873  4.97
   3      0.518  0.929  0.640     97.693  4.94
   #Sites = 24: output truncated to 3 sites

   Top 24 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #130 of 153 (TRIAL #99 of 122 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.774  0.407  0.644     65.894  4.66   0.0      4     95.978/    95.978
   2      0.785  0.926  0.419     65.864  4.61  18.8      4     95.635/    95.635
   3      0.518  0.381  0.640     65.227  4.97  20.6      4     97.873/    97.873
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #131 of 153 (TRIAL #100 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 176.11  30.88 154.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.260  0.063  0.066     95.217  5.28
   2      0.760  0.563  0.066     95.217  5.28
   3      0.251  0.062  0.065     93.600  5.03
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #131 of 153 (TRIAL #100 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.760  0.563  0.066     73.638  5.28   0.0      2     95.217/    95.217
   2      0.935  0.499  0.170     73.263  4.93  13.0      2     92.985/    92.985

   SET #7 of 8 TRIAL #132 of 153 (TRIAL #101 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 218.97  34.60 185.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #133 of 153 (TRIAL #102 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 111.97  29.65 155.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 30 sites over 67.5% of top
   30 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.757  0.698  0.933     101.62  6.11
   2      0.257  0.198  0.933     101.62  6.11
   3      0.757  0.297  0.934      96.82  5.36
   #Sites = 30: output truncated to 3 sites

   Top 30 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #133 of 153 (TRIAL #102 of 122 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.257  0.198  0.933     80.064  6.11   0.0      6     101.62/    101.62
   2      0.757  0.297  0.934     75.371  5.36  46.2      2      96.82/     96.82
   3      0.728  0.716  0.367     74.466  5.36  23.1      4      96.82/     96.82
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #134 of 153 (TRIAL #103 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  47.30  26.90 133.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #135 of 153 (TRIAL #104 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 120.33  37.14 144.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #136 of 153 (TRIAL #105 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 233.34  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.225  0.794  0.966     93.874  5.10
   2      0.725  0.294  0.966     93.874  5.10
   3      0.229  0.793  0.972     92.938  4.96
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #136 of 153 (TRIAL #105 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.729  0.293  0.972     71.514  4.96   0.0      4     92.938/    93.874
   2      0.700  0.325  0.410     66.171  4.75  29.6      2     91.581/    91.581

   SET #7 of 8 TRIAL #137 of 153 (TRIAL #106 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler   9.26  30.05 168.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.502  0.535  0.565     93.526  5.00
   2      0.002  0.035  0.565     93.526  5.00
   3      0.803  0.599  0.453     93.136  4.93
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #137 of 153 (TRIAL #106 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.002  0.035  0.565     77.562  5.00   0.0      2     93.526/    93.526
   2      0.803  0.599  0.453     76.962  4.93  18.1      2     93.136/    93.136

   SET #7 of 8 TRIAL #138 of 153 (TRIAL #107 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 304.70  28.04 181.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #139 of 153 (TRIAL #108 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 285.39  20.58 161.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #140 of 153 (TRIAL #109 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  52.22  25.26 140.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #141 of 153 (TRIAL #110 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 136.82  38.13 146.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #142 of 153 (TRIAL #111 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 131.62  36.65 164.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #143 of 153 (TRIAL #112 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 316.39  19.88 167.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #144 of 153 (TRIAL #113 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 128.76  26.60 136.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #145 of 153 (TRIAL #114 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 209.76  41.76 152.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #146 of 153 (TRIAL #115 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 206.86  32.43 178.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #147 of 153 (TRIAL #116 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 209.83  31.58 154.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #148 of 153 (TRIAL #117 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  37.30  19.82 136.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #149 of 153 (TRIAL #118 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 186.87  43.84 170.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #150 of 153 (TRIAL #119 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 238.05  35.85 175.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #151 of 153 (TRIAL #120 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 306.52  14.35  74.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #152 of 153 (TRIAL #121 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 263.51  21.06 136.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.519  0.644  0.904     97.978  4.92
   2      0.019  0.144  0.904     97.978  4.92
   3      0.219  0.633  0.565     96.814  4.73
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #152 of 153 (TRIAL #121 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.602  0.653  0.561     68.968  4.30   0.0      2     94.227/    94.227
   2      0.045  0.096  0.450     68.271  4.52  34.7      2     95.588/    95.588
   3      0.569  0.107  0.812     64.465  4.73  21.0      2     96.812/    96.812
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #153 of 153 (TRIAL #122 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 300.35  24.44  96.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

---------------------------------
DEEP TRANSLATION FUNCTION #8 OF 8
---------------------------------

   79 trial orientations in deep search

   SOLU SET  RFZ=4.4 TFZ=4.4 PAK=0 LLG=55
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  308.4   38.5  146.3 FRAC -0.23  0.02 -0.19 BFAC -6.83
   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   83.6 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   83.3 RFZ  3.98

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.535   25.925  148.923 RF   82.3 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER   51.869   24.857  151.761 RF   81.4 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   81.4 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.424   24.033  161.846 RF   81.4 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   81.3 RFZ  3.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   81.2 RFZ  3.76 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   81.1 RFZ  3.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   81.0 RFZ  3.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   80.7 RFZ  3.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   80.5 RFZ  3.69 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   80.4 RFZ  3.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   80.3 RFZ  3.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   80.3 RFZ  3.66 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.201   26.601  163.128 RF   80.2 RFZ  3.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   80.2 RFZ  3.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   80.1 RFZ  3.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   80.0 RFZ  3.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   80.0 RFZ  3.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   79.8 RFZ  3.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   79.7 RFZ  3.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   79.7 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   79.7 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   79.6 RFZ  3.59 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   79.6 RFZ  3.59 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   79.5 RFZ  3.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   79.2 RFZ  3.55 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   79.2 RFZ  3.55 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   79.1 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   79.0 RFZ  3.53 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   79.0 RFZ  3.53 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   78.7 RFZ  3.50 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   78.7 RFZ  3.50 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   78.7 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   78.7 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   78.7 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   78.6 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   78.5 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   78.5 RFZ  3.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   78.4 RFZ  3.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   78.0 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   78.0 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   77.9 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   77.7 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   77.7 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   77.7 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   77.5 RFZ  3.37 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   77.4 RFZ  3.36 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   77.3 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   77.3 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   77.2 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   77.1 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   77.0 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   77.0 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   76.9 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   76.6 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   76.5 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   76.5 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   76.5 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   76.5 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   76.4 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   76.3 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   76.3 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   76.1 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   76.1 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   76.0 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   75.8 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   75.7 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   75.7 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   75.6 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   75.6 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   75.5 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   75.4 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  132.641   24.827  184.107 RF   75.4 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   75.3 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   75.3 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.087   47.928  196.726 RF   75.2 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   74.017   36.083  212.756 RF   75.2 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   75.1 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   75.1 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   21.857   46.476  196.197 RF   75.1 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   75.1 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   75.0 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   75.0 RFZ  3.10 # DEEP

   Scoring 510 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #8 of 8
   0%   100%
   |=====| DONE

   Mean Score (Sigma):       33.92   (10.68)

   SET #8 of 8 TRIAL #7 of 85 (TRIAL #1 of 79 deep)
   ------------------------------------------------
   Ensemble helix_pdb Euler 154.74  35.36 158.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.687  0.895  0.209     99.389  4.95
   2      0.187  0.395  0.209     99.389  4.95
   3      0.429  0.274  0.321     97.132  4.58
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #7 of 85 (TRIAL #1 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.473  0.868  0.212     80.900  4.49   0.0      2     96.582/    96.582
   2      0.187  0.395  0.209     78.919  4.95  28.6      2     99.389/    99.389
   3      0.929  0.774  0.321     77.475  4.58  30.1      2     97.132/    97.132
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #8 of 8 TRIAL #8 of 85 (TRIAL #2 of 79 deep)
   ------------------------------------------------
   Ensemble helix_pdb Euler  95.22  25.15 143.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.597  0.034  0.550     98.603  5.13
   2      0.097  0.534  0.550     98.603  5.13

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #8 of 85 (TRIAL #2 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.097  0.534  0.550     83.854  5.13   0.0      2     98.603/    98.603

   SET #8 of 8 TRIAL #9 of 85 (TRIAL #3 of 79 deep)
   ------------------------------------------------
   Ensemble helix_pdb Euler 144.54  34.20 148.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 28 sites over 67.5% of top
   28 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.489  0.209  0.930     97.549  4.83
   2      0.989  0.709  0.930     97.549  4.83
   3      0.496  0.992  0.433     96.851  4.71
   #Sites = 28: output truncated to 3 sites

   Top 28 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #9 of 85 (TRIAL #3 of 79 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.993  0.262  0.934     83.019  4.55   0.0      2     95.819/    95.819
   2      0.505  0.516  0.434     80.609  4.33  35.1      4     94.479/    95.448
   3      0.862  0.815  0.060     80.427  4.23  21.2      2     93.875/    93.875
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #8 of 8 TRIAL #10 of 85 (TRIAL #4 of 79 deep)
   -------------------------------------------------
   Ensemble helix_pdb Euler 254.25  27.73 166.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.527  0.537  0.039     99.213  5.06
   2      0.027  0.037  0.039     99.213  5.06
   3      0.339  0.505  0.158     98.135  4.88
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #10 of 85 (TRIAL #4 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.027  0.037  0.039     79.859  5.06   0.0      2     99.213/    99.213
   2      0.839  0.005  0.158     79.644  4.88  22.5      4     98.135/    98.135
   3      0.722  0.481  0.373     75.868  4.26  30.4      2     94.432/    94.432
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #8 of 8 TRIAL #11 of 85 (TRIAL #5 of 79 deep)
   -------------------------------------------------
   Ensemble helix_pdb Euler 311.90  26.45 162.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.357  0.546  0.059     99.017  4.99
   2      0.857  0.046  0.059     99.017  4.99
   3      0.530  0.539  0.389     97.795  4.79
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #11 of 85 (TRIAL #5 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.530  0.539  0.389     83.204  4.79   0.0      2     97.795/    97.795
   2      0.548  0.379  0.940     78.200  4.56  17.6      2     96.396/    96.396
   3      0.638  0.773  0.886     77.693  4.32  15.1      2     94.952/    94.952
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #8 of 8 TRIAL #12 of 85 (TRIAL #6 of 79 deep)
   -------------------------------------------------
   Ensemble helix_pdb Euler  68.53  27.20 153.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 24 sites over 67.5% of top
   24 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.599  0.018  0.533     97.553  4.67
   2      0.099  0.518  0.533     97.553  4.67
   3      0.603  0.007  0.537     97.315  4.63
   #Sites = 24: output truncated to 3 sites

   Top 24 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #12 of 85 (TRIAL #6 of 79 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.309  0.302  0.428     81.227  4.53   0.0      4     96.701/    96.701
   2      0.603  0.007  0.537     77.308  4.63   9.8      4     97.315/    97.553
   3      0.584  0.454  0.762     76.526  4.27  20.2      2     95.153/    95.153
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #8 of 8 TRIAL #13 of 85 (TRIAL #7 of 79 deep)
   -------------------------------------------------
   Ensemble helix_pdb Euler  65.08  29.91 146.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.562  0.893  0.418     100.42  5.55
   2      0.062  0.393  0.418     100.42  5.55
   3      0.613  0.900  0.531      97.05  4.99
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #13 of 85 (TRIAL #7 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.562  0.893  0.418     86.121  5.55   0.0      4     100.42/    100.42
   2      0.113  0.400  0.531     80.094  4.99  30.4      2      97.05/     97.05

   SET #8 of 8 TRIAL #14 of 85 (TRIAL #8 of 79 deep)
   -------------------------------------------------
   Ensemble helix_pdb Euler 119.80  27.80 146.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.565  0.066  0.553     95.711  4.64
   2      0.065  0.566  0.553     95.711  4.64
   3      0.563  0.614  0.552     94.994  4.52
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #14 of 85 (TRIAL #8 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.065  0.566  0.553     72.691  4.64   0.0      2     95.711/    95.711
   2      0.563  0.614  0.552     71.840  4.52  39.0      2     94.994/    94.994
   3      0.297  0.073  0.997     70.732  4.49  24.7      2     94.824/    94.824

   SET #8 of 8 TRIAL #15 of 85 (TRIAL #9 of 79 deep)
   -------------------------------------------------
   Ensemble helix_pdb Euler 114.54  26.45 142.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.594  0.069  0.108     97.104  5.09
   2      0.094  0.569  0.108     97.104  5.09
   3      0.783  0.453  0.942     94.446  4.63
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #15 of 85 (TRIAL #9 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.283  0.953  0.942     80.682  4.63   0.0      2     94.446/    94.446
   2      0.594  0.069  0.108     76.623  5.09  13.9      2     97.104/    97.104

   SET #8 of 8 TRIAL #16 of 85 (TRIAL #10 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 302.20  26.60 163.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.347  0.524  0.056     97.409  4.87
   2      0.847  0.024  0.056     97.409  4.87
   3      0.563  0.503  0.497     97.018  4.80
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #16 of 85 (TRIAL #10 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.019  0.013  0.385     82.765  4.75   0.0      2     96.697/    96.697
   2      0.063  0.003  0.497     76.341  4.80   5.5      2     97.018/    97.018
   3      0.585  0.472  0.052     74.347  4.68  32.4      2     96.277/    96.277
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #8 of 8 TRIAL #17 of 85 (TRIAL #11 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 138.41  28.85 146.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.595  0.595  0.667     94.289  4.45
   2      0.095  0.095  0.667     94.289  4.45

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #17 of 85 (TRIAL #11 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.095  0.095  0.667     71.068  4.45   0.0      2     94.289/    94.289

   SET #8 of 8 TRIAL #18 of 85 (TRIAL #12 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  66.88  34.65 143.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #19 of 85 (TRIAL #13 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 240.92  26.84 170.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.336  0.486  0.161     95.241  4.84
   2      0.836  0.986  0.161     95.241  4.84

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #19 of 85 (TRIAL #13 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.336  0.486  0.161     80.383  4.84   0.0      2     95.241/    95.241

   SET #8 of 8 TRIAL #20 of 85 (TRIAL #14 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 281.57  33.45 166.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #21 of 85 (TRIAL #15 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 130.85  39.28 153.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.677  0.883  0.087     96.409  5.33
   2      0.177  0.383  0.087     96.409  5.33
   3      0.677  0.658  0.587     93.134  4.77
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #21 of 85 (TRIAL #15 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.677  0.883  0.087     82.340  5.33   0.0      2     96.409/    96.409
   2      0.677  0.658  0.587     78.357  4.77  32.2      2     93.134/    93.134

   SET #8 of 8 TRIAL #22 of 85 (TRIAL #16 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 136.29  40.23 158.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.664  0.840  0.085     94.650  4.89
   2      0.164  0.340  0.085     94.650  4.89
   3      0.508  0.343  0.187     93.493  4.69
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #22 of 85 (TRIAL #16 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.508  0.343  0.187     86.011  4.69   0.0      2     93.493/    93.493
   2      0.164  0.340  0.085     79.673  4.89  28.0      2     94.650/    94.650

   SET #8 of 8 TRIAL #23 of 85 (TRIAL #17 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 290.39  33.10 166.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.504  0.651  0.368     94.945  4.73
   2      0.004  0.151  0.368     94.945  4.73
   3      0.511  0.981  0.696     94.519  4.65
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #23 of 85 (TRIAL #17 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.511  0.981  0.696     80.728  4.65   0.0      2     94.519/    94.519
   2      0.504  0.651  0.368     76.169  4.73   8.5      2     94.945/    94.945

   SET #8 of 8 TRIAL #24 of 85 (TRIAL #18 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 231.17  27.28 171.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.305  0.350  0.102     94.585  4.67
   2      0.805  0.850  0.102     94.585  4.67
   3      0.305  0.020  0.601     94.489  4.65
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #24 of 85 (TRIAL #18 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.805  0.520  0.601     80.224  4.65   0.0      2     94.489/    94.489
   2      0.805  0.850  0.102     77.720  4.67  32.6      2     94.585/    94.585

   SET #8 of 8 TRIAL #25 of 85 (TRIAL #19 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 170.10  30.70 141.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.704  0.011  0.679     94.273  4.51
   2      0.204  0.511  0.679     94.273  4.51

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #25 of 85 (TRIAL #19 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.704  0.011  0.679     78.004  4.51   0.0      2     94.273/    94.273

   SET #8 of 8 TRIAL #26 of 85 (TRIAL #20 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 332.57  27.01 170.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.805  0.716  0.041     93.994  4.81
   2      0.305  0.216  0.041     93.994  4.81
   3      0.800  0.722  0.031     93.618  4.75
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #26 of 85 (TRIAL #20 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.805  0.716  0.041     81.001  4.81   0.0      4     93.994/    93.994

   SET #8 of 8 TRIAL #27 of 85 (TRIAL #21 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 266.43  24.03 172.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.608  0.490  0.163     97.587  5.42
   2      0.108  0.990  0.163     97.587  5.42
   3      0.609  0.308  0.163     94.615  4.91
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #27 of 85 (TRIAL #21 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.608  0.490  0.163     84.193  5.42   0.0      2     97.587/    97.587
   2      0.296  0.779  0.495     84.016  4.68  18.7      2     93.287/    93.287
   3      0.609  0.308  0.163     79.075  4.91   4.3      2     94.615/    94.615
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #8 of 8 TRIAL #28 of 85 (TRIAL #22 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 125.04  28.98 150.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 36 sites over 67.5% of top
   36 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.545  0.026  0.549     97.754  4.82
   2      0.045  0.526  0.549     97.754  4.82
   3      0.301  0.362  0.551     97.711  4.82
   #Sites = 36: output truncated to 3 sites

   Top 36 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #28 of 85 (TRIAL #22 of 79 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 14 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.807  0.864  0.558     80.612  4.55   0.0      4     96.140/    97.711
   2      0.366  0.447  0.425     79.120  4.25  19.4      2     94.334/    94.334
   3      0.232  0.408  0.880     78.784  4.49  27.8      2     95.729/    95.729
   #SITES = 14: OUTPUT TRUNCATED TO 3 SITES

   SET #8 of 8 TRIAL #29 of 85 (TRIAL #23 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 238.45  34.59 163.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.495  0.147  0.461     94.641  4.68
   2      0.995  0.647  0.461     94.641  4.68
   3      0.701  0.437  0.732     93.526  4.49
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #29 of 85 (TRIAL #23 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.701  0.437  0.732     79.542  4.49   0.0      2     93.526/    93.526
   2      0.995  0.647  0.461     75.253  4.68  35.8      2     94.641/    94.641

   SET #8 of 8 TRIAL #30 of 85 (TRIAL #24 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 160.97  29.98 141.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #31 of 85 (TRIAL #25 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  86.17  34.18 153.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 20 sites over 67.5% of top
   20 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.576  0.412  0.527     100.71  5.36
   2      0.076  0.912  0.527     100.71  5.36
   3      0.577  0.970  0.527      98.78  5.03
   #Sites = 20: output truncated to 3 sites

   Top 20 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #31 of 85 (TRIAL #25 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.391  0.404  0.414     80.160  4.90   0.0      4     98.010/    98.010
   2      0.257  0.709  0.853     75.998  4.41  30.1      2     95.130/    95.130
   3      0.577  0.970  0.527     75.981  5.03  10.7      4     98.781/    98.781
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #8 of 8 TRIAL #32 of 85 (TRIAL #26 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  72.90  36.76 146.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #33 of 85 (TRIAL #27 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  56.35  20.61 156.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.574  0.099  0.677     94.720  5.06
   2      0.074  0.599  0.677     94.720  5.06
   3      0.392  0.014  0.105     93.324  4.81
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #33 of 85 (TRIAL #27 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.574  0.099  0.677     88.187  5.06   0.0      2     94.720/    94.720

   SET #8 of 8 TRIAL #34 of 85 (TRIAL #28 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 114.47  38.85 151.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #35 of 85 (TRIAL #29 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  89.72  37.80 148.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #36 of 85 (TRIAL #30 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 226.10  28.67 167.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.529  0.981  0.582     95.648  4.73
   2      0.029  0.481  0.582     95.648  4.73
   3      0.526  0.444  0.356     95.375  4.68
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #36 of 85 (TRIAL #30 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.026  0.944  0.356     80.064  4.68   0.0      2     95.375/    95.375
   2      0.808  0.046  0.144     74.139  4.55  15.6      2     94.617/    94.617
   3      0.529  0.981  0.582     72.071  4.73  38.6      2     95.648/    95.648

   SET #8 of 8 TRIAL #37 of 85 (TRIAL #31 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 179.38  35.69 151.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.472  0.443  0.444     99.454  5.69
   2      0.972  0.943  0.444     99.454  5.69
   3      0.471  0.983  0.448     93.134  4.63
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #37 of 85 (TRIAL #31 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.472  0.443  0.444     81.976  5.69   0.0      2     99.454/    99.454
   2      0.971  0.483  0.448     71.444  4.63  43.5      2     93.134/    93.134

   SET #8 of 8 TRIAL #38 of 85 (TRIAL #32 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  41.80  24.60 152.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.365  0.356  0.172     96.794  5.32
   2      0.865  0.856  0.172     96.794  5.32
   3      0.665  0.902  0.647     95.684  5.13
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #38 of 85 (TRIAL #32 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.865  0.856  0.172     81.413  5.32   0.0      2     96.794/    96.794
   2      0.665  0.902  0.647     80.592  5.13  25.6      2     95.684/    95.684
   3      0.125  0.448  0.534     73.890  4.68  20.6      2     93.065/    93.065

   SET #8 of 8 TRIAL #39 of 85 (TRIAL #33 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  98.11  38.34 149.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #40 of 85 (TRIAL #34 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 133.57  27.81 141.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #41 of 85 (TRIAL #35 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 243.79  38.08 168.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #42 of 85 (TRIAL #36 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 351.88  21.68 148.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #43 of 85 (TRIAL #37 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 316.81  32.12 167.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.672  0.645  0.947     96.694  5.13
   2      0.172  0.145  0.947     96.694  5.13
   3      0.516  0.559  0.380     94.766  4.80
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #43 of 85 (TRIAL #37 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.672  0.645  0.947     78.145  5.13   0.0      2     96.694/    96.694
   2      0.516  0.559  0.380     77.168  4.80  16.5      2     94.766/    94.766
   3      0.489  0.634  0.820     70.415  4.77  13.2      2     94.646/    94.646

   SET #8 of 8 TRIAL #44 of 85 (TRIAL #38 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 331.02  25.47 151.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.584  0.496  0.513     94.819  4.92
   2      0.084  0.996  0.513     94.819  4.92
   3      0.393  0.514  0.289     93.620  4.72
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #44 of 85 (TRIAL #38 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.084  0.996  0.513     79.041  4.92   0.0      4     94.819/    94.819
   2      0.893  0.014  0.289     77.928  4.72  11.4      2     93.620/    93.620

   SET #8 of 8 TRIAL #45 of 85 (TRIAL #39 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 335.56  60.15 153.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #46 of 85 (TRIAL #40 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  10.68  27.05 148.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.843  0.118  0.962     93.953  4.85
   2      0.343  0.618  0.962     93.953  4.85
   3      0.568  0.653  0.410     93.922  4.85
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #46 of 85 (TRIAL #40 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.610  0.637  0.520     76.310  4.81   0.0      2     93.729/    93.729
   2      0.568  0.653  0.410     73.944  4.85   5.4      2     93.922/    93.922
   3      0.843  0.118  0.962     67.994  4.85  24.5      2     93.953/    93.953

   SET #8 of 8 TRIAL #47 of 85 (TRIAL #41 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  94.86  34.47 153.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.568  0.422  0.528     98.328  5.24
   2      0.068  0.922  0.528     98.328  5.24
   3      0.568  0.953  0.529     96.218  4.89
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #47 of 85 (TRIAL #41 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.568  0.953  0.529     72.325  4.89   0.0      2     96.218/    96.218
   2      0.068  0.922  0.528     72.304  5.24  36.1      2     98.328/    98.328
   3      0.070  0.357  0.526     65.314  4.64  37.1      2     94.742/    94.742

   SET #8 of 8 TRIAL #48 of 85 (TRIAL #42 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 217.47  27.18 176.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #49 of 85 (TRIAL #43 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 168.90  35.29 142.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #50 of 85 (TRIAL #44 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler   1.14  23.98 157.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.621  0.718  0.524     96.235  5.44
   2      0.121  0.218  0.524     96.235  5.44

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #50 of 85 (TRIAL #44 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.621  0.718  0.524     86.591  5.44   0.0      2     96.235/    96.235

   SET #8 of 8 TRIAL #51 of 85 (TRIAL #45 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 152.55  30.04 150.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.473  0.010  0.444     94.145  4.51
   2      0.973  0.510  0.444     94.145  4.51

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #51 of 85 (TRIAL #45 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.473  0.010  0.444     69.573  4.51   0.0      2     94.145/    94.145

   SET #8 of 8 TRIAL #52 of 85 (TRIAL #46 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 219.01  39.25 165.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #53 of 85 (TRIAL #47 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 276.54  23.49 171.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #54 of 85 (TRIAL #48 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 246.31  25.15 174.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #55 of 85 (TRIAL #49 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 286.88  23.04 169.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.432  0.889  0.396     93.630  5.32
   2      0.932  0.389  0.396     93.630  5.32

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #55 of 85 (TRIAL #49 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.432  0.889  0.396     79.674  5.32   0.0      2     93.630/    93.630

   SET #8 of 8 TRIAL #56 of 85 (TRIAL #50 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 168.78  39.95 163.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #57 of 85 (TRIAL #51 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 302.48  34.53 174.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #58 of 85 (TRIAL #52 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 174.84  35.22 168.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #59 of 85 (TRIAL #53 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 188.54  36.06 151.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.467  0.414  0.445     92.555  5.04
   2      0.967  0.914  0.445     92.555  5.04

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #59 of 85 (TRIAL #53 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.967  0.914  0.445     75.296  5.04   0.0      2     92.555/    92.555

   SET #8 of 8 TRIAL #60 of 85 (TRIAL #54 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 155.42  39.96 157.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #61 of 85 (TRIAL #55 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 350.92  26.21 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.605  0.678  0.516     97.023  5.49
   2      0.105  0.178  0.516     97.023  5.49
   3      0.806  0.676  0.040     93.225  4.86
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #61 of 85 (TRIAL #55 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.105  0.178  0.516     85.148  5.49   0.0      2     97.023/    97.023
   2      0.806  0.676  0.040     76.621  4.86  26.5      2     93.225/    93.225

   SET #8 of 8 TRIAL #62 of 85 (TRIAL #56 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 165.48  35.57 167.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #63 of 85 (TRIAL #57 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 322.82  28.56 160.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.575  0.598  0.498     97.591  5.31
   2      0.075  0.098  0.498     97.591  5.31
   3      0.526  0.585  0.385     97.490  5.29
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #63 of 85 (TRIAL #57 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.526  0.585  0.385     80.653  5.29   0.0      2     97.490/    97.490
   2      0.575  0.598  0.498     78.459  5.31   5.5      2     97.591/    97.591
   3      0.056  0.410  0.940     75.785  4.82  33.4      2     94.609/    94.609

   SET #8 of 8 TRIAL #64 of 85 (TRIAL #58 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 260.28  37.31 170.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #65 of 85 (TRIAL #59 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  30.36  24.91 165.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #66 of 85 (TRIAL #60 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  27.07  27.83 147.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.369  0.368  0.020     95.029  5.47
   2      0.869  0.868  0.020     95.029  5.47
   3      0.369  0.883  0.020     93.878  5.28
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #66 of 85 (TRIAL #60 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.619  0.717  0.528     77.524  5.06   0.0      2     92.583/    92.583
   2      0.869  0.868  0.020     76.741  5.47  24.3      2     95.029/    95.029
   3      0.368  0.060  0.521     74.512  5.14   9.1      2     93.062/    93.062
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #8 of 8 TRIAL #67 of 85 (TRIAL #61 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  60.80  26.59 129.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #68 of 85 (TRIAL #62 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 232.62  37.51 171.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #69 of 85 (TRIAL #63 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 296.42  20.58 159.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #70 of 85 (TRIAL #64 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 207.91  27.89 176.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #71 of 85 (TRIAL #65 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 224.30  30.75 179.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #72 of 85 (TRIAL #66 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 163.57  39.98 158.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #73 of 85 (TRIAL #67 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 248.33  29.35 162.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.511  0.588  0.031     93.482  4.81
   2      0.011  0.088  0.031     93.482  4.81

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #73 of 85 (TRIAL #67 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.011  0.088  0.031     72.308  4.81   0.0      2     93.482/    93.482

   SET #8 of 8 TRIAL #74 of 85 (TRIAL #68 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 248.54  40.68 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #75 of 85 (TRIAL #69 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 132.64  24.83 184.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 38 sites over 67.5% of top
   38 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.255  0.771  0.138     100.27  5.09
   2      0.755  0.271  0.138     100.27  5.09
   3      0.252  0.769  0.132      99.65  4.98
   #Sites = 38: output truncated to 3 sites

   Top 38 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #75 of 85 (TRIAL #69 of 79 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.315  0.345  0.454     84.741  4.83   0.0      2     98.755/    98.755

   SET #8 of 8 TRIAL #76 of 85 (TRIAL #70 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 352.12  21.60 169.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #77 of 85 (TRIAL #71 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 207.45  29.35 167.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #78 of 85 (TRIAL #72 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  63.09  47.93 196.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #79 of 85 (TRIAL #73 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  74.02  36.08 212.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #80 of 85 (TRIAL #74 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  42.56  32.81 151.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.549  0.773  0.407     99.708  5.93
   2      0.049  0.273  0.407     99.708  5.93
   3      0.550  0.274  0.405     95.759  5.26
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #80 of 85 (TRIAL #74 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.549  0.773  0.407     77.783  5.93   0.0      2     99.708/    99.708
   2      0.598  0.800  0.522     75.562  5.13   5.6      2     94.981/    94.981
   3      0.550  0.274  0.405     70.462  5.26  11.9      2     95.759/    95.759

   SET #8 of 8 TRIAL #81 of 85 (TRIAL #75 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  10.94  21.02 165.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.676  0.905  0.643     92.610  5.46
   2      0.176  0.405  0.643     92.610  5.46

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #81 of 85 (TRIAL #75 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.176  0.405  0.643     81.825  5.46   0.0      2     92.610/    92.610

   SET #8 of 8 TRIAL #82 of 85 (TRIAL #76 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  21.86  46.48 196.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #83 of 85 (TRIAL #77 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 221.27  34.97 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #84 of 85 (TRIAL #78 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 285.32  35.80 173.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #85 of 85 (TRIAL #79 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  34.98  58.45 174.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring
------------------------------------------------------------------------------------------
Advisory: The top solution from a FTF did not pack
------------------------------------------------------------------------------------------

   Translation Function Results
   Top1: ENSEMBLE helix_pdb EULER 335.557 60.151 153.683 FRAC 0.761 0.201 0.020 TF=107.9

   Translation Function Table
   --------------------------
   SET ROT*deep   Top   (Z)     Second   (Z)      Third   (Z) SpaceGroup  Ensemble
     1   1       89.6  3.90       87.9  3.94       87.0  4.15 C 1 2 1  helix_pd   
     1   2       93.5  4.51       89.0  4.73       88.1  4.47 C 1 2 1  helix_pd   
     1   3       90.5  3.83       89.8  4.22       88.8  4.32 C 1 2 1  helix_pd   
     1   4       90.0  4.84       87.9  4.85       87.8  4.14 C 1 2 1  helix_pd   
     1   5       89.3  4.17       88.8  4.63       86.6  4.28 C 1 2 1  helix_pd   
     1   6       97.9  4.96       87.8  4.71       86.4  3.82 C 1 2 1  helix_pd   
     1   7       97.7  4.60       88.3  4.37       87.1  4.35 C 1 2 1  helix_pd   
     1   8       91.5  5.16       91.3  5.33       90.9  4.46 C 1 2 1  helix_pd   
     1   9       96.8  5.16       91.5  5.11       84.0  4.15 C 1 2 1  helix_pd   
     1  10       88.5  4.09       85.8  3.85       84.0  4.31 C 1 2 1  helix_pd   
     1  11       94.2  4.53       91.9  5.26       91.3  4.34 C 1 2 1  helix_pd   
     1  12       91.0  4.06       88.0  4.63       87.7  4.28 C 1 2 1  helix_pd   
     1  13       87.0  4.28       86.3  4.28       85.6  4.68 C 1 2 1  helix_pd   
     1  14       88.6  4.54       87.1  4.57       86.3  4.09 C 1 2 1  helix_pd   
     1  15       93.3  4.70       87.4  4.58       86.2  3.70 C 1 2 1  helix_pd   
     1  16       90.7  4.84       88.2  4.01       88.0  4.22 C 1 2 1  helix_pd   
     1  17       86.4  4.25       86.3  4.05       84.5  4.13 C 1 2 1  helix_pd   
     1  18       94.5  4.59       87.6  4.49       87.5  5.05 C 1 2 1  helix_pd   
     1  19       91.9  4.86       88.2  4.03       88.1  4.96 C 1 2 1  helix_pd   
     1  20       94.3  5.28       86.6  3.86       85.8  4.02 C 1 2 1  helix_pd   
     1  21       89.4  4.70       89.3  4.33       85.3  4.77 C 1 2 1  helix_pd   
     1  22       91.8  4.53       90.5  4.65       84.8  4.37 C 1 2 1  helix_pd   
     1  23       97.4  4.57       85.4  4.77       84.8  4.42 C 1 2 1  helix_pd   
     1  24       85.2  4.37       81.9  4.39       81.7  4.85 C 1 2 1  helix_pd   
     1  25       82.8  4.20       78.5  4.15       77.5  4.12 C 1 2 1  helix_pd   
     1  26       92.9  4.46       89.9  4.75       85.1  4.69 C 1 2 1  helix_pd   
     1  27       85.3  4.15       81.8  4.40       81.7  4.37 C 1 2 1  helix_pd   
     1  28       87.4  4.67       87.1  4.92       85.1  4.74 C 1 2 1  helix_pd   
     1  29       84.8  4.68       83.3  4.24       82.2  4.35 C 1 2 1  helix_pd   
     1  30       89.4  4.78       85.7  4.21       83.1  3.98 C 1 2 1  helix_pd   
     1  31       90.4  4.79       87.1  4.02       83.3  4.32 C 1 2 1  helix_pd   
     1  32       86.9  4.49       83.3  4.21       81.3  4.14 C 1 2 1  helix_pd   
     1  33       85.0  4.67       80.3  4.07       78.3  4.09 C 1 2 1  helix_pd   
     1  34       89.2  5.01       81.3  4.59       80.4  4.20 C 1 2 1  helix_pd   
     1  35       93.5  5.13       87.0  4.37       84.4  4.37 C 1 2 1  helix_pd   
     1  36       83.2  4.52       80.2  4.36          -     - C 1 2 1  helix_pd   
     1  37      101.3  6.16          -     -          -     - C 1 2 1  helix_pd   
     1  38       84.0  4.35       82.0  4.37       81.8  4.50 C 1 2 1  helix_pd   
     1  39       88.5  5.04       85.2  4.51       84.5  4.21 C 1 2 1  helix_pd   
     1  40       82.8  4.96       82.5  4.74       80.4  4.19 C 1 2 1  helix_pd   
     1  41       98.5  5.22       87.2  4.79          -     - C 1 2 1  helix_pd   
     1  42       90.0  5.08       87.8  4.58       84.6  4.60 C 1 2 1  helix_pd   
     1  43       90.6  5.15       88.3  4.84       81.6  4.25 C 1 2 1  helix_pd   
     1  44          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  45       86.3  4.90       85.6  4.22       85.1  4.46 C 1 2 1  helix_pd   
     1  46       84.9  4.56       81.1  4.22       78.3  4.77 C 1 2 1  helix_pd   
     1  47       88.2  4.99       85.3  4.06       84.1  4.80 C 1 2 1  helix_pd   
     1  48       89.6  5.13       84.8  4.54       83.1  4.24 C 1 2 1  helix_pd   
     1  49       91.8  4.83       85.7  4.60       84.7  4.61 C 1 2 1  helix_pd   
     1  50      102.0  5.42          -     -          -     - C 1 2 1  helix_pd   
     1  51       91.5  4.76       86.9  4.85       85.8  4.53 C 1 2 1  helix_pd   
     1  52       90.1  4.46       80.2  4.71       78.9  3.98 C 1 2 1  helix_pd   
     1  53          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  54       84.0  4.39       81.6  4.20       80.5  4.56 C 1 2 1  helix_pd   
     1  55       85.9  4.28       83.6  4.28       81.2  5.03 C 1 2 1  helix_pd   
     1  56       80.1  4.60       75.3  4.66       72.6  4.79 C 1 2 1  helix_pd   
     1  57       96.3  5.83          -     -          -     - C 1 2 1  helix_pd   
     1  58       88.6  4.41       84.1  4.45       83.1  5.42 C 1 2 1  helix_pd   
     1  59       85.7  4.90          -     -          -     - C 1 2 1  helix_pd   
     1  60          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  61       88.5  4.24       84.3  4.87       83.5  3.99 C 1 2 1  helix_pd   
     1  62       86.3  4.54       83.4  4.85       79.0  4.70 C 1 2 1  helix_pd   
     1  63          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  64       88.1  5.26       83.5  4.47       76.4  4.46 C 1 2 1  helix_pd   
     1  65          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  66          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  67       82.0  5.32       81.9  4.61       75.3  4.53 C 1 2 1  helix_pd   
     1  68          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  69       84.8  4.87          -     -          -     - C 1 2 1  helix_pd   
     1  70       74.9  4.66       74.1  5.15       72.3  4.55 C 1 2 1  helix_pd   
     1  71       92.6  5.06       88.3  4.75          -     - C 1 2 1  helix_pd   
     1  72       85.6  5.03          -     -          -     - C 1 2 1  helix_pd   
     1  73       87.2  4.60       79.4  4.60       78.4  4.85 C 1 2 1  helix_pd   
     1  74       85.3  5.07          -     -          -     - C 1 2 1  helix_pd   
     1  75      104.3  6.61       89.8  4.84          -     - C 1 2 1  helix_pd   
     1  76       85.7  4.82          -     -          -     - C 1 2 1  helix_pd   
     1  77       85.0  4.52       83.8  4.54       77.1  4.49 C 1 2 1  helix_pd   
     1  78          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  79          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  80          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  81       83.2  4.19       81.1  4.60       78.5  4.21 C 1 2 1  helix_pd   
     1  82          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  83       93.6  5.58          -     -          -     - C 1 2 1  helix_pd   
     1  84          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  85       71.9  4.67          -     -          -     - C 1 2 1  helix_pd   
     1  86       79.9  5.00          -     -          -     - C 1 2 1  helix_pd   
     1  87          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  88       72.6  4.67          -     -          -     - C 1 2 1  helix_pd   
     1  89       79.4  4.65       75.5  4.63          -     - C 1 2 1  helix_pd   
     1  90       86.0  4.55       77.7  4.22       74.7  4.52 C 1 2 1  helix_pd   
     1  91       83.1  4.85          -     -          -     - C 1 2 1  helix_pd   
     1  92          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  93       79.5  5.20       75.0  5.38       73.5  5.01 C 1 2 1  helix_pd   
     1  94       83.4  4.81       76.1  4.48       75.0  4.49 C 1 2 1  helix_pd   
     1  95          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  96          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  97          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  98       82.7  4.76       75.3  4.44       74.8  4.47 C 1 2 1  helix_pd   
     1  99          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 100          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 101       83.1  4.16       79.7  4.13       77.0  4.67 C 1 2 1  helix_pd   
     1 102          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 103          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 104       91.9  5.51          -     -          -     - C 1 2 1  helix_pd   
     1 105          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 106          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 107*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 108*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 109*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 110*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 111*      78.6  4.34       78.4  4.62       76.2  4.37 C 1 2 1  helix_pd   
     1 112*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 113*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 114*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 115*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 116*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 117*      80.2  4.43       78.8  5.17       72.8  4.37 C 1 2 1  helix_pd   
     1 118*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 119*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 120*      85.0  4.62       76.9  4.51       76.6  4.40 C 1 2 1  helix_pd   
     1 121*      82.8  5.09          -     -          -     - C 1 2 1  helix_pd   
     1 122*      82.4  5.02       81.8  5.20       76.9  4.75 C 1 2 1  helix_pd   
     1 123*      90.3  4.91          -     -          -     - C 1 2 1  helix_pd   
     1 124*      91.4  5.92          -     -          -     - C 1 2 1  helix_pd   
     1 125*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 126*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 127*      76.8  4.44          -     -          -     - C 1 2 1  helix_pd   
     1 128*      85.6  5.36          -     -          -     - C 1 2 1  helix_pd   
     1 129*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 130*      90.0  5.31          -     -          -     - C 1 2 1  helix_pd   
     1 131*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 132*      76.4  4.44       76.0  4.32       75.4  4.73 C 1 2 1  helix_pd   
     1 133*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 134*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 135*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 136*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 137*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 138*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 139*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 140*      89.8  5.33          -     -          -     - C 1 2 1  helix_pd   
     1 141*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 142*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 143*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 144*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 145*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 146*      79.0  4.51       71.0  5.42          -     - C 1 2 1  helix_pd   
     1 147*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 148*      80.8  4.81       78.7  4.30       77.6  4.95 C 1 2 1  helix_pd   
     1 149*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 150*      77.0  4.42       76.9  4.53       73.5  4.43 C 1 2 1  helix_pd   
     1 151*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 152*      74.9  4.65       69.0  4.76          -     - C 1 2 1  helix_pd   
     1 153*      66.7  4.82          -     -          -     - C 1 2 1  helix_pd   
     1 154*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 155*      74.5  4.60       69.0  4.40       68.5  4.85 C 1 2 1  helix_pd   
     1 156*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 157*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 158*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 159*      90.1  5.46          -     -          -     - C 1 2 1  helix_pd   
     1 160*      71.0  4.72       70.5  4.93          -     - C 1 2 1  helix_pd   
     1 161*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 162*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 163*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 164*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 165*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 166*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 167*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 168*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 169*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 170*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 171*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 172*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 173*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 174*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 175*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 176*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 177*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 178*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 179*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 180*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 181*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 182*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 183*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 184*      77.4  4.75       74.5  5.02       70.2  4.82 C 1 2 1  helix_pd   
     1 185*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 186*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 187*      77.3  5.23       73.7  4.64       73.4  4.62 C 1 2 1  helix_pd   
     1 188*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 189*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 190*      74.6  4.85          -     -          -     - C 1 2 1  helix_pd   
     1 191*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 192*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 193*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 194*      98.6  6.74          -     -          -     - C 1 2 1  helix_pd   
     1 195*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 196*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 197*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 198*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 199*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 200*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 201*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 202*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 203*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 204*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 205*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 206*      91.1  5.74          -     -          -     - C 1 2 1  helix_pd   
     1 207*      91.2  5.98          -     -          -     - C 1 2 1  helix_pd   
     1 208*      72.9  5.45       72.8  4.88          -     - C 1 2 1  helix_pd   
     1 209*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 210*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 211*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 212*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 213*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 214*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 215*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 216*      77.0  5.11       76.9  4.96       73.9  4.85 C 1 2 1  helix_pd   
     1 217*      71.8  4.70       68.5  4.53       66.8  4.66 C 1 2 1  helix_pd   
     1 218*      75.9  4.49       73.1  4.54       73.0  4.94 C 1 2 1  helix_pd   
     1 219*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 220*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 221*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 222*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 223*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 224*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 225*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 226*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 227*      69.2  4.13       66.6  4.26       65.1  4.40 C 1 2 1  helix_pd   
     1 228*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 229*      66.6  4.87          -     -          -     - C 1 2 1  helix_pd   
     1 230*      77.7  5.84       72.3  4.90       67.5  4.71 C 1 2 1  helix_pd   
     1 231*      79.7  5.24          -     -          -     - C 1 2 1  helix_pd   
     1 232*      84.0  5.11          -     -          -     - C 1 2 1  helix_pd   
     1 233*      67.7  4.46       65.3  4.68       60.5  4.71 C 1 2 1  helix_pd   
     1 234*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 235*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 236*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 237*      79.2  5.09       74.7  4.91       72.2  4.76 C 1 2 1  helix_pd   
     1 238*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 239*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 240*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 241*      75.9  4.99       68.7  5.24          -     - C 1 2 1  helix_pd   
     1 242*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 243*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 244*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 245*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 246*      90.0  4.98       77.5  5.44       76.8  4.54 C 1 2 1  helix_pd   
     1 247*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 248*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 249*      71.7  4.64       67.6  4.89          -     - C 1 2 1  helix_pd   
     1 250*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 251*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 252*      89.8  5.84          -     -          -     - C 1 2 1  helix_pd   
     1 253*      75.0  4.91       70.3  4.62       69.4  4.61 C 1 2 1  helix_pd   
     1 254*      75.7  4.42          -     -          -     - C 1 2 1  helix_pd   
     1 255*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 256*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 257*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 258*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 259*      64.2  4.53       63.7  4.75       59.9  4.97 C 1 2 1  helix_pd   
     1 260*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 261*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 262*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 263*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 264*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 265*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 266*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 267*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 268*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 269*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 270*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 271*      73.9  5.41       67.5  5.07          -     - C 1 2 1  helix_pd   
     1 272*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 273*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 274*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 275*      68.8  5.74       64.9  4.49          -     - C 1 2 1  helix_pd   
     1 276*      81.3  5.63          -     -          -     - C 1 2 1  helix_pd   
     1 277*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 278*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 279*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 280*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 281*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 282*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 283*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 284*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 285*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 286*      67.8  5.00          -     -          -     - C 1 2 1  helix_pd   
     1 287*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 288*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 289*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 290*      72.1  5.16       70.6  5.23       67.0  5.03 C 1 2 1  helix_pd   
     1 291*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 292*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 293*      56.0  4.60          -     -          -     - C 1 2 1  helix_pd   
   --- ---
     2   1       99.7  5.29       88.8  4.06       87.1  4.27 C 1 2 1  helix_pd   
     2   2       88.9  4.61       85.8  4.16       84.6  4.49 C 1 2 1  helix_pd   
     2   3       84.7  4.29       84.2  4.36       82.9  4.01 C 1 2 1  helix_pd   
     2   4       87.0  4.85       85.9  4.15       85.5  4.56 C 1 2 1  helix_pd   
     2   5       87.7  4.67       87.0  4.46       85.9  3.93 C 1 2 1  helix_pd   
     2   6       92.0  4.65       87.3  4.44       83.3  4.36 C 1 2 1  helix_pd   
     2   7       89.0  4.27       84.3  4.85       81.8  4.10 C 1 2 1  helix_pd   
     2   8       91.2  4.38       89.1  4.40       85.0  4.28 C 1 2 1  helix_pd   
     2   9       89.3  4.68       84.9  4.19       83.8  4.98 C 1 2 1  helix_pd   
     2  10       96.6  5.24       84.7  4.32       81.5  4.56 C 1 2 1  helix_pd   
     2  11       90.7  4.43       79.6  4.20       78.1  4.29 C 1 2 1  helix_pd   
     2  12       86.1  5.14       85.8  4.26       83.6  4.97 C 1 2 1  helix_pd   
     2  13       88.1  5.01       83.6  4.19       82.3  4.62 C 1 2 1  helix_pd   
     2  14       87.3  4.72       86.4  4.37       83.1  4.36 C 1 2 1  helix_pd   
     2  15       85.5  4.74          -     -          -     - C 1 2 1  helix_pd   
     2  16       83.1  4.26       83.0  4.07       82.1  4.15 C 1 2 1  helix_pd   
     2  17       84.9  4.83       83.5  4.59       76.5  4.27 C 1 2 1  helix_pd   
     2  18       77.6  4.39       72.8  4.43       71.8  4.46 C 1 2 1  helix_pd   
     2  19       95.1  5.11       86.3  4.79       84.4  4.95 C 1 2 1  helix_pd   
     2  20       89.2  4.30       80.9  4.31          -     - C 1 2 1  helix_pd   
     2  21       83.7  4.50       81.3  4.43       80.9  4.44 C 1 2 1  helix_pd   
     2  22       83.5  4.61       76.0  4.55          -     - C 1 2 1  helix_pd   
     2  23       85.2  4.51       83.4  4.06       83.0  4.96 C 1 2 1  helix_pd   
     2  24       88.9  4.27       86.1  4.27       83.1  4.36 C 1 2 1  helix_pd   
     2  25       86.3  4.51       80.5  5.28       79.1  4.42 C 1 2 1  helix_pd   
     2  26       89.1  4.82       83.5  4.55          -     - C 1 2 1  helix_pd   
     2  27       86.9  4.76       83.8  5.10          -     - C 1 2 1  helix_pd   
     2  28          -     -          -     -          -     - C 1 2 1  helix_pd   
     2  29       86.3  4.61       81.0  4.91       79.0  4.72 C 1 2 1  helix_pd   
     2  30       85.1  4.35       82.8  4.24       82.7  4.71 C 1 2 1  helix_pd   
     2  31          -     -          -     -          -     - C 1 2 1  helix_pd   
     2  32       99.7  5.70       84.9  5.05          -     - C 1 2 1  helix_pd   
     2  33      104.1  6.00       90.7  5.11       87.3  4.47 C 1 2 1  helix_pd   
     2  34       79.2  4.22       78.3  4.23       77.9  3.92 C 1 2 1  helix_pd   
     2  35       87.3  4.50       87.2  5.43       85.8  4.70 C 1 2 1  helix_pd   
     2  36       84.5  4.25       84.1  4.57       83.1  4.68 C 1 2 1  helix_pd   
     2  37       82.9  4.75       82.9  4.56       77.7  4.48 C 1 2 1  helix_pd   
     2  38       83.1  4.44       81.8  4.34       80.6  4.32 C 1 2 1  helix_pd   
     2  39       84.2  4.98          -     -          -     - C 1 2 1  helix_pd   
     2  40       83.6  4.47       78.5  4.45       76.2  4.35 C 1 2 1  helix_pd   
     2  41       86.3  4.70       85.1  4.63       76.9  4.41 C 1 2 1  helix_pd   
     2  42       81.6  4.83          -     -          -     - C 1 2 1  helix_pd   
     2  43       79.5  4.40       77.8  4.31       75.0  4.39 C 1 2 1  helix_pd   
     2  44       80.9  4.35       80.4  4.36       75.4  4.62 C 1 2 1  helix_pd   
     2  45       93.0  5.30       85.2  4.49       82.1  4.51 C 1 2 1  helix_pd   
     2  46       80.7  4.21       80.5  4.29       78.6  4.26 C 1 2 1  helix_pd   
     2  47       91.6  4.90          -     -          -     - C 1 2 1  helix_pd   
     2  48       81.0  4.56          -     -          -     - C 1 2 1  helix_pd   
     2  49       78.5  4.61       71.3  4.37       70.9  4.22 C 1 2 1  helix_pd   
     2  50          -     -          -     -          -     - C 1 2 1  helix_pd   
     2  51       93.5  5.06          -     -          -     - C 1 2 1  helix_pd   
     2  52       86.9  4.99          -     -          -     - C 1 2 1  helix_pd   
     2  53       91.6  5.48          -     -          -     - C 1 2 1  helix_pd   
     2  54       86.8  4.88       84.4  4.55       74.0  5.16 C 1 2 1  helix_pd   
     2  55       86.4  4.97          -     -          -     - C 1 2 1  helix_pd   
     2  56       89.2  4.96          -     -          -     - C 1 2 1  helix_pd   
     2  57       78.0  4.54       74.4  4.47       73.5  4.60 C 1 2 1  helix_pd   
     2  58       72.7  5.19          -     -          -     - C 1 2 1  helix_pd   
     2  59       98.8  5.58       87.0  4.84       85.0  5.01 C 1 2 1  helix_pd   
     2  60          -     -          -     -          -     - C 1 2 1  helix_pd   
     2  61       90.7  4.82          -     -          -     - C 1 2 1  helix_pd   
     2  62       77.5  4.87       74.0  4.15       73.3  4.60 C 1 2 1  helix_pd   
     2  63          -     -          -     -          -     - C 1 2 1  helix_pd   
     2  64      107.9  6.99          -     -          -     - C 1 2 1  helix_pd   
     2  65       88.3  4.90          -     -          -     - C 1 2 1  helix_pd   
     2  66          -     -          -     -          -     - C 1 2 1  helix_pd   
     2  67*      87.5  5.28       79.9  5.04          -     - C 1 2 1  helix_pd   
     2  68*      84.6  5.03          -     -          -     - C 1 2 1  helix_pd   
     2  69*      91.6  5.25          -     -          -     - C 1 2 1  helix_pd   
     2  70*      69.4  4.41       67.1  4.70          -     - C 1 2 1  helix_pd   
     2  71*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  72*      76.7  5.64       71.9  4.72          -     - C 1 2 1  helix_pd   
     2  73*      96.9  5.73          -     -          -     - C 1 2 1  helix_pd   
     2  74*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  75*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  76*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  77*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  78*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  79*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  80*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  81*      82.9  5.49       76.3  4.86       74.8  4.67 C 1 2 1  helix_pd   
     2  82*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  83*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  84*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  85*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  86*      70.8  4.88          -     -          -     - C 1 2 1  helix_pd   
     2  87*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  88*      92.7  5.29       79.7  5.02          -     - C 1 2 1  helix_pd   
     2  89*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  90*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  91*      74.2  4.72          -     -          -     - C 1 2 1  helix_pd   
     2  92*      76.4  4.84       76.1  5.08       71.7  4.42 C 1 2 1  helix_pd   
     2  93*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  94*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  95*      74.4  4.75       72.9  5.46       72.8  4.45 C 1 2 1  helix_pd   
     2  96*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  97*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  98*      76.2  5.24          -     -          -     - C 1 2 1  helix_pd   
     2  99*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 100*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 101*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 102*      74.0  4.89          -     -          -     - C 1 2 1  helix_pd   
     2 103*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 104*      90.5  5.43          -     -          -     - C 1 2 1  helix_pd   
     2 105*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 106*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 107*      92.2  5.56          -     -          -     - C 1 2 1  helix_pd   
     2 108*      73.6  4.85       73.0  4.90       72.0  4.59 C 1 2 1  helix_pd   
     2 109*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 110*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 111*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 112*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 113*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 114*      74.1  4.49       72.7  4.79       71.4  5.54 C 1 2 1  helix_pd   
     2 115*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 116*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 117*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 118*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 119*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 120*      70.1  4.77       69.0  4.72          -     - C 1 2 1  helix_pd   
     2 121*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 122*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 123*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 124*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 125*      86.1  5.23          -     -          -     - C 1 2 1  helix_pd   
     2 126*      95.6  6.18       84.4  5.32          -     - C 1 2 1  helix_pd   
     2 127*      92.2  5.41          -     -          -     - C 1 2 1  helix_pd   
     2 128*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 129*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 130*      74.0  4.59          -     -          -     - C 1 2 1  helix_pd   
     2 131*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 132*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 133*      74.8  4.68       73.4  4.62       71.7  4.69 C 1 2 1  helix_pd   
     2 134*      70.7  4.88          -     -          -     - C 1 2 1  helix_pd   
     2 135*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 136*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 137*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 138*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 139*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 140*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 141*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 142*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 143*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 144*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 145*      80.9  4.68          -     -          -     - C 1 2 1  helix_pd   
     2 146*      72.1  4.52       66.5  4.56          -     - C 1 2 1  helix_pd   
     2 147*      90.7  5.98          -     -          -     - C 1 2 1  helix_pd   
     2 148*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 149*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 150*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 151*      64.5  4.68          -     -          -     - C 1 2 1  helix_pd   
     2 152*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 153*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 154*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 155*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 156*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 157*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 158*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 159*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 160*      69.6  4.66       65.7  4.76          -     - C 1 2 1  helix_pd   
     2 161*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 162*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 163*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 164*      67.5  5.08          -     -          -     - C 1 2 1  helix_pd   
     2 165*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 166*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 167*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 168*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 169*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 170*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 171*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 172*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 173*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 174*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 175*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 176*      90.9  5.58          -     -          -     - C 1 2 1  helix_pd   
     2 177*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 178*      91.0  5.66          -     -          -     - C 1 2 1  helix_pd   
     2 179*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 180*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 181*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 182*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 183*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 184*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 185*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 186*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 187*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 188*      70.3  4.73       68.0  5.18          -     - C 1 2 1  helix_pd   
     2 189*      71.4  4.52       68.0  4.49       63.6  4.47 C 1 2 1  helix_pd   
     2 190*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 191*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 192*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 193*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 194*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 195*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 196*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 197*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 198*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 199*      71.9  4.98       67.8  5.04          -     - C 1 2 1  helix_pd   
     2 200*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 201*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 202*      78.4  4.71       69.9  4.74          -     - C 1 2 1  helix_pd   
     2 203*      74.7  5.55          -     -          -     - C 1 2 1  helix_pd   
     2 204*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 205*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 206*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 207*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 208*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 209*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 210*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 211*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 212*      75.6  4.43       70.7  4.26          -     - C 1 2 1  helix_pd   
     2 213*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 214*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 215*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 216*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 217*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 218*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 219*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 220*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 221*      74.8  5.42          -     -          -     - C 1 2 1  helix_pd   
     2 222*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 223*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 224*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 225*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 226*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 227*      71.4  4.83       67.6  4.92          -     - C 1 2 1  helix_pd   
     2 228*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 229*      72.5  5.31          -     -          -     - C 1 2 1  helix_pd   
     2 230*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 231*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 232*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 233*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 234*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 235*      71.8  5.23       66.1  4.92          -     - C 1 2 1  helix_pd   
     2 236*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 237*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 238*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 239*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 240*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 241*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 242*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 243*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 244*      62.6  5.27       61.6  4.57       57.8  5.15 C 1 2 1  helix_pd   
     2 245*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 246*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 247*      63.8  4.71          -     -          -     - C 1 2 1  helix_pd   
   --- ---
     3   1       88.7  4.47       86.5  4.36       85.0  3.92 C 1 2 1  helix_pd   
     3   2       88.8  5.19       87.9  4.32       86.3  4.40 C 1 2 1  helix_pd   
     3   3       86.9  4.65       83.4  4.70       82.5  3.84 C 1 2 1  helix_pd   
     3   4       87.1  4.40       84.2  4.00       81.8  3.96 C 1 2 1  helix_pd   
     3   5       84.4  4.60       83.3  4.08       81.8  4.04 C 1 2 1  helix_pd   
     3   6       83.3  4.83       82.3  4.48       81.0  4.61 C 1 2 1  helix_pd   
     3   7       89.2  4.79       87.8  5.53       83.4  4.13 C 1 2 1  helix_pd   
     3   8       81.2  4.03       79.4  4.02       79.0  4.43 C 1 2 1  helix_pd   
     3   9       88.0  4.55       84.8  4.79       84.6  4.03 C 1 2 1  helix_pd   
     3  10       82.2  4.46       81.3  4.14       81.2  4.87 C 1 2 1  helix_pd   
     3  11       86.5  5.27       86.4  4.55       82.5  4.20 C 1 2 1  helix_pd   
     3  12       82.7  4.21       82.5  4.37       82.3  4.81 C 1 2 1  helix_pd   
     3  13       81.7  4.19       81.4  4.46       81.1  4.41 C 1 2 1  helix_pd   
     3  14       87.4  4.41       84.4  5.42       82.3  4.87 C 1 2 1  helix_pd   
     3  15       87.0  4.65       86.1  5.18       85.7  4.77 C 1 2 1  helix_pd   
     3  16       80.7  4.41       80.5  4.75       80.2  4.44 C 1 2 1  helix_pd   
     3  17       82.3  5.00       82.0  4.73       81.7  4.69 C 1 2 1  helix_pd   
     3  18       81.9  4.31       79.6  4.21       79.5  4.21 C 1 2 1  helix_pd   
     3  19       82.5  4.83       81.2  4.28       81.0  4.22 C 1 2 1  helix_pd   
     3  20       89.8  5.11       88.4  5.17       83.2  4.46 C 1 2 1  helix_pd   
     3  21       88.7  4.69       84.2  4.79       84.2  5.08 C 1 2 1  helix_pd   
     3  22       82.8  4.53       80.0  4.55       79.0  4.82 C 1 2 1  helix_pd   
     3  23       85.9  4.63          -     -          -     - C 1 2 1  helix_pd   
     3  24       84.9  4.56       83.1  4.50       82.9  4.32 C 1 2 1  helix_pd   
     3  25       84.2  4.54       81.7  4.44       81.2  4.91 C 1 2 1  helix_pd   
     3  26       83.4  4.83       78.6  4.46       76.2  4.72 C 1 2 1  helix_pd   
     3  27       86.4  4.57       85.7  4.34       83.4  4.24 C 1 2 1  helix_pd   
     3  28       83.8  4.67       79.9  4.64       79.3  4.51 C 1 2 1  helix_pd   
     3  29       86.1  4.26       85.9  4.35       85.0  4.25 C 1 2 1  helix_pd   
     3  30       81.9  4.32       76.4  4.28       75.1  4.28 C 1 2 1  helix_pd   
     3  31       86.6  4.45       84.5  4.51       83.2  4.61 C 1 2 1  helix_pd   
     3  32       83.4  4.51       81.2  4.45       74.1  4.54 C 1 2 1  helix_pd   
     3  33          -     -          -     -          -     - C 1 2 1  helix_pd   
     3  34       79.0  4.40       77.1  4.38       74.9  4.55 C 1 2 1  helix_pd   
     3  35       85.8  4.36       82.1  4.49       80.4  4.52 C 1 2 1  helix_pd   
     3  36       84.3  4.57          -     -          -     - C 1 2 1  helix_pd   
     3  37       87.2  4.85       84.2  4.77       84.1  4.98 C 1 2 1  helix_pd   
     3  38       74.3  4.73          -     -          -     - C 1 2 1  helix_pd   
     3  39       86.8  5.33       84.8  4.74       78.6  4.55 C 1 2 1  helix_pd   
     3  40       83.1  4.79       82.3  4.86       80.1  5.29 C 1 2 1  helix_pd   
     3  41       81.7  5.13       80.2  4.21       77.6  4.49 C 1 2 1  helix_pd   
     3  42       86.4  5.00       81.0  4.39       81.0  4.40 C 1 2 1  helix_pd   
     3  43       85.3  4.88          -     -          -     - C 1 2 1  helix_pd   
     3  44       79.6  4.45       77.0  4.42       75.9  4.79 C 1 2 1  helix_pd   
     3  45       82.6  4.86       80.5  4.58       76.8  4.83 C 1 2 1  helix_pd   
     3  46       82.7  5.22          -     -          -     - C 1 2 1  helix_pd   
     3  47       80.8  4.99          -     -          -     - C 1 2 1  helix_pd   
     3  48       84.5  4.74       84.2  4.85       80.1  4.82 C 1 2 1  helix_pd   
     3  49       79.1  4.35       76.6  4.70       76.4  4.31 C 1 2 1  helix_pd   
     3  50       83.1  4.59       71.1  4.63          -     - C 1 2 1  helix_pd   
     3  51          -     -          -     -          -     - C 1 2 1  helix_pd   
     3  52       81.6  4.79       78.1  4.18       77.3  4.22 C 1 2 1  helix_pd   
     3  53       82.3  5.37          -     -          -     - C 1 2 1  helix_pd   
     3  54          -     -          -     -          -     - C 1 2 1  helix_pd   
     3  55       81.6  4.97          -     -          -     - C 1 2 1  helix_pd   
     3  56*      80.8  4.62          -     -          -     - C 1 2 1  helix_pd   
     3  57*      79.6  4.66          -     -          -     - C 1 2 1  helix_pd   
     3  58*      80.2  4.87       80.0  5.87       73.8  4.71 C 1 2 1  helix_pd   
     3  59*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  60*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  61*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  62*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  63*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  64*      76.4  4.88       71.1  5.20       70.3  5.23 C 1 2 1  helix_pd   
     3  65*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  66*      78.9  4.37       75.4  4.40       73.7  4.35 C 1 2 1  helix_pd   
     3  67*      79.6  4.37       79.3  4.78       79.0  4.40 C 1 2 1  helix_pd   
     3  68*      78.6  4.85       78.0  5.56       69.8  4.76 C 1 2 1  helix_pd   
     3  69*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  70*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  71*      82.9  5.31       81.1  4.78       78.4  5.02 C 1 2 1  helix_pd   
     3  72*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  73*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  74*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  75*      77.2  4.93       72.1  5.04          -     - C 1 2 1  helix_pd   
     3  76*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  77*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  78*      82.3  4.69       81.4  4.50       79.1  4.86 C 1 2 1  helix_pd   
     3  79*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  80*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  81*      83.7  5.02       80.9  4.50       79.4  4.57 C 1 2 1  helix_pd   
     3  82*      83.2  4.89          -     -          -     - C 1 2 1  helix_pd   
     3  83*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  84*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  85*      79.1  4.93       78.9  5.08       78.3  4.73 C 1 2 1  helix_pd   
     3  86*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  87*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  88*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  89*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  90*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  91*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  92*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  93*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  94*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  95*      71.2  4.59       71.0  4.54       68.7  4.83 C 1 2 1  helix_pd   
     3  96*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  97*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  98*      73.8  5.28          -     -          -     - C 1 2 1  helix_pd   
     3  99*      86.9  5.50       78.9  5.01          -     - C 1 2 1  helix_pd   
     3 100*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 101*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 102*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 103*      76.2  4.97       73.4  5.11          -     - C 1 2 1  helix_pd   
     3 104*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 105*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 106*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 107*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 108*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 109*      76.7  4.94          -     -          -     - C 1 2 1  helix_pd   
     3 110*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 111*      79.9  5.70       71.6  5.23          -     - C 1 2 1  helix_pd   
     3 112*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 113*      76.9  5.08          -     -          -     - C 1 2 1  helix_pd   
     3 114*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 115*      84.2  4.94       77.1  4.89       75.9  4.64 C 1 2 1  helix_pd   
     3 116*      81.9  5.21       71.9  4.96          -     - C 1 2 1  helix_pd   
     3 117*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 118*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 119*      75.4  4.57       72.3  4.60          -     - C 1 2 1  helix_pd   
     3 120*      86.4  5.36          -     -          -     - C 1 2 1  helix_pd   
     3 121*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 122*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 123*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 124*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 125*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 126*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 127*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 128*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 129*      76.5  5.05          -     -          -     - C 1 2 1  helix_pd   
     3 130*      74.4  4.84       72.1  4.75       70.4  4.99 C 1 2 1  helix_pd   
     3 131*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 132*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 133*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 134*      77.6  5.20       74.4  4.58       74.4  4.47 C 1 2 1  helix_pd   
     3 135*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 136*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 137*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 138*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 139*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 140*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 141*      77.2  5.34       74.4  4.58       74.0  4.59 C 1 2 1  helix_pd   
     3 142*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 143*      77.1  5.39       72.6  4.70       71.1  5.00 C 1 2 1  helix_pd   
     3 144*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 145*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 146*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 147*      74.4  4.71       69.2  4.95       67.6  4.63 C 1 2 1  helix_pd   
     3 148*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 149*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 150*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 151*      82.6  5.31       81.4  5.39       73.2  4.82 C 1 2 1  helix_pd   
     3 152*      78.8  5.99       71.0  4.64       70.8  4.76 C 1 2 1  helix_pd   
     3 153*      80.7  5.01       76.4  5.28          -     - C 1 2 1  helix_pd   
     3 154*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 155*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 156*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 157*      72.9  4.65       70.0  4.54       66.8  4.80 C 1 2 1  helix_pd   
     3 158*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 159*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 160*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 161*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 162*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 163*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 164*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 165*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 166*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 167*      74.5  5.40       74.3  5.30       72.5  5.01 C 1 2 1  helix_pd   
     3 168*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 169*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 170*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 171*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 172*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 173*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 174*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 175*      78.5  4.85          -     -          -     - C 1 2 1  helix_pd   
     3 176*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 177*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 178*      75.8  5.12       75.1  5.33       74.3  4.71 C 1 2 1  helix_pd   
     3 179*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 180*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 181*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 182*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 183*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 184*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 185*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 186*      78.9  5.26       77.0  5.01       76.3  5.10 C 1 2 1  helix_pd   
     3 187*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 188*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 189*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 190*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 191*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 192*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 193*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 194*      70.8  4.36       69.8  4.16       69.2  4.43 C 1 2 1  helix_pd   
     3 195*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 196*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 197*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 198*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 199*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 200*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 201*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 202*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 203*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 204*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 205*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 206*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 207*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 208*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 209*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 210*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 211*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 212*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 213*      67.7  4.73       64.7  4.55       64.4  4.32 C 1 2 1  helix_pd   
     3 214*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 215*      69.5  4.95       66.1  4.97          -     - C 1 2 1  helix_pd   
     3 216*         -     -          -     -          -     - C 1 2 1  helix_pd   
   --- ---
     4   1       89.7  4.23       88.9  5.22       84.4  4.05 C 1 2 1  helix_pd   
     4   2       86.6  4.19       81.6  4.10       81.5  4.25 C 1 2 1  helix_pd   
     4   3       81.6  4.11       80.9  4.25       80.7  4.20 C 1 2 1  helix_pd   
     4   4       93.5  5.64       87.0  4.70       86.1  4.14 C 1 2 1  helix_pd   
     4   5       86.7  4.53       84.4  4.57       83.4  4.72 C 1 2 1  helix_pd   
     4   6       87.2  4.47       87.1  4.21       86.3  4.68 C 1 2 1  helix_pd   
     4   7       89.0  4.22       87.0  4.46       84.9  3.90 C 1 2 1  helix_pd   
     4   8       90.9  4.79       86.4  4.72       83.1  4.56 C 1 2 1  helix_pd   
     4   9       85.4  4.64       84.9  4.10       82.5  4.06 C 1 2 1  helix_pd   
     4  10       90.3  4.85       84.5  4.32       79.0  4.39 C 1 2 1  helix_pd   
     4  11       84.1  4.88       80.3  4.40       77.7  4.65 C 1 2 1  helix_pd   
     4  12       82.1  4.13       79.8  4.01       78.2  4.01 C 1 2 1  helix_pd   
     4  13          -     -          -     -          -     - C 1 2 1  helix_pd   
     4  14       86.5  4.52       80.6  4.31       79.4  4.66 C 1 2 1  helix_pd   
     4  15       87.8  5.33       76.0  4.51          -     - C 1 2 1  helix_pd   
     4  16       80.7  5.26       78.3  5.10       78.3  4.73 C 1 2 1  helix_pd   
     4  17       78.8  4.42       72.8  4.49          -     - C 1 2 1  helix_pd   
     4  18       77.7  4.61       75.6  4.61          -     - C 1 2 1  helix_pd   
     4  19       83.1  4.51       82.0  4.28       79.0  4.35 C 1 2 1  helix_pd   
     4  20       79.4  4.23       73.5  4.65       69.5  4.38 C 1 2 1  helix_pd   
     4  21       82.7  4.29       82.4  4.37       78.7  3.94 C 1 2 1  helix_pd   
     4  22       80.7  4.28       76.8  4.33          -     - C 1 2 1  helix_pd   
     4  23       82.7  4.46       80.4  4.17       79.1  4.15 C 1 2 1  helix_pd   
     4  24       91.9  5.22          -     -          -     - C 1 2 1  helix_pd   
     4  25       82.1  4.55       76.9  4.36       73.6  4.32 C 1 2 1  helix_pd   
     4  26       81.7  5.19       79.1  5.08          -     - C 1 2 1  helix_pd   
     4  27       81.8  4.61          -     -          -     - C 1 2 1  helix_pd   
     4  28       86.3  4.49       85.0  5.03       78.9  4.37 C 1 2 1  helix_pd   
     4  29       86.3  4.93       85.3  4.76       81.0  4.57 C 1 2 1  helix_pd   
     4  30       85.7  5.09       84.7  4.57       79.7  4.60 C 1 2 1  helix_pd   
     4  31       82.8  4.36       81.2  4.72       80.0  4.40 C 1 2 1  helix_pd   
     4  32       83.9  4.69          -     -          -     - C 1 2 1  helix_pd   
     4  33       81.6  4.60       81.3  4.84       80.4  4.92 C 1 2 1  helix_pd   
     4  34          -     -          -     -          -     - C 1 2 1  helix_pd   
     4  35       84.3  4.42       84.2  4.81       83.3  5.12 C 1 2 1  helix_pd   
     4  36       82.2  4.62       79.0  4.55          -     - C 1 2 1  helix_pd   
     4  37       84.8  4.79       82.3  4.47       78.8  5.02 C 1 2 1  helix_pd   
     4  38          -     -          -     -          -     - C 1 2 1  helix_pd   
     4  39       84.9  5.14          -     -          -     - C 1 2 1  helix_pd   
     4  40       91.3  5.11          -     -          -     - C 1 2 1  helix_pd   
     4  41          -     -          -     -          -     - C 1 2 1  helix_pd   
     4  42       79.9  4.43          -     -          -     - C 1 2 1  helix_pd   
     4  43       78.6  4.38       78.0  4.39       77.8  4.39 C 1 2 1  helix_pd   
     4  44       78.6  4.10       75.9  4.26       74.1  4.30 C 1 2 1  helix_pd   
     4  45          -     -          -     -          -     - C 1 2 1  helix_pd   
     4  46       76.1  4.49          -     -          -     - C 1 2 1  helix_pd   
     4  47          -     -          -     -          -     - C 1 2 1  helix_pd   
     4  48          -     -          -     -          -     - C 1 2 1  helix_pd   
     4  49       85.8  5.02       84.4  4.81          -     - C 1 2 1  helix_pd   
     4  50       81.8  5.02          -     -          -     - C 1 2 1  helix_pd   
     4  51       77.9  4.27       77.5  4.35       75.6  4.26 C 1 2 1  helix_pd   
     4  52       82.1  4.85       79.2  4.85       76.2  4.74 C 1 2 1  helix_pd   
     4  53*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  54*      78.0  4.41       73.9  4.32       68.2  4.51 C 1 2 1  helix_pd   
     4  55*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  56*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  57*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  58*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  59*      79.6  4.60       69.6  5.02          -     - C 1 2 1  helix_pd   
     4  60*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  61*      91.7  5.72          -     -          -     - C 1 2 1  helix_pd   
     4  62*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  63*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  64*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  65*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  66*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  67*      69.6  4.54          -     -          -     - C 1 2 1  helix_pd   
     4  68*      81.6  4.51       72.0  4.45          -     - C 1 2 1  helix_pd   
     4  69*      86.3  4.84       83.3  5.11          -     - C 1 2 1  helix_pd   
     4  70*      76.2  5.51       74.4  5.06       70.4  4.98 C 1 2 1  helix_pd   
     4  71*      83.5  5.21          -     -          -     - C 1 2 1  helix_pd   
     4  72*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  73*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  74*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  75*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  76*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  77*      79.6  4.91          -     -          -     - C 1 2 1  helix_pd   
     4  78*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  79*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  80*      82.8  4.92          -     -          -     - C 1 2 1  helix_pd   
     4  81*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  82*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  83*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  84*      84.5  4.76       73.4  4.79          -     - C 1 2 1  helix_pd   
     4  85*      79.9  5.61       70.6  5.26          -     - C 1 2 1  helix_pd   
     4  86*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  87*      84.3  5.29          -     -          -     - C 1 2 1  helix_pd   
     4  88*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  89*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  90*      78.1  4.76       76.9  4.55          -     - C 1 2 1  helix_pd   
     4  91*      92.8  5.81          -     -          -     - C 1 2 1  helix_pd   
     4  92*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  93*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  94*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  95*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  96*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  97*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  98*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  99*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 100*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 101*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 102*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 103*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 104*      75.6  5.02       75.5  4.78       74.5  4.60 C 1 2 1  helix_pd   
     4 105*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 106*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 107*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 108*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 109*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 110*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 111*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 112*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 113*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 114*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 115*      75.5  4.89       74.7  4.77       71.0  4.69 C 1 2 1  helix_pd   
     4 116*      72.8  4.93          -     -          -     - C 1 2 1  helix_pd   
     4 117*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 118*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 119*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 120*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 121*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 122*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 123*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 124*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 125*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 126*      71.6  5.12          -     -          -     - C 1 2 1  helix_pd   
     4 127*      86.0  5.73          -     -          -     - C 1 2 1  helix_pd   
     4 128*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 129*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 130*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 131*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 132*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 133*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 134*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 135*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 136*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 137*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 138*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 139*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 140*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 141*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 142*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 143*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 144*      70.2  4.99          -     -          -     - C 1 2 1  helix_pd   
     4 145*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 146*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 147*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 148*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 149*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 150*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 151*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 152*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 153*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 154*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 155*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 156*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 157*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 158*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 159*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 160*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 161*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 162*      70.9  4.53       69.0  4.24       67.5  4.28 C 1 2 1  helix_pd   
     4 163*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 164*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 165*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 166*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 167*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 168*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 169*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 170*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 171*      74.4  4.77       69.2  4.63       68.8  4.88 C 1 2 1  helix_pd   
     4 172*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 173*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 174*      65.3  4.82          -     -          -     - C 1 2 1  helix_pd   
     4 175*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 176*      65.1  4.46          -     -          -     - C 1 2 1  helix_pd   
     4 177*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 178*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 179*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 180*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 181*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 182*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 183*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 184*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 185*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 186*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 187*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 188*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 189*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 190*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 191*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 192*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 193*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 194*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 195*         -     -          -     -          -     - C 1 2 1  helix_pd   
   --- ---
     5   1       88.4  4.07       84.8  3.97       83.6  4.00 C 1 2 1  helix_pd   
     5   2       83.4  4.01       82.0  4.30       81.3  3.86 C 1 2 1  helix_pd   
     5   3       89.0  4.57       78.7  4.33       78.2  4.06 C 1 2 1  helix_pd   
     5   4       86.1  4.22       80.4  4.45       79.1  4.26 C 1 2 1  helix_pd   
     5   5       84.1  4.42       82.5  5.02       81.7  4.53 C 1 2 1  helix_pd   
     5   6       87.8  4.84       84.0  4.25       81.7  4.06 C 1 2 1  helix_pd   
     5   7       79.6  4.64       78.5  4.72       75.4  4.27 C 1 2 1  helix_pd   
     5   8       86.0  4.55       82.8  4.21       78.6  4.74 C 1 2 1  helix_pd   
     5   9       87.5  4.60       86.9  4.28       84.9  4.58 C 1 2 1  helix_pd   
     5  10       87.7  4.67       75.0  4.45          -     - C 1 2 1  helix_pd   
     5  11       83.4  4.73       75.8  4.54          -     - C 1 2 1  helix_pd   
     5  12       84.6  5.19       81.8  4.15       77.1  4.21 C 1 2 1  helix_pd   
     5  13       85.0  4.41       83.8  4.22       82.4  4.33 C 1 2 1  helix_pd   
     5  14       85.5  4.48       82.4  4.49       80.0  4.70 C 1 2 1  helix_pd   
     5  15       84.1  4.57          -     -          -     - C 1 2 1  helix_pd   
     5  16       90.0  5.43       80.0  4.59       79.7  4.15 C 1 2 1  helix_pd   
     5  17       83.0  4.86       79.5  4.67       76.6  4.57 C 1 2 1  helix_pd   
     5  18       87.5  4.61       83.9  4.70       83.4  5.04 C 1 2 1  helix_pd   
     5  19       90.7  4.99       80.1  4.70       78.2  4.46 C 1 2 1  helix_pd   
     5  20       86.6  5.39       83.3  4.44       78.1  4.46 C 1 2 1  helix_pd   
     5  21       77.8  4.60          -     -          -     - C 1 2 1  helix_pd   
     5  22          -     -          -     -          -     - C 1 2 1  helix_pd   
     5  23       82.5  4.77       81.1  4.83       78.9  4.81 C 1 2 1  helix_pd   
     5  24       79.9  4.37       78.4  4.59       75.5  4.59 C 1 2 1  helix_pd   
     5  25          -     -          -     -          -     - C 1 2 1  helix_pd   
     5  26       78.0  4.60          -     -          -     - C 1 2 1  helix_pd   
     5  27       86.9  4.98          -     -          -     - C 1 2 1  helix_pd   
     5  28       76.4  4.65          -     -          -     - C 1 2 1  helix_pd   
     5  29       73.3  4.87          -     -          -     - C 1 2 1  helix_pd   
     5  30       81.1  4.79          -     -          -     - C 1 2 1  helix_pd   
     5  31       79.0  4.58       76.9  4.16       76.1  4.17 C 1 2 1  helix_pd   
     5  32       84.1  5.04       81.3  4.51       80.3  4.57 C 1 2 1  helix_pd   
     5  33       87.3  5.48       79.7  4.16       79.5  5.09 C 1 2 1  helix_pd   
     5  34       69.2  4.47          -     -          -     - C 1 2 1  helix_pd   
     5  35*      85.0  4.82       81.1  4.79       75.6  4.27 C 1 2 1  helix_pd   
     5  36*      86.0  4.93       82.6  4.70          -     - C 1 2 1  helix_pd   
     5  37*      80.1  4.56       76.9  4.43          -     - C 1 2 1  helix_pd   
     5  38*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  39*      82.2  4.93          -     -          -     - C 1 2 1  helix_pd   
     5  40*      83.9  5.16          -     -          -     - C 1 2 1  helix_pd   
     5  41*      83.8  4.95       82.7  5.26       76.7  4.68 C 1 2 1  helix_pd   
     5  42*      82.0  4.48       81.0  4.67       80.3  4.94 C 1 2 1  helix_pd   
     5  43*      84.8  5.05       74.9  4.78          -     - C 1 2 1  helix_pd   
     5  44*      82.3  5.03          -     -          -     - C 1 2 1  helix_pd   
     5  45*      88.8  5.41       79.9  4.72       79.1  4.90 C 1 2 1  helix_pd   
     5  46*      83.0  5.02          -     -          -     - C 1 2 1  helix_pd   
     5  47*      84.3  4.99       81.0  4.77       79.4  4.70 C 1 2 1  helix_pd   
     5  48*      80.7  4.48       80.0  4.81       76.3  4.85 C 1 2 1  helix_pd   
     5  49*      82.2  4.81       76.4  5.18       71.2  4.67 C 1 2 1  helix_pd   
     5  50*      84.2  4.90       84.0  5.28          -     - C 1 2 1  helix_pd   
     5  51*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  52*      77.2  4.83       77.2  4.66       73.7  4.85 C 1 2 1  helix_pd   
     5  53*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  54*      76.0  4.79       75.6  4.77          -     - C 1 2 1  helix_pd   
     5  55*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  56*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  57*      83.5  5.51       78.4  5.09          -     - C 1 2 1  helix_pd   
     5  58*      84.0  4.48       81.1  4.82       75.1  5.14 C 1 2 1  helix_pd   
     5  59*      80.0  5.11       78.7  4.87       76.9  4.75 C 1 2 1  helix_pd   
     5  60*      80.8  4.72          -     -          -     - C 1 2 1  helix_pd   
     5  61*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  62*      71.9  4.84          -     -          -     - C 1 2 1  helix_pd   
     5  63*      90.7  5.63          -     -          -     - C 1 2 1  helix_pd   
     5  64*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  65*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  66*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  67*      78.6  4.81          -     -          -     - C 1 2 1  helix_pd   
     5  68*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  69*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  70*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  71*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  72*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  73*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  74*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  75*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  76*      82.0  4.87          -     -          -     - C 1 2 1  helix_pd   
     5  77*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  78*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  79*      74.2  4.70       68.1  4.71          -     - C 1 2 1  helix_pd   
     5  80*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  81*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  82*      79.0  4.89          -     -          -     - C 1 2 1  helix_pd   
     5  83*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  84*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  85*      80.1  4.46       78.9  5.28       73.5  4.96 C 1 2 1  helix_pd   
     5  86*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  87*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  88*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  89*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  90*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  91*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  92*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  93*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  94*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  95*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  96*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  97*      79.5  5.38       76.5  4.98       73.1  4.75 C 1 2 1  helix_pd   
     5  98*      81.6  5.18          -     -          -     - C 1 2 1  helix_pd   
     5  99*      80.7  5.31       79.9  4.91          -     - C 1 2 1  helix_pd   
     5 100*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 101*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 102*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 103*      83.8  5.39          -     -          -     - C 1 2 1  helix_pd   
     5 104*      76.0  4.87          -     -          -     - C 1 2 1  helix_pd   
     5 105*      71.2  4.70       65.2  4.71          -     - C 1 2 1  helix_pd   
     5 106*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 107*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 108*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 109*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 110*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 111*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 112*      82.1  5.11          -     -          -     - C 1 2 1  helix_pd   
     5 113*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 114*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 115*      81.2  4.79          -     -          -     - C 1 2 1  helix_pd   
     5 116*      78.9  5.06          -     -          -     - C 1 2 1  helix_pd   
     5 117*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 118*      84.0  5.74          -     -          -     - C 1 2 1  helix_pd   
     5 119*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 120*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 121*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 122*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 123*      71.6  4.83          -     -          -     - C 1 2 1  helix_pd   
     5 124*      72.4  4.90       70.5  4.70          -     - C 1 2 1  helix_pd   
     5 125*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 126*      72.2  5.49       69.6  5.29          -     - C 1 2 1  helix_pd   
     5 127*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 128*      80.2  5.32          -     -          -     - C 1 2 1  helix_pd   
     5 129*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 130*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 131*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 132*      72.0  4.71          -     -          -     - C 1 2 1  helix_pd   
     5 133*      71.8  5.39       71.4  4.98       65.6  5.16 C 1 2 1  helix_pd   
     5 134*      72.2  4.78          -     -          -     - C 1 2 1  helix_pd   
     5 135*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 136*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 137*      79.9  4.86          -     -          -     - C 1 2 1  helix_pd   
     5 138*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 139*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 140*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 141*      70.8  4.94       69.0  5.08       66.8  5.04 C 1 2 1  helix_pd   
     5 142*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 143*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 144*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 145*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 146*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 147*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 148*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 149*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 150*      71.0  4.67       69.6  4.31          -     - C 1 2 1  helix_pd   
     5 151*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 152*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 153*      76.0  5.24       71.3  4.90          -     - C 1 2 1  helix_pd   
     5 154*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 155*      81.5  5.43          -     -          -     - C 1 2 1  helix_pd   
     5 156*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 157*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 158*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 159*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 160*      65.1  4.95       64.4  4.78          -     - C 1 2 1  helix_pd   
     5 161*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 162*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 163*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 164*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 165*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 166*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 167*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 168*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 169*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 170*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 171*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 172*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 173*         -     -          -     -          -     - C 1 2 1  helix_pd   
   --- ---
     6   1       82.0  4.55       80.4  4.23       78.9  4.10 C 1 2 1  helix_pd   
     6   2       81.4  4.47       79.4  4.08       79.1  4.30 C 1 2 1  helix_pd   
     6   3       81.6  4.58       79.2  4.53       79.1  4.97 C 1 2 1  helix_pd   
     6   4       84.0  4.51       78.7  4.24       76.5  4.84 C 1 2 1  helix_pd   
     6   5       81.5  4.29       80.4  4.42       79.3  4.63 C 1 2 1  helix_pd   
     6   6       86.4  4.49       82.2  4.81       81.7  4.13 C 1 2 1  helix_pd   
     6   7       82.3  4.39       71.2  4.53       71.2  4.51 C 1 2 1  helix_pd   
     6   8       77.2  4.44       76.4  5.28       76.3  4.50 C 1 2 1  helix_pd   
     6   9       83.4  4.91       82.5  4.49       81.6  4.93 C 1 2 1  helix_pd   
     6  10       80.0  4.17       79.8  4.34       78.1  4.75 C 1 2 1  helix_pd   
     6  11       90.3  5.28       83.1  5.16          -     - C 1 2 1  helix_pd   
     6  12       84.9  4.92       80.4  4.32       78.5  4.32 C 1 2 1  helix_pd   
     6  13       79.3  4.71       76.1  4.77          -     - C 1 2 1  helix_pd   
     6  14       84.9  5.73       81.9  4.90       81.3  5.02 C 1 2 1  helix_pd   
     6  15       81.3  5.00       79.7  4.58       78.4  4.28 C 1 2 1  helix_pd   
     6  16       74.5  4.57       74.4  5.06       73.0  4.74 C 1 2 1  helix_pd   
     6  17       83.6  4.71       76.2  5.20       75.9  4.75 C 1 2 1  helix_pd   
     6  18       75.7  4.34       75.2  4.40       75.1  4.42 C 1 2 1  helix_pd   
     6  19       88.8  4.94       76.6  4.65          -     - C 1 2 1  helix_pd   
     6  20       80.1  5.03          -     -          -     - C 1 2 1  helix_pd   
     6  21       84.3  4.61       83.6  5.27       80.7  4.87 C 1 2 1  helix_pd   
     6  22       80.6  4.87       79.0  4.80          -     - C 1 2 1  helix_pd   
     6  23*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  24*      80.3  4.89          -     -          -     - C 1 2 1  helix_pd   
     6  25*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  26*      78.6  5.40       76.1  5.20       75.3  4.90 C 1 2 1  helix_pd   
     6  27*      82.3  5.32       80.3  4.85          -     - C 1 2 1  helix_pd   
     6  28*      80.2  4.99       78.3  4.55          -     - C 1 2 1  helix_pd   
     6  29*      75.1  4.92          -     -          -     - C 1 2 1  helix_pd   
     6  30*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  31*      80.6  5.25          -     -          -     - C 1 2 1  helix_pd   
     6  32*      76.6  4.94       75.8  4.78          -     - C 1 2 1  helix_pd   
     6  33*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  34*      80.8  4.62          -     -          -     - C 1 2 1  helix_pd   
     6  35*      79.6  4.91          -     -          -     - C 1 2 1  helix_pd   
     6  36*      78.1  5.29       76.4  4.66       75.0  5.17 C 1 2 1  helix_pd   
     6  37*      81.5  4.35       80.6  5.50       79.5  4.73 C 1 2 1  helix_pd   
     6  38*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  39*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  40*      79.9  4.80       79.8  5.06       79.8  4.69 C 1 2 1  helix_pd   
     6  41*      80.6  5.31       79.6  5.05       79.2  5.24 C 1 2 1  helix_pd   
     6  42*      80.8  4.93       78.2  5.14       72.7  4.68 C 1 2 1  helix_pd   
     6  43*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  44*      85.3  5.36       80.2  4.84          -     - C 1 2 1  helix_pd   
     6  45*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  46*      77.2  4.46       75.3  4.42       74.8  4.46 C 1 2 1  helix_pd   
     6  47*      88.6  5.33       78.7  4.66       76.7  4.96 C 1 2 1  helix_pd   
     6  48*      82.4  5.47          -     -          -     - C 1 2 1  helix_pd   
     6  49*      78.4  4.47       77.5  5.52       76.0  4.71 C 1 2 1  helix_pd   
     6  50*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  51*      81.1  4.76       74.5  4.90       74.3  4.66 C 1 2 1  helix_pd   
     6  52*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  53*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  54*      78.2  4.90       74.2  4.53       70.4  4.56 C 1 2 1  helix_pd   
     6  55*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  56*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  57*      82.4  5.38          -     -          -     - C 1 2 1  helix_pd   
     6  58*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  59*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  60*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  61*      77.9  4.76       74.8  5.03       72.1  4.70 C 1 2 1  helix_pd   
     6  62*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  63*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  64*      80.4  4.90       75.0  4.74       74.5  4.52 C 1 2 1  helix_pd   
     6  65*      67.9  4.99          -     -          -     - C 1 2 1  helix_pd   
     6  66*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  67*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  68*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  69*      81.1  4.66       73.6  4.73       73.5  4.73 C 1 2 1  helix_pd   
     6  70*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  71*      76.7  5.01       76.6  4.92       74.5  5.71 C 1 2 1  helix_pd   
     6  72*      73.0  5.08       70.9  5.20          -     - C 1 2 1  helix_pd   
     6  73*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  74*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  75*      68.6  4.91          -     -          -     - C 1 2 1  helix_pd   
     6  76*      77.5  5.33          -     -          -     - C 1 2 1  helix_pd   
     6  77*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  78*      78.0  5.20          -     -          -     - C 1 2 1  helix_pd   
     6  79*      77.1  4.98          -     -          -     - C 1 2 1  helix_pd   
     6  80*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  81*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  82*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  83*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  84*      74.3  4.93       72.5  4.95          -     - C 1 2 1  helix_pd   
     6  85*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  86*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  87*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  88*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  89*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  90*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  91*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  92*      72.5  5.56          -     -          -     - C 1 2 1  helix_pd   
     6  93*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  94*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  95*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  96*      74.0  5.46       69.1  5.04          -     - C 1 2 1  helix_pd   
     6  97*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  98*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  99*      85.4  5.13          -     -          -     - C 1 2 1  helix_pd   
     6 100*      80.6  5.10       75.1  5.53       71.6  4.91 C 1 2 1  helix_pd   
     6 101*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 102*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 103*      73.8  5.12       72.8  4.93       72.4  4.91 C 1 2 1  helix_pd   
     6 104*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 105*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 106*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 107*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 108*      70.3  4.77          -     -          -     - C 1 2 1  helix_pd   
     6 109*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 110*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 111*      74.4  4.85          -     -          -     - C 1 2 1  helix_pd   
     6 112*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 113*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 114*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 115*      71.0  5.42       69.6  5.27       69.5  4.94 C 1 2 1  helix_pd   
     6 116*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 117*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 118*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 119*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 120*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 121*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 122*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 123*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 124*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 125*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 126*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 127*      73.1  4.93       71.2  5.04       69.0  4.64 C 1 2 1  helix_pd   
     6 128*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 129*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 130*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 131*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 132*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 133*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 134*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 135*      78.6  4.94       77.9  5.81       73.3  5.41 C 1 2 1  helix_pd   
     6 136*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 137*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 138*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 139*      69.2  5.71       68.3  4.34       66.7  4.35 C 1 2 1  helix_pd   
     6 140*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 141*      78.6  4.87       77.4  4.90          -     - C 1 2 1  helix_pd   
     6 142*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 143*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 144*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 145*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 146*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 147*         -     -          -     -          -     - C 1 2 1  helix_pd   
   --- ---
     7   1       85.3  5.26       84.9  4.32       84.2  4.78 C 1 2 1  helix_pd   
     7   2       85.4  4.90       82.5  4.13       82.5  4.36 C 1 2 1  helix_pd   
     7   3       86.1  4.05       84.7  4.93       84.3  4.48 C 1 2 1  helix_pd   
     7   4       85.6  3.99       82.6  4.27       82.3  4.02 C 1 2 1  helix_pd   
     7   5       82.3  4.58       75.3  4.52       74.3  4.44 C 1 2 1  helix_pd   
     7   6       90.8  4.19       82.9  4.23       82.8  4.42 C 1 2 1  helix_pd   
     7   7       81.7  5.00       81.1  4.80       81.0  4.32 C 1 2 1  helix_pd   
     7   8       85.0  4.44       83.2  5.06       79.7  4.72 C 1 2 1  helix_pd   
     7   9       80.9  4.13       80.9  5.19       77.9  4.16 C 1 2 1  helix_pd   
     7  10       82.8  4.73       82.4  5.33       77.1  5.00 C 1 2 1  helix_pd   
     7  11       82.0  4.24       81.5  4.85       81.1  4.32 C 1 2 1  helix_pd   
     7  12       88.5  4.46       88.0  4.27       84.5  4.42 C 1 2 1  helix_pd   
     7  13       87.4  5.74       86.9  4.76       82.5  4.27 C 1 2 1  helix_pd   
     7  14       86.5  5.94       85.4  4.72       79.4  4.38 C 1 2 1  helix_pd   
     7  15       86.4  4.73       83.6  4.93       81.3  4.65 C 1 2 1  helix_pd   
     7  16       82.8  4.72       82.2  5.14       80.9  5.17 C 1 2 1  helix_pd   
     7  17       87.3  4.89          -     -          -     - C 1 2 1  helix_pd   
     7  18       82.0  4.79       79.6  5.37       79.2  4.67 C 1 2 1  helix_pd   
     7  19       80.9  4.43       75.9  4.48       75.7  4.38 C 1 2 1  helix_pd   
     7  20       80.0  5.08       79.5  5.25       78.3  4.66 C 1 2 1  helix_pd   
     7  21       86.3  5.39       82.4  5.15       78.8  4.56 C 1 2 1  helix_pd   
     7  22       83.3  4.88          -     -          -     - C 1 2 1  helix_pd   
     7  23          -     -          -     -          -     - C 1 2 1  helix_pd   
     7  24       82.2  4.71       77.8  4.40       76.5  4.83 C 1 2 1  helix_pd   
     7  25       87.2  4.83       83.6  5.07       81.4  5.46 C 1 2 1  helix_pd   
     7  26       82.9  4.51       78.9  4.52          -     - C 1 2 1  helix_pd   
     7  27       79.6  4.97       76.6  4.79          -     - C 1 2 1  helix_pd   
     7  28       74.3  4.86       74.1  5.04          -     - C 1 2 1  helix_pd   
     7  29       79.3  4.75       76.2  4.81          -     - C 1 2 1  helix_pd   
     7  30       83.2  4.69       72.8  4.94       72.6  4.41 C 1 2 1  helix_pd   
     7  31       82.0  4.78          -     -          -     - C 1 2 1  helix_pd   
     7  32*      77.3  4.82          -     -          -     - C 1 2 1  helix_pd   
     7  33*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  34*      79.3  4.76          -     -          -     - C 1 2 1  helix_pd   
     7  35*      83.7  4.59       83.5  4.82       83.1  4.58 C 1 2 1  helix_pd   
     7  36*      85.6  5.70       81.0  4.58       80.8  4.87 C 1 2 1  helix_pd   
     7  37*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  38*      85.7  5.17          -     -          -     - C 1 2 1  helix_pd   
     7  39*      71.3  4.84          -     -          -     - C 1 2 1  helix_pd   
     7  40*      79.5  4.60          -     -          -     - C 1 2 1  helix_pd   
     7  41*      83.9  5.09       76.8  4.85       76.2  4.37 C 1 2 1  helix_pd   
     7  42*      75.0  4.93          -     -          -     - C 1 2 1  helix_pd   
     7  43*      87.4  4.60       77.0  5.08          -     - C 1 2 1  helix_pd   
     7  44*      80.3  5.34          -     -          -     - C 1 2 1  helix_pd   
     7  45*      80.8  4.81          -     -          -     - C 1 2 1  helix_pd   
     7  46*      80.9  5.02       78.3  4.92       75.6  5.07 C 1 2 1  helix_pd   
     7  47*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  48*      82.8  5.09          -     -          -     - C 1 2 1  helix_pd   
     7  49*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  50*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  51*      80.3  4.68       75.3  4.48       75.2  4.55 C 1 2 1  helix_pd   
     7  52*      76.2  4.86       76.0  5.02       73.2  4.80 C 1 2 1  helix_pd   
     7  53*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  54*      85.4  4.86       78.0  4.44       75.9  4.76 C 1 2 1  helix_pd   
     7  55*      82.1  4.77       81.0  4.72       79.2  5.14 C 1 2 1  helix_pd   
     7  56*      80.2  4.93          -     -          -     - C 1 2 1  helix_pd   
     7  57*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  58*      77.8  5.42       75.5  4.87       68.1  5.12 C 1 2 1  helix_pd   
     7  59*      68.2  4.92          -     -          -     - C 1 2 1  helix_pd   
     7  60*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  61*      78.6  4.73       77.3  5.17       72.6  4.64 C 1 2 1  helix_pd   
     7  62*      77.7  4.57       73.6  4.57       73.5  4.55 C 1 2 1  helix_pd   
     7  63*      80.8  5.54       80.1  4.67       73.7  4.70 C 1 2 1  helix_pd   
     7  64*      81.7  6.00       75.4  5.31       74.9  5.89 C 1 2 1  helix_pd   
     7  65*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  66*      81.6  5.11       79.1  5.03       74.5  5.08 C 1 2 1  helix_pd   
     7  67*      85.8  5.46          -     -          -     - C 1 2 1  helix_pd   
     7  68*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  69*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  70*      80.3  4.96       72.0  4.62       71.2  4.58 C 1 2 1  helix_pd   
     7  71*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  72*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  73*      77.5  4.72       77.4  5.12          -     - C 1 2 1  helix_pd   
     7  74*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  75*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  76*      85.3  5.02          -     -          -     - C 1 2 1  helix_pd   
     7  77*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  78*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  79*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  80*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  81*      76.9  5.10       73.9  4.93       71.0  4.84 C 1 2 1  helix_pd   
     7  82*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  83*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  84*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  85*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  86*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  87*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  88*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  89*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  90*      77.0  5.09       73.1  4.95       70.8  5.29 C 1 2 1  helix_pd   
     7  91*      77.9  5.41       76.9  5.57       73.2  4.73 C 1 2 1  helix_pd   
     7  92*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  93*      77.1  5.97       76.8  5.33       73.9  4.69 C 1 2 1  helix_pd   
     7  94*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  95*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  96*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  97*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  98*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  99*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 100*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 101*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 102*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 103*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 104*      80.9  5.90          -     -          -     - C 1 2 1  helix_pd   
     7 105*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 106*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 107*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 108*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 109*      81.1  5.66       71.2  5.02       70.7  4.89 C 1 2 1  helix_pd   
     7 110*      74.1  5.05          -     -          -     - C 1 2 1  helix_pd   
     7 111*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 112*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 113*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 114*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 115*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 116*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 117*      72.4  4.77       70.0  4.88       68.5  4.75 C 1 2 1  helix_pd   
     7 118*      69.3  5.06       68.6  4.84          -     - C 1 2 1  helix_pd   
     7 119*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 120*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 121*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 122*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 123*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 124*      68.5  5.17          -     -          -     - C 1 2 1  helix_pd   
     7 125*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 126*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 127*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 128*      80.9  5.31       72.5  4.84       70.6  4.78 C 1 2 1  helix_pd   
     7 129*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 130*      65.9  4.66       65.9  4.61       65.2  4.97 C 1 2 1  helix_pd   
     7 131*      73.6  5.28       73.3  4.93          -     - C 1 2 1  helix_pd   
     7 132*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 133*      80.1  6.11       75.4  5.36       74.5  5.36 C 1 2 1  helix_pd   
     7 134*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 135*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 136*      71.5  4.96       66.2  4.75          -     - C 1 2 1  helix_pd   
     7 137*      77.6  5.00       77.0  4.93          -     - C 1 2 1  helix_pd   
     7 138*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 139*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 140*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 141*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 142*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 143*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 144*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 145*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 146*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 147*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 148*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 149*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 150*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 151*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 152*      69.0  4.30       68.3  4.52       64.5  4.73 C 1 2 1  helix_pd   
     7 153*         -     -          -     -          -     - C 1 2 1  helix_pd   
   --- ---
     8   1       87.1  5.02       85.0  4.49       83.6  4.40 C 1 2 1  helix_pd   
     8   2       82.5  4.21       79.5  4.23       79.1  4.06 C 1 2 1  helix_pd   
     8   3       80.8  4.25       79.5  4.41       77.9  4.54 C 1 2 1  helix_pd   
     8   4       81.1  4.84       75.2  4.37          -     - C 1 2 1  helix_pd   
     8   5       85.8  5.15       77.8  5.12       75.4  4.39 C 1 2 1  helix_pd   
     8   6       85.6  4.82       81.5  4.81       78.1  4.64 C 1 2 1  helix_pd   
     8   7*      80.9  4.49       78.9  4.95       77.5  4.58 C 1 2 1  helix_pd   
     8   8*      83.9  5.13          -     -          -     - C 1 2 1  helix_pd   
     8   9*      83.0  4.55       80.6  4.33       80.4  4.23 C 1 2 1  helix_pd   
     8  10*      79.9  5.06       79.6  4.88       75.9  4.26 C 1 2 1  helix_pd   
     8  11*      83.2  4.79       78.2  4.56       77.7  4.32 C 1 2 1  helix_pd   
     8  12*      81.2  4.53       77.3  4.63       76.5  4.27 C 1 2 1  helix_pd   
     8  13*      86.1  5.55       80.1  4.99          -     - C 1 2 1  helix_pd   
     8  14*      72.7  4.64       71.8  4.52       70.7  4.49 C 1 2 1  helix_pd   
     8  15*      80.7  4.63       76.6  5.09          -     - C 1 2 1  helix_pd   
     8  16*      82.8  4.75       76.3  4.80       74.3  4.68 C 1 2 1  helix_pd   
     8  17*      71.1  4.45          -     -          -     - C 1 2 1  helix_pd   
     8  18*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  19*      80.4  4.84          -     -          -     - C 1 2 1  helix_pd   
     8  20*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  21*      82.3  5.33       78.4  4.77          -     - C 1 2 1  helix_pd   
     8  22*      86.0  4.69       79.7  4.89          -     - C 1 2 1  helix_pd   
     8  23*      80.7  4.65       76.2  4.73          -     - C 1 2 1  helix_pd   
     8  24*      80.2  4.65       77.7  4.67          -     - C 1 2 1  helix_pd   
     8  25*      78.0  4.51          -     -          -     - C 1 2 1  helix_pd   
     8  26*      81.0  4.81          -     -          -     - C 1 2 1  helix_pd   
     8  27*      84.2  5.42       84.0  4.68       79.1  4.91 C 1 2 1  helix_pd   
     8  28*      80.6  4.55       79.1  4.25       78.8  4.49 C 1 2 1  helix_pd   
     8  29*      79.5  4.49       75.3  4.68          -     - C 1 2 1  helix_pd   
     8  30*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  31*      80.2  4.90       76.0  4.41       76.0  5.03 C 1 2 1  helix_pd   
     8  32*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  33*      88.2  5.06          -     -          -     - C 1 2 1  helix_pd   
     8  34*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  35*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  36*      80.1  4.68       74.1  4.55       72.1  4.73 C 1 2 1  helix_pd   
     8  37*      82.0  5.69       71.4  4.63          -     - C 1 2 1  helix_pd   
     8  38*      81.4  5.32       80.6  5.13       73.9  4.68 C 1 2 1  helix_pd   
     8  39*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  40*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  41*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  42*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  43*      78.1  5.13       77.2  4.80       70.4  4.77 C 1 2 1  helix_pd   
     8  44*      79.0  4.92       77.9  4.72          -     - C 1 2 1  helix_pd   
     8  45*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  46*      76.3  4.81       73.9  4.85       68.0  4.85 C 1 2 1  helix_pd   
     8  47*      72.3  4.89       72.3  5.24       65.3  4.64 C 1 2 1  helix_pd   
     8  48*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  49*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  50*      86.6  5.44          -     -          -     - C 1 2 1  helix_pd   
     8  51*      69.6  4.51          -     -          -     - C 1 2 1  helix_pd   
     8  52*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  53*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  54*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  55*      79.7  5.32          -     -          -     - C 1 2 1  helix_pd   
     8  56*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  57*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  58*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  59*      75.3  5.04          -     -          -     - C 1 2 1  helix_pd   
     8  60*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  61*      85.1  5.49       76.6  4.86          -     - C 1 2 1  helix_pd   
     8  62*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  63*      80.7  5.29       78.5  5.31       75.8  4.82 C 1 2 1  helix_pd   
     8  64*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  65*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  66*      77.5  5.06       76.7  5.47       74.5  5.14 C 1 2 1  helix_pd   
     8  67*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  68*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  69*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  70*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  71*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  72*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  73*      72.3  4.81          -     -          -     - C 1 2 1  helix_pd   
     8  74*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  75*      84.7  4.83          -     -          -     - C 1 2 1  helix_pd   
     8  76*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  77*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  78*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  79*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  80*      77.8  5.93       75.6  5.13       70.5  5.26 C 1 2 1  helix_pd   
     8  81*      81.8  5.46          -     -          -     - C 1 2 1  helix_pd   
     8  82*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  83*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  84*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  85*         -     -          -     -          -     - C 1 2 1  helix_pd   
   --- ---

---------------
FINAL SELECTION
---------------

   LLG will be used for purge, not FSS
   Top TF  = 107.94
   Top TFZ = 6.99
   Mean TF = 35.46
   Percent used for purge = 75%
   Cutoff for acceptance = 89.8
      TFZ used for final selection = 8
         Number of solutions over TF final cutoff  = 90
         Number of solutions over TFZ final cutoff = 0
         Number of solutions over TF & TFZ cutoff  = 0
   Number of solutions stored before final selection = 3389
   Number of solutions stored (deleted) after final selection = 90 (3299)

------------
OUTPUT FILES
------------

   No files output

CPU Time: 0 days 0 hrs 6 mins 17.52 secs (    377.52 secs)
Finished: Thu Sep 30 04:34:15 2021

******************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT PACKING ANALYSIS                        2.8.3 ***
******************************************************************************************

---------
ENSEMBLES
---------

   Trace Generation
   ----------------
   Ensemble        Trace-type  Length      Sampling Close-contact
   helix_pdb       all-atom       130          1.50          1.00

-----------------
ENSEMBLE SYMMETRY
-----------------

   Ensemble "helix_pdb" Point Group: 1

   Clash background has been packed at 10.00%

----------------
PACKING FUNCTION
----------------

   There are 90 solutions to pack
   Spreading calculation onto 23 threads.
   Packing analysis
   0%   100%
   |=====| DONE

   Packing Table
   -------------
   Solutions accepted if pairwise clashes less than 10 % of trace atoms
   #in  #out Clash-% Symm TF-SET  ROT TFpk#        TF    TFZ    SpaceGroup 
   1    Top1  0      --       2    64    1        107.94  6.99  C 1 2 1    
   2    2     0      --       1    75    1        104.26  6.61  C 1 2 1    
   3    3     0      --       2    33    1        104.06  6.00  C 1 2 1    
   4    4     0.769  --       1    50    1        101.97  5.42  C 1 2 1    
   5    5     3.077  --       1    37    1        101.28  6.16  C 1 2 1    
   6    6     0      --       2     1    1         99.70  5.29  C 1 2 1    
   7    7     0      --       2    32    1         99.67  5.70  C 1 2 1    
   8    8     0.769  --       2    59    1         98.81  5.58  C 1 2 1    
   9    9     0      --       1   194    1         98.57  6.74  C 1 2 1    
   10   10    1.538  --       1    41    1         98.48  5.22  C 1 2 1    
   11   11    0.769  --       1     6    1         97.91  4.96  C 1 2 1    
   12   12    0      --       1     7    1         97.73  4.60  C 1 2 1    
   13   13    0      --       1    23    1         97.44  4.57  C 1 2 1    
   14   14    0      --       2    73    1         96.92  5.73  C 1 2 1    
   15   15    0      --       1     9    1         96.83  5.16  C 1 2 1    
   16   16    0      --       2    10    1         96.61  5.24  C 1 2 1    
   17   17    0      --       1    57    1         96.33  5.83  C 1 2 1    
   18   18    0      --       2   126    1         95.57  6.18  C 1 2 1    
   19   19    0      --       2    19    1         95.07  5.11  C 1 2 1    
   20   20    0      --       1    18    1         94.50  4.59  C 1 2 1    
   21   21    0      --       1    20    1         94.34  5.28  C 1 2 1    
   22   22    0      --       1    11    1         94.15  4.53  C 1 2 1    
   23   23    0      --       1    83    1         93.63  5.58  C 1 2 1    
   24   24    0      --       4     4    1         93.55  5.64  C 1 2 1    
   25   25    0.769  --       1    35    1         93.53  5.13  C 1 2 1    
   26   26    0      --       2    51    1         93.51  5.06  C 1 2 1    
   27   27    0      --       1     2    1         93.45  4.51  C 1 2 1    
   28   28    0      --       1    15    1         93.31  4.70  C 1 2 1    
   29   29    0      --       2    45    1         93.01  5.30  C 1 2 1    
   30   30    0      --       1    26    1         92.88  4.46  C 1 2 1    
   31   31    0      --       4    91    1         92.79  5.81  C 1 2 1    
   32   32    0      --       2    88    1         92.70  5.29  C 1 2 1    
   33   33    0      --       1    71    1         92.57  5.06  C 1 2 1    
   34   34    0      --       2   127    1         92.24  5.41  C 1 2 1    
   35   35    0      --       2   107    1         92.22  5.56  C 1 2 1    
   36   36    0      --       2     6    1         92.04  4.65  C 1 2 1    
   37   37    0      --       1    19    1         91.91  4.86  C 1 2 1    
   38   38    0      --       1   104    1         91.89  5.51  C 1 2 1    
   39   39    0      --       4    24    1         91.87  5.22  C 1 2 1    
   40   40    0      --       1    11    2         91.85  5.26  C 1 2 1    
   41   41    0      --       1    49    1         91.79  4.83  C 1 2 1    
   42   42    0      --       1    22    1         91.75  4.53  C 1 2 1    
   43   43    0      --       4    61    1         91.67  5.72  C 1 2 1    
   44   44    0.769  --       2    47    1         91.64  4.90  C 1 2 1    
   45   45    0      --       2    53    1         91.62  5.48  C 1 2 1    
   46   46    0      --       2    69    1         91.60  5.25  C 1 2 1    
   47   47    0      --       1    51    1         91.51  4.76  C 1 2 1    
   48   48    1.538  --       1     8    1         91.50  5.16  C 1 2 1    
   49   ---  >10.77  --       1     9    2         91.49  5.11  C 1 2 1    
   50   49    0      --       1   124    1         91.45  5.92  C 1 2 1    
   51   50    0      --       1    11    3         91.35  4.34  C 1 2 1    
   52   51    0      --       1     8    2         91.28  5.33  C 1 2 1    
   53   52    0      --       4    40    1         91.27  5.11  C 1 2 1    
   54   53    0      --       2     8    1         91.25  4.38  C 1 2 1    
   55   ---  >10.77  --       1   207    1         91.18  5.98  C 1 2 1    
   56   54    0      --       1   206    1         91.06  5.74  C 1 2 1    
   57   55    0      --       2   178    1         91.05  5.66  C 1 2 1    
   58   56    0      --       1    12    1         91.03  4.06  C 1 2 1    
   59   57    0      --       2   176    1         90.93  5.58  C 1 2 1    
   60   ---  >10.77  --       4     8    1         90.91  4.79  C 1 2 1    
   61   58    0.769  --       1     8    3         90.88  4.46  C 1 2 1    
   62   ---  >10.77  --       7     6    1         90.84  4.19  C 1 2 1    
   63   59    0      --       2    33    2         90.75  5.11  C 1 2 1    
   64   60    0      --       2   147    1         90.73  5.98  C 1 2 1    
   65   ---  >10.77  --       5    19    1         90.71  4.99  C 1 2 1    
   66   61    0.769  --       1    16    1         90.68  4.84  C 1 2 1    
   67   62    0      --       2    11    1         90.68  4.43  C 1 2 1    
   68   ---  >10.77  --       5    63    1         90.67  5.63  C 1 2 1    
   69   63    0      --       2    61    1         90.66  4.82  C 1 2 1    
   70   64    0      --       1    43    1         90.57  5.15  C 1 2 1    
   71   65    0      --       1    22    2         90.53  4.65  C 1 2 1    
   72   66    0      --       2   104    1         90.53  5.43  C 1 2 1    
   73   67    0      --       1     3    1         90.46  3.83  C 1 2 1    
   74   68    0      --       1    31    1         90.37  4.79  C 1 2 1    
   75   69    0      --       1   123    1         90.35  4.91  C 1 2 1    
   76   ---  >10.77  --       6    11    1         90.35  5.28  C 1 2 1    
   77   ---  >10.77  --       4    10    1         90.30  4.85  C 1 2 1    
   78   70    0.769  --       1   159    1         90.14  5.46  C 1 2 1    
   79   71    0      --       1    52    1         90.07  4.46  C 1 2 1    
   80   ---  >10.77  --       5    16    1         90.05  5.43  C 1 2 1    
   81   72    0      --       1   130    1         90.05  5.31  C 1 2 1    
   82   73    0.769  --       1   246    1         90.02  4.98  C 1 2 1    
   83   74    0      --       1    42    1         89.96  5.08  C 1 2 1    
   84   ---  >10.77  --       1     4    1         89.96  4.84  C 1 2 1    
   85   75    0      --       1    26    2         89.86  4.75  C 1 2 1    
   86   76    3.077  --       1    75    2         89.85  4.84  C 1 2 1    
   87   ---  >10.77  --       3    20    1         89.84  5.11  C 1 2 1    
   88   77    0      --       1     3    2         89.84  4.22  C 1 2 1    
   89   78    0      --       1   140    1         89.84  5.33  C 1 2 1    
   90   79    0      --       1   252    1         89.83  5.84  C 1 2 1    

   79 accepted of 90 solutions
      79 pack of 79 accepted solutions

------------
OUTPUT FILES
------------

   No files output

CPU Time: 0 days 0 hrs 6 mins 23.17 secs (    383.17 secs)
Finished: Thu Sep 30 04:34:16 2021

******************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                               2.8.3 ***
******************************************************************************************

** Search: Only parameters of last component will be refined

CPU Time: 0 days 0 hrs 6 mins 23.17 secs (    383.17 secs)
Finished: Thu Sep 30 04:34:16 2021

******************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT REFINEMENT AND PHASING                  2.8.3 ***
******************************************************************************************

-----------------
TRANSLATIONAL NCS
-----------------

   tNCS not present

-------------------------------
DATA FOR REFINEMENT AND PHASING
-------------------------------

   Outlier Rejection
   -----------------
   No reflections are outliers

   Resolution of All Data (Number):        2.92  48.49 (2447)
   Resolution of Selected Data (Number):   2.92  48.49 (2447)

-------------------
WILSON DISTRIBUTION
-------------------

   Parameters set for Wilson log-likelihood calculation
   E = 0 and variance 1 for each reflection
   Without correction for SigF to the variances,
      Wilson log(likelihood) = - number of acentrics (2035)
                               - half number of centrics (412/2)
                             = -2241
   With correction for SigF,
      Wilson log(likelihood) = -2234.31

----------
ENSEMBLING
----------

   Ensemble Generation
   -------------------
   Resolution of Ensembles: 2.91671
   Scat% Radius Model# Rel-B    RMS   DRMS   VRMS Ensemble                           
    14.1    9.2      1  21.1  0.500  0.000  0.500 helix_pdb                          

   Trace Generation
   ----------------
   Ensemble        Trace-type  Length      Sampling Close-contact
   helix_pdb       all-atom       130          1.50          1.00

----------
REFINEMENT
----------

   Protocol cycle #1 of 1
   Refinement protocol for this macrocycle:
   ROTATION:         REFINE
   TRANSLATION:      REFINE
   BFACTOR:          REFINE
   MODEL VRMS:       FIX
   CELL SCALE:       FIX
   OCCUPANCY FACTOR: FIX
   LAST ONLY:        TRUE
   ROTATION RESTRAINT:    OFF
   TRANSLATION RESTRAINT: OFF

   There are 79 solutions to refine
   Spreading calculation onto 23 threads.
   Refining solutions
   0%   100%
   |====Temporary folder contents:
/tmp/tmpT6Jv0i:
	tmpOmK1Ml.out.pickle
	tmppPhSyM.in.pickle
Cleaning up temporary folder...done


Back to test
Full traceback:
Traceback (most recent call last):
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_runner.py", line 1048, in run_multiple_tests
    resfilesuffix = params.suffix
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_runner.py", line 181, in run_test_and_compare
    resfilesuffix = resfilesuffix,
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_runner.py", line 116, in execute_test
    resfilesuffix = resfilesuffix,
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_run_engine.py", line 68, in python_safe
    raise RuntimeError( "Error exit from process")
RuntimeError: Error exit from process


Back to test
ERROR: Error exit from process
Test 30: tstl_auto_glykos - script
ERROR
Jump to output, traceback or message
Output:
Temporary folder: /tmp/tmpo423Ga
# Running test using phaser executable #
Selecting phaser executable...
Selected: "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/build/bin/phenix.phaser"
Input:
MODE MR_AUTO
JOBS 23
HKLIN "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/data/regression/A31P_3A.mtz"
LABIN F=FP SIGF=SIGFP
COMPOSITION PROTEIN MW 12212 NUM 1
ENSEMBLE helix_pdb PDBFILE "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/data/regression/helix.pdb" RMS 0.5

ENSEMBLE helix_ala HELIX 14 RMS 1.0

SEARCH ENSEMBLE helix_pdb NUM 4
ROOT /tmp/tmpo423Ga/PHASER
Executing input...




##########################################################################################
##########################################################################################
##########################################################################################
### CCP4 PROGRAM SUITE: Phaser                                                   2.8.3 ###
##########################################################################################
User:         phaserbuilder
Run time:     Thu Sep 30 04:34:17 2021
Version:      2.8.3
Release Date: Thu Sep 30 04:12:05 2021 (git 7539, 219b54030... )

If you use this software please cite:
$TEXT:Reference1: $$ $$
"Phaser Crystallographic Software"
A.J. McCoy, R.W. Grosse-Kunstleve, P.D. Adams, M.D. Winn, L.C. Storoni & R.J. Read
J. Appl. Cryst. (2007). 40, 658-674
PDF

$$




******************************************************************************************
*** Phaser Module: PREPROCESSOR                                                  2.8.3 ***
******************************************************************************************

$TEXT:Script: $$ Baubles Markup $$
MODE MR_AUTO
JOBS 23
HKLIN &
"/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/data/regression/A31P_3A.mtz"
LABIN F=FP SIGF=SIGFP
COMPOSITION PROTEIN MW 12212 NUM 1
ENSEMBLE helix_pdb PDBFILE &
"/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/data/regression/helix.pdb" RMS &
0.5
ENSEMBLE helix_ala HELIX 14 RMS 1.0
SEARCH ENSEMBLE helix_pdb NUM 4
ROOT /tmp/tmpo423Ga/PHASER

$$
CPU Time: 0 days 0 hrs 0 mins 0.00 secs (      0.00 secs)
Finished: Thu Sep 30 04:34:17 2021

******************************************************************************************
*** Phaser Module: READ DATA FROM MTZ FILE                                       2.8.3 ***
******************************************************************************************

   Read from Mtz File
   ------------------
   Data read from mtz file:
   /mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/data/regression/A31P_3A.mtz
   Space-Group Name (Hall Symbol): C 1 2 1 ( C 2y)
   Space-Group Number: 5
   Unit Cell:   92.34   23.83   63.53   90.00  130.24   90.00
   Column Labels Selected: FP SIGFP
   Resolution on Mtz file:  2.92 48.49
   Resolution Selected:     2.92 48.49
   Number of Reflections in Selected Resolution Range: 2447

CPU Time: 0 days 0 hrs 0 mins 0.02 secs (      0.02 secs)
Finished: Thu Sep 30 04:34:17 2021

******************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                               2.8.3 ***
******************************************************************************************

** Steps:
**    Cell Content Analysis
**    Anisotropy correction
**    Translational NCS correction
**    Rotation Function
**    Translation Function
**    Packing
**    Refinement
**    Final Refinement (if data higher resolution than search resolution)
** Number of search ensembles = 4
** Search Method: FAST
** Input Search Order:
**    #1   helix_pdb  
**    #2   helix_pdb  
**    #3   helix_pdb  
**    #4   helix_pdb  
** Automatic (best predicted) search order WILL be used

CPU Time: 0 days 0 hrs 0 mins 0.02 secs (      0.02 secs)
Finished: Thu Sep 30 04:34:17 2021

******************************************************************************************
*** Phaser Module: CELL CONTENT ANALYSIS                                         2.8.3 ***
******************************************************************************************

   Space-Group Name (Hall Symbol): C 1 2 1 ( C 2y)
   Space-Group Number: 5
   Unit Cell:   92.34   23.83   63.52   90.00  130.24   90.00


--------------------
SPACE GROUP ANALYSIS
--------------------

   Input Space Group: C 1 2 1

   (a) Space groups derived by translation (screw) symmetry
   --------------------------------------------------------
   Z   Space Group    Hall Symbol
   ----
   4   C 1 2 1        C 2y
   ----

   (b) Subgroups of space group for perfect twinning expansions
   ------------------------------------------------------------
   R: Reindexing operation required (*)
   Only subgroups related by rotational symmetry are reported
   Z   Space Group   R Hall Symbol
   ----
   2   C 1           * P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)
   ---
   4   C 1 2 1         C 2y
   ----


   Composition is of type: PROTEIN
   MW to which Matthews applies: 12212
   Resolution for Matthews calculation:  2.92

   Z       MW         VM    % solvent  rel. freq.
   1       12212      2.18  43.69      1.000       <== most probable

   Z is the number of multiples of the total composition
   In most cases the most probable Z value should be 1
   If it is not 1, you may need to consider other compositions


   Histogram of relative frequencies of VM values
   ----------------------------------------------
   Frequency of most common VM value normalized to 1
   VM values plotted in increments of 1/VM (0.02)

        <--- relative frequency --->
        0.0  0.1  0.2  0.3  0.4  0.5  0.6  0.7  0.8  0.9  1.0  
        |    |    |    |    |    |    |    |    |    |    |    
   10.00 -
    8.33 -
    7.14 -
    6.25 -
    5.56 -
    5.00 -
    4.55 -
    4.17 --
    3.85 ----
    3.57 ------
    3.33 ---------
    3.12 --------------
    2.94 --------------------
    2.78 ---------------------------
    2.63 -----------------------------------
    2.50 ------------------------------------------
    2.38 ------------------------------------------------
    2.27 --------------------------------------------------
    2.17 ************************************************ (COMPOSITION*1)
    2.08 -----------------------------------------
    2.00 ------------------------------
    1.92 -------------------
    1.85 ----------
    1.79 -----
    1.72 --
    1.67 -
    1.61 -
    1.56 -
    1.52 -
    1.47 -
    1.43 -
    1.39 -
    1.35 -
    1.32 -
    1.28 -
    1.25 -

$TABLE : Cell Content Analysis:
$SCATTER 
:N*Composition vs Probability:0|2x0|1:1,2: 
$$
N*Composition Probability
$$ loggraph $$
1 0.950481
$$


   Most probable VM for resolution = 2.27165
   Most probable MW of protein in asu for resolution = 11741.8

CPU Time: 0 days 0 hrs 0 mins 0.05 secs (      0.05 secs)
Finished: Thu Sep 30 04:34:17 2021

******************************************************************************************
*** Phaser Module: ANISOTROPY CORRECTION                                         2.8.3 ***
******************************************************************************************


------------------------------
DATA FOR ANISOTROPY CORRECTION
------------------------------

   Resolution of All Data (Number):        2.92  48.49 (2447)
   Resolution of Selected Data (Number):   2.92  48.49 (2447)

   Outlier Rejection
   -----------------
   No reflections are outliers

---------------------
ANISOTROPY CORRECTION
---------------------

   Protocol cycle #1 of 3
   Refinement protocol for this macrocycle:
   BIN SCALES: REFINE
   ANISOTROPY: REFINE
   SOLVENT K:  FIX
   SOLVENT B:  FIX

   Protocol cycle #2 of 3
   Refinement protocol for this macrocycle:
   BIN SCALES: REFINE
   ANISOTROPY: REFINE
   SOLVENT K:  FIX
   SOLVENT B:  FIX

   Protocol cycle #3 of 3
   Refinement protocol for this macrocycle:
   BIN SCALES: REFINE
   ANISOTROPY: REFINE
   SOLVENT K:  FIX
   SOLVENT B:  FIX

   Outlier Rejection
   -----------------
   No reflections are outliers

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 4 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
      -27082.176            -27056.084                26.092

   Principal components of anisotropic part of B affecting observed amplitudes:
     eigenB (A^2)     direction cosines (orthogonal coordinates)
         7.693              0.0000   1.0000   0.0000
        -0.538              0.0621   0.0000   0.9981
        -7.155              0.9981   0.0000  -0.0621
   Anisotropic deltaB (i.e. range of principal components):  14.848

   Outlier Rejection
   -----------------
   No reflections are outliers

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 1 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
      -27056.084            -27056.084                 0.000

   Principal components of anisotropic part of B affecting observed amplitudes:
     eigenB (A^2)     direction cosines (orthogonal coordinates)
         7.693              0.0000   1.0000   0.0000
        -0.538              0.0621   0.0000   0.9981
        -7.155              0.9981   0.0000  -0.0621
   Anisotropic deltaB (i.e. range of principal components):  14.848

   Outlier Rejection
   -----------------
   No reflections are outliers

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 1 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
      -27056.084            -27056.084                 0.000

   Principal components of anisotropic part of B affecting observed amplitudes:
     eigenB (A^2)     direction cosines (orthogonal coordinates)
         7.693              0.0000   1.0000   0.0000
        -0.538              0.0621   0.0000   0.9981
        -7.155              0.9981   0.0000  -0.0621
   Anisotropic deltaB (i.e. range of principal components):  14.848

   Outlier Rejection
   -----------------
   No reflections are outliers


   Refined Anisotropy Parameters
   -----------------------------
   Principal components of anisotropic part of B affecting observed amplitudes:
     eigenB (A^2)     direction cosines (orthogonal coordinates)
         7.693              0.0000   1.0000   0.0000
        -0.538              0.0621   0.0000   0.9981
        -7.155              0.9981   0.0000  -0.0621
   Anisotropic deltaB (i.e. range of principal components):  14.848


--------------
ABSOLUTE SCALE
--------------

   Scale factor to put input Fs on absolute scale
   Wilson Scale:    1.86854
   Wilson B-factor: 34.8175

--------------------------------
DATA AFTER ANISOTROPY CORRECTION
--------------------------------


   Resolution of All Data (Number):        2.92  48.49 (2447)
   Resolution of Selected Data (Number):   2.92  48.49 (2447)


   Outlier Rejection
   -----------------
   No reflections are outliers


------------
OUTPUT FILES
------------

   No files output

CPU Time: 0 days 0 hrs 0 mins 0.11 secs (      0.11 secs)
Finished: Thu Sep 30 04:34:17 2021

******************************************************************************************
*** Phaser Module: TRANSLATIONAL NON-CRYSTALLOGRAPHIC SYMMETRY                   2.8.3 ***
******************************************************************************************


   Unit Cell:   92.34   23.83   63.53   90.00  130.24   90.00

---------------------
MAXIMUM NMOL ANALYSIS
---------------------

   Stoichiometry of search components:
      "helix_pdb"

   Molecular weight of components:  1807.94
   Volume of asymmetric unit:       26673.3
   Packing to solvent content:      20%
   Maximum automatic NMOL number:   9

-------------------------------------
DATA FOR TRANSLATIONAL NCS CORRECTION
-------------------------------------


   Resolution of All Data (Number):        2.92  48.49 (2447)
   Resolution of Selected Data (Number):   2.92  48.49 (2447)


   Outlier Rejection
   -----------------
   No reflections are outliers

   Weighted Intensity Moments for Data
   -----------------------------------
   Inverse variance-weighted 2nd Moment = /^2 == /^2
                        Untwinned   Perfect Twin
   2nd Moment  Centric:    3.0          2.0
   2nd Moment Acentric:    2.0          1.5
                               Measured
   2nd Moment  Centric:             4.01
   2nd Moment Acentric:             2.55

   Resolution for Twin Analysis (85% I/SIGI > 3):  3.57A (HiRes= 2.92A)

$TABLE : Intensity distribution for Data:
$GRAPHS 
:Cumulative intensity distribution (acentric and centric):N:1,2,3,4,5,6: 
$$
Z ACent_theor ACent_twin ACent_obser Cent_theor Cent_obser
$$ loggraph $$
0 0 0 0 0 0 
0.04 0.0392106 0.0030343 0.0549954 0.158519 0.176471 
0.08 0.0768837 0.0115132 0.0934922 0.222703 0.261029 
0.12 0.11308 0.0245815 0.137489 0.270966 0.3125 
0.16 0.147856 0.0414833 0.170486 0.310843 0.356618 
0.2 0.181269 0.0615519 0.212649 0.345279 0.386029 
0.24 0.213372 0.0842006 0.246563 0.375794 0.415441 
0.28 0.244216 0.108914 0.285976 0.403299 0.444853 
0.32 0.273851 0.13524 0.313474 0.428392 0.459559 
0.36 0.302324 0.162786 0.332722 0.451494 0.474265 
0.4 0.32968 0.191208 0.362053 0.472911 0.496324 
0.44 0.355964 0.220208 0.391384 0.492878 0.514706 
0.48 0.381217 0.24953 0.417049 0.511578 0.555147 
0.52 0.405479 0.278952 0.459212 0.529158 0.558824 
0.56 0.428791 0.308287 0.477544 0.54574 0.573529 
0.6 0.451188 0.337373 0.498625 0.561422 0.588235 
0.64 0.472708 0.366075 0.519707 0.576289 0.602941 
0.68 0.493383 0.394281 0.542621 0.590413 0.628676 
0.72 0.513248 0.421896 0.55912 0.603856 0.636029 
0.76 0.532334 0.448846 0.577452 0.616672 0.643382 
0.8 0.550671 0.475069 0.595784 0.628907 0.654412 
0.84 0.56829 0.500518 0.615949 0.640603 0.665441 
0.88 0.585217 0.525156 0.627864 0.651798 0.665441 
0.92 0.601481 0.548959 0.641613 0.662525 0.672794 
0.96 0.617107 0.571908 0.652612 0.672813 0.683824 
1 0.632121 0.593994 0.667278 0.682689 0.709559 
1.04 0.646545 0.615215 0.681027 0.692179 0.716912 
1.08 0.660404 0.635573 0.692026 0.701302 0.720588 
1.12 0.67372 0.655074 0.710357 0.710082 0.727941 
1.16 0.686514 0.673732 0.72319 0.718534 0.735294 
1.2 0.698806 0.691559 0.731439 0.726678 0.742647 
1.24 0.710616 0.708574 0.740605 0.734529 0.75 
1.28 0.721963 0.724795 0.749771 0.742101 0.757353 
1.32 0.732865 0.740245 0.758937 0.749408 0.779412 
1.36 0.743339 0.754946 0.765353 0.756463 0.783088 
1.4 0.753403 0.768922 0.769936 0.763276 0.794118 
1.44 0.763072 0.782197 0.780935 0.769861 0.797794 
1.48 0.772362 0.794797 0.786434 0.776226 0.801471 
1.52 0.781288 0.806747 0.791934 0.782381 0.801471 
1.56 0.789864 0.818072 0.800183 0.788335 0.805147 
1.6 0.798103 0.828799 0.80385 0.794097 0.808824 
1.64 0.80602 0.838951 0.811182 0.799674 0.816176 
1.68 0.813626 0.848554 0.820348 0.805076 0.819853 
1.72 0.820934 0.857633 0.828598 0.810307 0.823529 
1.76 0.827955 0.866211 0.833181 0.815376 0.827206 
1.8 0.834701 0.874311 0.836847 0.820287 0.830882 
1.84 0.841183 0.881957 0.842346 0.825049 0.830882 
1.88 0.84741 0.889169 0.845096 0.829666 0.834559 
1.92 0.853393 0.895971 0.852429 0.834143 0.838235 
1.96 0.859142 0.902382 0.863428 0.838487 0.841912 
2 0.864665 0.908422 0.864345 0.842701 0.849265 
$$
$TABLE : Weighted second moments for Data:
$GRAPHS 
:Weighted second moments vs resolution (acentric only):AUTO:1,2,3,4: 
$$
1/d^2 ACent_theor ACent_twin ACent_obser
$$ loggraph $$
0.0102 2.00298 1.50298 3.78341 
0.0297 2.00054 1.50054 2.16391 
0.0492 2.00101 1.50101 2.49935 
0.0687 2.00348 1.50348 2.43479 
0.0883 2.00675 1.50675 2.10771 
0.1078 2.03104 1.53104 2.05434 
$$
---------------------
ANISOTROPY CORRECTION
---------------------

   Weighted Intensity Moments after Anisotropy Correction
   ------------------------------------------------------
   Inverse variance-weighted 2nd Moment = /^2 == /^2
                        Untwinned   Perfect Twin
   2nd Moment  Centric:    3.0          2.0
   2nd Moment Acentric:    2.0          1.5
                               Measured
   2nd Moment  Centric:             3.52
   2nd Moment Acentric:             2.54

   Resolution for Twin Analysis (85% I/SIGI > 3):  3.57A (HiRes= 2.92A)

$TABLE : Intensity distribution after Anisotropy Correction:
$GRAPHS 
:Cumulative intensity distribution (acentric and centric):N:1,2,3,4,5,6: 
$$
Z ACent_theor ACent_twin ACent_obser Cent_theor Cent_obser
$$ loggraph $$
0 0 0 0 0 0 
0.04 0.0392106 0.0030343 0.0531622 0.158519 0.180147 
0.08 0.0768837 0.0115132 0.0953254 0.222703 0.275735 
0.12 0.11308 0.0245815 0.133822 0.270966 0.323529 
0.16 0.147856 0.0414833 0.173236 0.310843 0.363971 
0.2 0.181269 0.0615519 0.208983 0.345279 0.389706 
0.24 0.213372 0.0842006 0.242896 0.375794 0.433824 
0.28 0.244216 0.108914 0.278643 0.403299 0.452206 
0.32 0.273851 0.13524 0.312557 0.428392 0.477941 
0.36 0.302324 0.162786 0.335472 0.451494 0.496324 
0.4 0.32968 0.191208 0.358387 0.472911 0.514706 
0.44 0.355964 0.220208 0.39505 0.492878 0.558824 
0.48 0.381217 0.24953 0.425298 0.511578 0.569853 
0.52 0.405479 0.278952 0.456462 0.529158 0.580882 
0.56 0.428791 0.308287 0.479377 0.54574 0.602941 
0.6 0.451188 0.337373 0.501375 0.561422 0.606618 
0.64 0.472708 0.366075 0.522456 0.576289 0.621324 
0.68 0.493383 0.394281 0.541705 0.590413 0.636029 
0.72 0.513248 0.421896 0.560953 0.603856 0.647059 
0.76 0.532334 0.448846 0.579285 0.616672 0.654412 
0.8 0.550671 0.475069 0.598533 0.628907 0.665441 
0.84 0.56829 0.500518 0.612282 0.640603 0.672794 
0.88 0.585217 0.525156 0.622365 0.651798 0.680147 
0.92 0.601481 0.548959 0.63703 0.662525 0.691176 
0.96 0.617107 0.571908 0.652612 0.672813 0.709559 
1 0.632121 0.593994 0.662695 0.682689 0.716912 
1.04 0.646545 0.615215 0.679193 0.692179 0.738971 
1.08 0.660404 0.635573 0.690192 0.701302 0.75 
1.12 0.67372 0.655074 0.705775 0.710082 0.753676 
1.16 0.686514 0.673732 0.71494 0.718534 0.768382 
1.2 0.698806 0.691559 0.722273 0.726678 0.772059 
1.24 0.710616 0.708574 0.735105 0.734529 0.790441 
1.28 0.721963 0.724795 0.749771 0.742101 0.790441 
1.32 0.732865 0.740245 0.754354 0.749408 0.790441 
1.36 0.743339 0.754946 0.762603 0.756463 0.794118 
1.4 0.753403 0.768922 0.771769 0.763276 0.805147 
1.44 0.763072 0.782197 0.779102 0.769861 0.8125 
1.48 0.772362 0.794797 0.791934 0.776226 0.8125 
1.52 0.781288 0.806747 0.79835 0.782381 0.823529 
1.56 0.789864 0.818072 0.802933 0.788335 0.827206 
1.6 0.798103 0.828799 0.807516 0.794097 0.827206 
1.64 0.80602 0.838951 0.813016 0.799674 0.834559 
1.68 0.813626 0.848554 0.816682 0.805076 0.834559 
1.72 0.820934 0.857633 0.824931 0.810307 0.834559 
1.76 0.827955 0.866211 0.830431 0.815376 0.838235 
1.8 0.834701 0.874311 0.835014 0.820287 0.845588 
1.84 0.841183 0.881957 0.84143 0.825049 0.852941 
1.88 0.84741 0.889169 0.849679 0.829666 0.852941 
1.92 0.853393 0.895971 0.857929 0.834143 0.856618 
1.96 0.859142 0.902382 0.861595 0.838487 0.856618 
2 0.864665 0.908422 0.866178 0.842701 0.856618 
$$
$TABLE : Weighted second moments after Anisotropy Correction:
$GRAPHS 
:Weighted second moments vs resolution (acentric only):AUTO:1,2,3,4: 
$$
1/d^2 ACent_theor ACent_twin ACent_obser
$$ loggraph $$
0.0102 2.00309 1.50309 3.78978 
0.0297 2.00052 1.50052 2.09075 
0.0492 2.00106 1.50106 2.65001 
0.0687 2.00333 1.50333 2.32108 
0.0883 2.00663 1.50663 2.06242 
0.1078 2.0287 1.5287 1.96554 
$$
-----------------
TRANSLATIONAL NCS
-----------------

   tNCS vector not set
   Space Group (without translational symmetry):C 1 2 1
   Patterson Symmetry: C 1 2/m 1
   Resolution of All Data (Number):        2.92  48.49 (2447)
   Resolution of Patterson (Number):       5.00   9.98 (443)

   Raw Patterson Peaks Table
   -------------------------
   Sorted by Height
   Height Vector
   100.0%:   FRAC -0.0000 -0.0000 -0.0000   (ORTH   -0.0    0.0   -0.0)

   Patterson Top (All) = 19.77%
      There were 49 peaks

   Patterson Top (Non-origin) = 11.21%
      Patterson Origin Vector Distance = 15
      There were 39 non-origin peaks

   Patterson Top (Cutoff) = 0.00%
      Patterson cutoff = 20%
      There were 0 non-origin peaks over cutoff

   Patterson Top (Large Cell) = 0.00%
      Unit Cell dimension was not smaller than origin Patterson vector distance
      There were 0 non-origin and large cell peaks over cutoff

   Patterson Top (Analysis) = 0.00%
      Peaks within minimum Patterson vector distance of one another were deleted
      There were 0 widely separated non-origin peaks over cutoff

   There were no interesting non-origin Patterson peaks

   No tNCS found in Patterson


--------
TWINNING
--------

   tNCS/Twin Detection Table
   -------------------------
                                 -Second Moments-             --P-values--
                                 Centric Acentric       untwinned  twin frac < 5%
   Theoretical for untwinned      3.00    2.00    
     including measurement error  3.00    2.00    
   Theoretical for perfect twin   2.00    1.50    
   Initial (data as input)        4.01    2.55+/-0.135  1          1         
   After Anisotropy Correction    3.52    2.54+/-0.135  1          1         
   After Anisotropy and tNCS         ---n/a---

   P-value < 0.01 for < 5% twinned is considered worth investigating
   Resolution for Twin Analysis (85% I/SIGI > 3):  3.57A (HiRes= 2.92A)


---------------------------------------
DATA AFTER TRANSLATIONAL NCS CORRECTION
---------------------------------------


   Resolution of All Data (Number):        2.92  48.49 (2447)
   Resolution of Selected Data (Number):   2.92  48.49 (2447)


   Outlier Rejection
   -----------------
   No reflections are outliers

------------
OUTPUT FILES
------------

   No files output


CPU Time: 0 days 0 hrs 0 mins 0.14 secs (      0.14 secs)
Finished: Thu Sep 30 04:34:17 2021

******************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                               2.8.3 ***
******************************************************************************************

** Z-score test for definite solution is ON
** Z-score test for stopping search is OFF
** Deep search is ON

CPU Time: 0 days 0 hrs 0 mins 0.14 secs (      0.14 secs)
Finished: Thu Sep 30 04:34:17 2021

******************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                               2.8.3 ***
******************************************************************************************

   Composition Table
   -----------------
   Total Scattering = 39821
   Search occupancy factor = 1 (default)
   Ensemble                       Frac.Scat. (Search Frac.Scat.) 
   helix_ala                           7.77%               7.77%
   helix_pdb                          14.13%              14.13%

** Composition not increased



CPU Time: 0 days 0 hrs 0 mins 0.14 secs (      0.14 secs)
Finished: Thu Sep 30 04:34:17 2021

******************************************************************************************
*** Phaser Module: EXPERIMENTAL ERROR CORRECTION PREPARATION                     2.8.3 ***
******************************************************************************************


-----------------
TRANSLATIONAL NCS
-----------------

   tNCS not present

-----------------------------
EXPERIMENTAL ERROR CORRECTION
-----------------------------

   Calculate Luzzati D factors accounting for observational error...


   Data have been provided as French-Wilson amplitudes


------------
OUTPUT FILES
------------

   No files output


CPU Time: 0 days 0 hrs 0 mins 0.16 secs (      0.16 secs)
Finished: Thu Sep 30 04:34:17 2021

******************************************************************************************
*** Phaser Module: EXPECTED LLG OF ENSEMBLES                                     2.8.3 ***
******************************************************************************************


-----------------
TRANSLATIONAL NCS
-----------------

   tNCS not present


   Resolution of Data (Selected):    2.917 (2.91671)
   Number of Reflections (Selected): 2447 (2447)
   eLLG Target: 225


----------
ENSEMBLING
----------

   Ensemble: helix_ala
   -------------------
   Coordinates from string # 1 helix
      This file contains 1 model
      The input RmsD of model #1 with respect to the real structure is 1.000

   Ensemble: helix_pdb
   -------------------
   PDB file # 1: helix.pdb
      This file contains 1 model
      The input RmsD of model #1 with respect to the real structure is 0.500

   Guide to eLLG values
   ---------------------
   eLLG      Top solution correct?
   <25       -no 
   25-36     -unlikely
   36-49     -possibly
   49-64     -probably
   >64       -yes


-----------------
POLY-ALANINE ELLG
-----------------

   Resolution = 2.91671
   Default RMSD = 0.1 0.2 0.4 0.8 1.6 3.2
   Minimum solvent = 20%
      Maximum number of polyalanine residues = 140 (-full-)
   Alanine residues for eLLG target = 79

   Table of Alanine Residues for eLLG Target
   -----------------------------------------
                  ---RMSD--- 
   eLLG-target |  0.10  0.20  0.40  0.80  1.60  3.20 
           225 |    79    81    91   137 -full--full-
           196 |    74    76    85   128 -full--full-
           169 |    69    71    79   119 -full--full-
           144 |    63    65    73   110 -full--full-
           121 |    58    60    67   100 -full--full-
           100 |    53    54    61    91 -full--full-
            81 |    47    49    54    82 -full--full-
            64 |    42    43    48    73 -full--full-
            49 |    37    38    42    64 -full--full-
            36 |    31    32    36    55 -full--full-
            25 |    26    27    30    45   136 -full-
            16 |    21    21    24    36   108 -full-
             9 |    15    16    18    27    81 -full-
             4 |    10    10    12    18    54 -full-
             1 |     5     5     6     9    27 -full-

--------------
MONOMERIC ELLG
--------------

   Expected LLG (eLLG)
   -------------------
   eLLG: eLLG of ensemble alone
       eLLG   RMSD frac-scat  Ensemble
       14.1  0.500   0.14128  helix_pdb

   Resolution for eLLG target
   --------------------------
   eLLG-reso: Resolution to achieve target eLLG (225)
     eLLG-reso  Ensemble
   > 2.92(all)  helix_pdb

   Resolution for eLLG target: data collection
   -------------------------------------------
   eLLG-reso: Resolution to achieve target eLLG (225) with perfect data
     eLLG-reso  Ensemble
        >1.2A   helix_pdb


------------------------------------------------------------------------------------------
Advisory: 
eLLG indicates that placement of a single copy of ensemble "helix_pdb" will be very
difficult
------------------------------------------------------------------------------------------


   Expected LLG (eLLG): Chains
   ---------------------------
   eLLG: eLLG of chain alone
       eLLG   RMSD frac-scat chain  Ensemble
       14.1  0.500   0.14128  " A"  helix_pdb

   Resolution for eLLG target: Chains
   ----------------------------------
   eLLG-reso: Resolution to achieve target eLLG (225)
     eLLG-reso chain  Ensemble
   > 2.92(all)  " A"  helix_pdb

--------------------
HOMO-OLIGOMERIC ELLG
--------------------

   Number of copies for eLLG target
   --------------------------------
   eLLG-target   RMSD frac-scat-known frac-scat   num-copies  Ensemble
           225  0.500         0.42383   0.56511            4  helix_pdb

CPU Time: 0 days 0 hrs 0 mins 0.19 secs (      0.19 secs)
Finished: Thu Sep 30 04:34:17 2021

******************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                               2.8.3 ***
******************************************************************************************

** Search Order (next search *) (placed +):
**    #1   helix_pdb *
**    #2   helix_pdb  
**    #3   helix_pdb  
**    #4   helix_pdb  

CPU Time: 0 days 0 hrs 0 mins 0.19 secs (      0.19 secs)
Finished: Thu Sep 30 04:34:17 2021

******************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT ROTATION FUNCTION                       2.8.3 ***
******************************************************************************************


-----------------
TRANSLATIONAL NCS
-----------------

   tNCS not present

--------------------------
DATA FOR ROTATION FUNCTION
--------------------------


   High resolution limit unaltered by RMS of ensemble
   High resolution limit unaltered by expected LLG


   Outlier Rejection
   -----------------
   No reflections are outliers

   Resolution of All Data (Number):        2.92  48.49 (2447)
   Resolution of Selected Data (Number):   2.92  48.49 (2447)

-------------------
WILSON DISTRIBUTION
-------------------

   Parameters set for Wilson log-likelihood calculation
   E = 0 and variance 1 for each reflection
   Without correction for SigF to the variances,
      Wilson log(likelihood) = - number of acentrics (2035)
                               - half number of centrics (412/2)
                             = -2241
   With correction for SigF,
      Wilson log(likelihood) = -2234.31

----------
ENSEMBLING
----------

   Ensemble Generation: helix_pdb
   ------------------------------
   Ensemble configured for structure factor interpolation
   Ensemble configured to resolution  2.92

   Electron Density Calculation
   0%      100%
   |=======| DONE

   Ensemble Generation
   -------------------
   Resolution of Ensembles: 2.91671
   Scat% Radius Model# Rel-B    RMS   DRMS   VRMS Ensemble                           
    14.1    9.2      1  21.1  0.500  0.000  0.500 helix_pdb                          

-----------------
ROTATION FUNCTION
-----------------

   Ensemble configured to resolution  2.92
   Elmn for Search Ensemble
   Spreading calculation onto 23 threads.
   Elmn Calculation for Search Ensemble
   0%                   100%
   |=====================| DONE

   Target Function: FAST LERF1

-------------------------
ROTATION FUNCTION #1 OF 1
-------------------------

   Search Ensemble: helix_pdb

   Sampling:  9.05 degrees


   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 23 threads.
   Elmn Calculation for Data
   0%                       100%
   |=========================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 23 threads.
   Clmn Calculation
   0% 100%
   |==| DONE

   Helix for model: cluster angle reduced
   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 52.5% of top
   There were 668 sites over 52.5% of top
   668 peaks selected
   The sites over 52.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      150.3   21.6  163.0    100.000  4.42
   2       47.1   40.8  168.3     99.027  4.37
   3       39.0   41.2  167.1     98.968  4.37
   #Sites = 668: output truncated to 3 sites

   Top 668 rotations before clustering will be rescored
   Spreading calculation onto 23 threads
   Calculating Likelihood for RF #1 of 1
   0%                             100%
   |===============================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 23 threads
   Generating Statistics for RF #1 of 1
   0%                     100%
   |=======================| DONE

   Highest Score (Z-score):  43.411   ( 4.73)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 396 sites over 60% of top
   The sites over 60% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       35.7   33.6  180.1     43.411  4.73   0.0      1     93.576/    93.576
          144.3  146.4    0.1
   2      132.6   24.8  184.1     42.714  4.67 100.7      1     92.450/    92.450
           47.4  155.2    4.1
   3      263.5   21.1  136.3     42.276  4.63 171.9      1     88.965/    88.965
          276.5  158.9  316.3
   #SITES = 396: OUTPUT TRUNCATED TO 3 SITES

   Rotation Function Results
   Top1: ENSEMBLE helix_pdb EULER 35.719 33.639 180.082 RF=43.4 RFZ=4.73


   Rotation Function Table: helix_pdb
   ----------------------------------
   (Z-scores from Fast Rotation Function)
   #SET        Top    (Z)      Second    (Z)       Third    (Z)
   1         43.41   4.73       42.71   4.67       42.28   4.63


---------------
FINAL SELECTION
---------------


   Select by Percentage of Top value: 75%
   Top RF = 43.411
   Purge RF mean = -9.934
   Number of sets stored before final selection = 1
   Number of solutions stored before final selection = 396
   Number of sets stored (deleted) after final selection = 1 (0)
   Number of solutions stored (deleted) after final selection = 396 (0)
   Percent used for purge = 60.000%
      Includes deep search down percent = 15%
      Number of solutions stored above (below) deep threshold = 175 (221)

   Rotation Function Final Selection Table
   ---------------------------------------
   Rotation list length by SET
   SET#  Start Final Deleted Set (*)   Deep: Start Final Deleted Set (*)
      1  175   175         -                 396   396         -
   ALL   175   175                           396   396  


$TABLE : Rotation Function Component #1 (helix_pdb) :
$GRAPHS 
:RF Number vs LL-gain:AUTO:1,2: :RF Number vs Z-Score:AUTO:1,3: 
$$
Number LLG Z-Score
$$ loggraph $$
1      43.41  4.73
2      42.71  4.67
3      42.28  4.63
4      41.96  4.60
5      41.81  4.59
6      41.53  4.56
7      41.49  4.56
8      41.45  4.55
9      40.52  4.47
10      40.47  4.47
11      39.83  4.41
12      39.74  4.40
13      39.67  4.40
14      39.50  4.38
15      39.43  4.38
16      39.33  4.37
17      39.14  4.35
18      38.74  4.31
19      38.72  4.31
20      38.66  4.31
21      38.61  4.30
22      38.51  4.29
23      38.47  4.29
24      38.18  4.26
25      37.73  4.23
26      37.61  4.21
27      37.52  4.21
28      37.50  4.21
29      37.45  4.20
30      37.41  4.20
31      37.34  4.19
32      37.05  4.16
33      37.05  4.16
34      36.80  4.14
35      36.79  4.14
36      36.73  4.14
37      36.63  4.13
38      36.63  4.13
39      36.56  4.12
40      36.45  4.11
41      36.31  4.10
42      36.24  4.09
43      36.06  4.08
44      36.04  4.08
45      35.94  4.07
46      35.93  4.07
47      35.91  4.06
48      35.88  4.06
49      35.78  4.05
50      35.70  4.05
51      35.66  4.04
52      35.54  4.03
53      35.47  4.02
54      35.31  4.01
55      35.31  4.01
56      35.30  4.01
57      35.29  4.01
58      35.27  4.01
59      35.25  4.00
60      35.19  4.00
61      35.18  4.00
62      34.90  3.97
63      34.88  3.97
64      34.82  3.97
65      34.75  3.96
66      34.71  3.96
67      34.69  3.96
68      34.65  3.95
69      34.55  3.94
70      34.48  3.94
71      34.38  3.93
72      34.36  3.93
73      34.33  3.92
74      34.33  3.92
75      34.29  3.92
76      34.18  3.91
77      34.16  3.91
78      34.13  3.91
79      34.13  3.91
80      34.12  3.91
81      34.06  3.90
82      33.99  3.89
83      33.93  3.89
84      33.89  3.88
85      33.86  3.88
86      33.80  3.88
87      33.77  3.87
88      33.76  3.87
89      33.75  3.87
90      33.72  3.87
91      33.67  3.87
92      33.65  3.86
93      33.55  3.85
94      33.51  3.85
95      33.50  3.85
96      33.50  3.85
97      33.45  3.85
98      33.43  3.84
99      33.39  3.84
100      33.38  3.84
101      33.29  3.83
102      33.27  3.83
103      33.26  3.83
104      33.23  3.83
105      33.13  3.82
106      33.06  3.81
107      33.04  3.81
108      32.99  3.81
109      32.96  3.80
110      32.95  3.80
111      32.93  3.80
112      32.90  3.80
113      32.88  3.80
114      32.87  3.79
115      32.75  3.78
116      32.73  3.78
117      32.67  3.78
118      32.66  3.78
119      32.57  3.77
120      32.57  3.77
121      32.54  3.77
122      32.52  3.76
123      32.38  3.75
124      32.27  3.74
125      32.26  3.74
126      32.02  3.72
127      31.97  3.71
128      31.96  3.71
129      31.91  3.71
130      31.83  3.70
131      31.83  3.70
132      31.79  3.70
133      31.73  3.69
134      31.73  3.69
135      31.65  3.69
136      31.65  3.69
137      31.56  3.68
138      31.53  3.68
139      31.53  3.68
140      31.52  3.67
141      31.52  3.67
142      31.50  3.67
143      31.44  3.67
144      31.43  3.67
145      31.41  3.67
146      31.41  3.66
147      31.40  3.66
148      31.31  3.66
149      31.14  3.64
150      31.08  3.64
151      31.06  3.63
152      31.04  3.63
153      31.01  3.63
154      31.01  3.63
155      30.97  3.63
156      30.97  3.63
157      30.91  3.62
158      30.91  3.62
159      30.89  3.62
160      30.81  3.61
161      30.81  3.61
162      30.69  3.60
163      30.64  3.60
164      30.63  3.60
165      30.58  3.59
166      30.57  3.59
167      30.53  3.59
168      30.41  3.58
169      30.39  3.57
170      30.34  3.57
171      30.25  3.56
172      30.22  3.56
173      30.18  3.56
174      30.13  3.55
175      30.08  3.55
176      30.06  3.55
177      30.05  3.54
178      30.01  3.54
179      29.97  3.54
180      29.96  3.54
181      29.94  3.53
182      29.81  3.52
183      29.79  3.52
184      29.78  3.52
185      29.78  3.52
186      29.78  3.52
187      29.76  3.52
188      29.70  3.51
189      29.58  3.50
190      29.54  3.50
191      29.45  3.49
192      29.45  3.49
193      29.42  3.49
194      29.33  3.48
195      29.33  3.48
196      29.27  3.48
197      29.26  3.47
198      29.24  3.47
199      29.22  3.47
200      29.20  3.47
201      29.13  3.46
202      29.08  3.46
203      29.01  3.45
204      28.93  3.44
205      28.89  3.44
206      28.88  3.44
207      28.81  3.43
208      28.79  3.43
209      28.76  3.43
210      28.73  3.43
211      28.73  3.43
212      28.72  3.43
213      28.69  3.42
214      28.60  3.42
215      28.59  3.41
216      28.58  3.41
217      28.56  3.41
218      28.52  3.41
219      28.51  3.41
220      28.47  3.40
221      28.46  3.40
222      28.45  3.40
223      28.43  3.40
224      28.33  3.39
225      28.31  3.39
226      28.29  3.39
227      28.13  3.37
228      27.98  3.36
229      27.80  3.34
230      27.76  3.34
231      27.74  3.34
232      27.70  3.34
233      27.69  3.34
234      27.69  3.33
235      27.63  3.33
236      27.61  3.33
237      27.61  3.33
238      27.60  3.33
239      27.58  3.33
240      27.55  3.32
241      27.50  3.32
242      27.46  3.32
243      27.39  3.31
244      27.37  3.31
245      27.35  3.30
246      27.29  3.30
247      27.28  3.30
248      27.24  3.30
249      27.20  3.29
250      27.13  3.29
251      27.09  3.28
252      27.07  3.28
253      27.06  3.28
254      27.00  3.27
255      26.95  3.27
256      26.95  3.27
257      26.88  3.26
258      26.82  3.26
259      26.81  3.26
260      26.81  3.26
261      26.80  3.26
262      26.76  3.25
263      26.75  3.25
264      26.74  3.25
265      26.74  3.25
266      26.72  3.25
267      26.66  3.24
268      26.65  3.24
269      26.63  3.24
270      26.62  3.24
271      26.61  3.24
272      26.57  3.24
273      26.55  3.23
274      26.53  3.23
275      26.49  3.23
276      26.46  3.23
277      26.45  3.23
278      26.44  3.22
279      26.43  3.22
280      26.41  3.22
281      26.31  3.21
282      26.22  3.20
283      26.19  3.20
284      26.18  3.20
285      26.16  3.20
286      26.14  3.20
287      26.11  3.19
288      26.03  3.19
289      26.00  3.19
290      25.99  3.18
291      25.95  3.18
292      25.94  3.18
293      25.94  3.18
294      25.91  3.18
295      25.91  3.18
296      25.88  3.17
297      25.81  3.17
298      25.79  3.17
299      25.74  3.16
300      25.74  3.16
301      25.66  3.16
302      25.63  3.15
303      25.56  3.15
304      25.52  3.14
305      25.43  3.14
306      25.43  3.14
307      25.43  3.14
308      25.35  3.13
309      25.33  3.13
310      25.31  3.12
311      25.27  3.12
312      25.26  3.12
313      25.17  3.11
314      25.13  3.11
315      25.05  3.10
316      25.04  3.10
317      24.98  3.10
318      24.98  3.09
319      24.94  3.09
320      24.93  3.09
321      24.92  3.09
322      24.92  3.09
323      24.90  3.09
324      24.90  3.09
325      24.85  3.08
326      24.83  3.08
327      24.76  3.08
328      24.75  3.07
329      24.74  3.07
330      24.52  3.05
331      24.49  3.05
332      24.48  3.05
333      24.45  3.05
334      24.38  3.04
335      24.34  3.04
336      24.32  3.04
337      24.27  3.03
338      24.26  3.03
339      24.23  3.03
340      24.18  3.02
341      24.12  3.02
342      24.08  3.02
343      24.05  3.01
344      24.03  3.01
345      23.90  3.00
346      23.84  2.99
347      23.65  2.98
348      23.64  2.98
349      23.58  2.97
350      23.53  2.97
351      23.52  2.97
352      23.42  2.96
353      23.35  2.95
354      23.32  2.95
355      23.28  2.94
356      23.25  2.94
357      23.25  2.94
358      23.24  2.94
359      23.23  2.94
360      23.20  2.94
361      23.16  2.93
362      23.16  2.93
363      23.14  2.93
364      23.10  2.93
365      23.08  2.93
366      23.05  2.92
367      23.05  2.92
368      23.01  2.92
369      22.97  2.92
370      22.97  2.92
371      22.96  2.92
372      22.96  2.92
373      22.96  2.92
374      22.95  2.91
375      22.94  2.91
376      22.92  2.91
377      22.91  2.91
378      22.90  2.91
379      22.85  2.91
380      22.81  2.90
381      22.65  2.89
382      22.64  2.89
383      22.64  2.89
384      22.61  2.88
385      22.45  2.87
386      22.45  2.87
387      22.44  2.87
388      22.43  2.87
389      22.40  2.87
390      22.38  2.86
391      22.30  2.86
392      22.29  2.86
393      22.25  2.85
394      22.23  2.85
395      22.18  2.85
396      22.16  2.84
$$

------------
OUTPUT FILES
------------

   No files output

CPU Time: 0 days 0 hrs 0 mins 9.52 secs (      9.52 secs)
Finished: Thu Sep 30 04:34:18 2021

******************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT TRANSLATION FUNCTION                    2.8.3 ***
******************************************************************************************


-----------------
TRANSLATIONAL NCS
-----------------

   tNCS not present

-----------------------------
DATA FOR TRANSLATION FUNCTION
-----------------------------

   Outlier Rejection
   -----------------
   No reflections are outliers


   Resolution of All Data (Number):        2.92  48.49 (2447)
   Resolution of Selected Data (Number):   2.92  48.49 (2447)


-------------------
WILSON DISTRIBUTION
-------------------

   Parameters set for Wilson log-likelihood calculation
   E = 0 and variance 1 for each reflection
   Without correction for SigF to the variances,
      Wilson log(likelihood) = - number of acentrics (2035)
                               - half number of centrics (412/2)
                             = -2241
   With correction for SigF,
      Wilson log(likelihood) = -2234.31


------------------------
ALTERNATIVE SPACE GROUPS
------------------------

   Space Group(s) to be tested:
     C 1 2 1


----------
ENSEMBLING
----------

   Ensemble Generation
   -------------------
   Resolution of Ensembles: 2.91671
   Scat% Radius Model# Rel-B    RMS   DRMS   VRMS Ensemble                           
    14.1    9.2      1  21.1  0.500  0.000  0.500 helix_pdb                          

   Trace Generation: helix_pdb
   ---------------------------
      This trace is from coordinates

   Trace Generation
   ----------------
   Ensemble        Trace-type  Length      Sampling Close-contact
   helix_pdb       all-atom       130          1.50          1.00

---------------------
TRANSLATION FUNCTIONS
---------------------

   Target Function: FAST LETF1
   Translation Packing Function applied: top peak will pack
   Translation Packing Cutoff: 50%
   Sampling:  0.73 Angstroms


----------------------------
TRANSLATION FUNCTION #1 OF 1
----------------------------


   SOLU SET 
   SOLU SPAC C 1 2 1
   SOLU TRIAL ENSEMBLE helix_pdb EULER   35.719   33.639  180.082 RF   43.4 RFZ  4.73

   SOLU TRIAL ENSEMBLE helix_pdb EULER  132.641   24.827  184.107 RF   42.7 RFZ  4.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  263.507   21.063  136.319 RF   42.3 RFZ  4.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  272.164   32.060  134.563 RF   42.0 RFZ  4.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.749   32.036  139.851 RF   41.8 RFZ  4.59

   SOLU TRIAL ENSEMBLE helix_pdb EULER  118.948   30.667  179.407 RF   41.5 RFZ  4.56

   SOLU TRIAL ENSEMBLE helix_pdb EULER  245.858   28.828  133.291 RF   41.5 RFZ  4.56

   SOLU TRIAL ENSEMBLE helix_pdb EULER  310.755   41.514  152.542 RF   41.4 RFZ  4.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.746   38.279  140.515 RF   40.5 RFZ  4.47

   SOLU TRIAL ENSEMBLE helix_pdb EULER  319.263   43.985  153.033 RF   40.5 RFZ  4.47

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.190   40.042  170.819 RF   39.8 RFZ  4.41

   SOLU TRIAL ENSEMBLE helix_pdb EULER  307.829   37.553  145.582 RF   39.7 RFZ  4.40

   SOLU TRIAL ENSEMBLE helix_pdb EULER   13.623   39.029  148.104 RF   39.7 RFZ  4.40

   SOLU TRIAL ENSEMBLE helix_pdb EULER    4.287   40.941  145.691 RF   39.5 RFZ  4.38

   SOLU TRIAL ENSEMBLE helix_pdb EULER  334.838   42.063  156.504 RF   39.4 RFZ  4.38

   SOLU TRIAL ENSEMBLE helix_pdb EULER  299.649   36.975  144.511 RF   39.3 RFZ  4.37

   SOLU TRIAL ENSEMBLE helix_pdb EULER  142.974   23.822  183.037 RF   39.1 RFZ  4.35

   SOLU TRIAL ENSEMBLE helix_pdb EULER  314.478   36.594  138.184 RF   38.7 RFZ  4.31

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.284   29.802  138.921 RF   38.7 RFZ  4.31

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.019   19.301  140.059 RF   38.7 RFZ  4.31

   SOLU TRIAL ENSEMBLE helix_pdb EULER    8.481   39.091  169.421 RF   38.6 RFZ  4.30

   SOLU TRIAL ENSEMBLE helix_pdb EULER   18.278   35.284  178.634 RF   38.5 RFZ  4.29

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.146   21.334  158.019 RF   38.5 RFZ  4.29

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.053   40.839  168.333 RF   38.2 RFZ  4.26

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.705   21.496  174.199 RF   37.7 RFZ  4.23

   SOLU TRIAL ENSEMBLE helix_pdb EULER  137.402   28.896  179.278 RF   37.6 RFZ  4.21

   SOLU TRIAL ENSEMBLE helix_pdb EULER   36.907   40.964  157.906 RF   37.5 RFZ  4.21

   SOLU TRIAL ENSEMBLE helix_pdb EULER   91.095   26.623  178.792 RF   37.5 RFZ  4.21

   SOLU TRIAL ENSEMBLE helix_pdb EULER  236.330   27.734  133.484 RF   37.4 RFZ  4.20

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.275   24.509  144.981 RF   37.4 RFZ  4.20

   SOLU TRIAL ENSEMBLE helix_pdb EULER  182.089   20.902  172.180 RF   37.3 RFZ  4.19

   SOLU TRIAL ENSEMBLE helix_pdb EULER  234.049   22.834  148.435 RF   37.0 RFZ  4.16

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.886   37.648  169.781 RF   37.0 RFZ  4.16

   SOLU TRIAL ENSEMBLE helix_pdb EULER  262.077   29.241  136.269 RF   36.8 RFZ  4.14

   SOLU TRIAL ENSEMBLE helix_pdb EULER  354.368   39.739  167.493 RF   36.8 RFZ  4.14

   SOLU TRIAL ENSEMBLE helix_pdb EULER  104.510   28.102  184.919 RF   36.7 RFZ  4.14

   SOLU TRIAL ENSEMBLE helix_pdb EULER   38.988   41.208  167.085 RF   36.6 RFZ  4.13

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.646   24.651  136.011 RF   36.6 RFZ  4.13

   SOLU TRIAL ENSEMBLE helix_pdb EULER  338.057   44.857  164.269 RF   36.6 RFZ  4.12

   SOLU TRIAL ENSEMBLE helix_pdb EULER  306.433   35.716  136.967 RF   36.4 RFZ  4.11

   SOLU TRIAL ENSEMBLE helix_pdb EULER   54.028   42.521  171.211 RF   36.3 RFZ  4.10

   SOLU TRIAL ENSEMBLE helix_pdb EULER  289.372   33.970  135.660 RF   36.2 RFZ  4.09

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.363   25.720  136.983 RF   36.1 RFZ  4.08

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.242   27.811  147.025 RF   36.0 RFZ  4.08

   SOLU TRIAL ENSEMBLE helix_pdb EULER   76.772   24.334  174.071 RF   35.9 RFZ  4.07

   SOLU TRIAL ENSEMBLE helix_pdb EULER  268.973   28.226  139.176 RF   35.9 RFZ  4.07

   SOLU TRIAL ENSEMBLE helix_pdb EULER   21.642   36.352  153.484 RF   35.9 RFZ  4.06

   SOLU TRIAL ENSEMBLE helix_pdb EULER  325.907   37.435  156.554 RF   35.9 RFZ  4.06

   SOLU TRIAL ENSEMBLE helix_pdb EULER   43.722   35.008  181.795 RF   35.8 RFZ  4.05

   SOLU TRIAL ENSEMBLE helix_pdb EULER  250.832   22.213  149.945 RF   35.7 RFZ  4.05

   SOLU TRIAL ENSEMBLE helix_pdb EULER  301.823   39.034  152.603 RF   35.7 RFZ  4.04

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   35.5 RFZ  4.03

   SOLU TRIAL ENSEMBLE helix_pdb EULER   75.543   34.372  177.065 RF   35.5 RFZ  4.02

   SOLU TRIAL ENSEMBLE helix_pdb EULER  190.390   22.865  140.172 RF   35.3 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_pdb EULER  150.253   21.643  162.967 RF   35.3 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.610   38.398  177.533 RF   35.3 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_pdb EULER  118.421   22.627  168.115 RF   35.3 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_pdb EULER   18.159   41.784  147.938 RF   35.3 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.176   37.213  170.720 RF   35.2 RFZ  4.00

   SOLU TRIAL ENSEMBLE helix_pdb EULER  187.525   17.786  142.755 RF   35.2 RFZ  4.00

   SOLU TRIAL ENSEMBLE helix_pdb EULER  216.502   28.412  146.594 RF   35.2 RFZ  4.00

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   34.9 RFZ  3.97

   SOLU TRIAL ENSEMBLE helix_pdb EULER   97.481   23.397  171.231 RF   34.9 RFZ  3.97

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   34.8 RFZ  3.97

   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   34.7 RFZ  3.96

   SOLU TRIAL ENSEMBLE helix_pdb EULER  110.476   25.172  177.354 RF   34.7 RFZ  3.96

   SOLU TRIAL ENSEMBLE helix_pdb EULER    7.035   35.908  152.205 RF   34.7 RFZ  3.96

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   34.7 RFZ  3.95

   SOLU TRIAL ENSEMBLE helix_pdb EULER  355.239   42.563  144.475 RF   34.5 RFZ  3.94

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.550   36.699  171.553 RF   34.5 RFZ  3.94

   SOLU TRIAL ENSEMBLE helix_pdb EULER  200.327   18.447  139.629 RF   34.4 RFZ  3.93

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   34.4 RFZ  3.93

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   34.3 RFZ  3.92

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.201   37.089  156.639 RF   34.3 RFZ  3.92

   SOLU TRIAL ENSEMBLE helix_pdb EULER  223.509   22.470  150.081 RF   34.3 RFZ  3.92

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.048   25.491  167.764 RF   34.2 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.380   41.457  174.207 RF   34.2 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   34.1 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER  171.684   16.855  170.822 RF   34.1 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER  342.580   37.567  158.308 RF   34.1 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER   67.196   35.100  176.231 RF   34.1 RFZ  3.90

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   34.0 RFZ  3.89

   SOLU TRIAL ENSEMBLE helix_pdb EULER  158.230   17.581  174.638 RF   33.9 RFZ  3.89

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   33.9 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER  349.048   39.802  150.843 RF   33.9 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER  284.136   25.681  143.005 RF   33.8 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER   78.074   27.449  152.716 RF   33.8 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.831   44.441  159.168 RF   33.8 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.257   30.048  168.017 RF   33.8 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   33.7 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.095   16.234  158.489 RF   33.7 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   33.6 RFZ  3.86

   SOLU TRIAL ENSEMBLE helix_pdb EULER  338.810   41.231  141.580 RF   33.6 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   33.5 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_pdb EULER   49.297   26.781  154.576 RF   33.5 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.230   37.252  135.850 RF   33.5 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_pdb EULER  110.714   28.500  188.868 RF   33.5 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.102   28.670  161.029 RF   33.4 RFZ  3.84

   SOLU TRIAL ENSEMBLE helix_pdb EULER  124.161   23.210  171.923 RF   33.4 RFZ  3.84

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.443   33.020  183.482 RF   33.4 RFZ  3.84

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.874   43.759  151.347 RF   33.3 RFZ  3.83

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   33.3 RFZ  3.83

   SOLU TRIAL ENSEMBLE helix_pdb EULER   50.753   44.918  163.751 RF   33.3 RFZ  3.83

   SOLU TRIAL ENSEMBLE helix_pdb EULER  201.891   28.362  141.555 RF   33.2 RFZ  3.83

   SOLU TRIAL ENSEMBLE helix_pdb EULER  293.608   38.759  151.547 RF   33.1 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER   67.116   25.032  174.740 RF   33.1 RFZ  3.81

   SOLU TRIAL ENSEMBLE helix_pdb EULER  139.502   30.142  154.811 RF   33.0 RFZ  3.81

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   33.0 RFZ  3.81

   SOLU TRIAL ENSEMBLE helix_pdb EULER  253.287   30.342  146.391 RF   33.0 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  161.110   21.575  160.991 RF   33.0 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   32.9 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   32.9 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.895   37.760  175.243 RF   32.9 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  218.043   20.890  130.003 RF   32.9 RFZ  3.79

   SOLU TRIAL ENSEMBLE helix_pdb EULER  340.034   32.178  141.239 RF   32.8 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   32.7 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER   26.516   33.683  170.150 RF   32.7 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.791   32.132  146.853 RF   32.7 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  353.579   30.665  168.047 RF   32.6 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   32.6 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.390   26.272  160.820 RF   32.5 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.791   30.761  150.363 RF   32.5 RFZ  3.76

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   32.4 RFZ  3.75

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   32.3 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.306   29.978  154.977 RF   32.3 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   32.0 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER  327.436   46.372  154.002 RF   32.0 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER  357.916   33.625  142.165 RF   32.0 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   31.9 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER   46.892   28.603  167.417 RF   31.8 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   31.8 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   31.8 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_pdb EULER  177.081   30.634  164.104 RF   31.7 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   31.7 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   31.6 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER   18.429   45.087  157.304 RF   31.6 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER    7.575   37.533  160.953 RF   31.6 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  198.769   25.167  166.840 RF   31.5 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  166.265   21.735  165.544 RF   31.5 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.581   30.297  164.048 RF   31.5 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   31.5 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  336.110   35.890  166.557 RF   31.5 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  146.950   17.142  166.308 RF   31.4 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.739   31.985  184.348 RF   31.4 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.341   38.390  150.559 RF   31.4 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.474   32.698  151.429 RF   31.4 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   31.4 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.036   32.648  147.192 RF   31.3 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   31.1 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  189.240   22.051  150.334 RF   31.1 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  253.473   26.057  125.285 RF   31.1 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.110   30.878  154.447 RF   31.0 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.762   31.367  167.872 RF   31.0 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  228.391   26.699  154.562 RF   31.0 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   31.0 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   31.0 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   30.9 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.256   34.524  149.387 RF   30.9 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.974   29.645  155.250 RF   30.9 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   30.8 RFZ  3.61

   SOLU TRIAL ENSEMBLE helix_pdb EULER  218.547   18.161  145.862 RF   30.8 RFZ  3.61

   SOLU TRIAL ENSEMBLE helix_pdb EULER  303.734   26.969  141.347 RF   30.7 RFZ  3.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.864   26.397  175.935 RF   30.6 RFZ  3.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER  320.955   40.762  162.779 RF   30.6 RFZ  3.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.962   41.460  165.780 RF   30.6 RFZ  3.59

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   30.6 RFZ  3.59

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.768   30.768  159.195 RF   30.5 RFZ  3.59

   SOLU TRIAL ENSEMBLE helix_pdb EULER  278.380   39.979  147.563 RF   30.4 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_pdb EULER   24.159   35.208  146.586 RF   30.4 RFZ  3.57

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   30.3 RFZ  3.57

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.828   31.579  154.758 RF   30.2 RFZ  3.56

   SOLU TRIAL ENSEMBLE helix_pdb EULER  358.877   42.099  160.512 RF   30.2 RFZ  3.56

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.453   30.103  184.838 RF   30.2 RFZ  3.56

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.928   35.326  159.192 RF   30.1 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.296   30.768  159.195 RF   30.1 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.844   29.075  162.258 RF   30.1 RFZ  3.55 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.785   35.143  156.723 RF   30.0 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   30.0 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  233.342   30.768  159.195 RF   30.0 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   30.0 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   29.9 RFZ  3.53 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.220   27.248  131.429 RF   29.8 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.946   24.365  161.788 RF   29.8 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  131.617   36.655  164.234 RF   29.8 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   29.8 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.743   34.377  143.791 RF   29.8 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.032   30.768  159.195 RF   29.8 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   29.7 RFZ  3.51 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  106.282   35.681  173.279 RF   29.6 RFZ  3.50 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   29.5 RFZ  3.50 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   15.917   37.423  161.819 RF   29.5 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.561   28.504  159.572 RF   29.4 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   29.4 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.097   37.037  173.718 RF   29.3 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  343.011   46.635  157.436 RF   29.3 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.722   30.768  159.195 RF   29.3 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   29.3 RFZ  3.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  313.485   26.129  131.075 RF   29.2 RFZ  3.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.047   28.565  158.082 RF   29.2 RFZ  3.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.664   30.768  159.195 RF   29.2 RFZ  3.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   29.1 RFZ  3.46 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.392   32.726  161.404 RF   29.1 RFZ  3.46 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    4.833   44.857  154.555 RF   29.0 RFZ  3.45 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.863   27.322  179.360 RF   28.9 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.109   33.304  152.137 RF   28.9 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  359.706   33.033  159.523 RF   28.9 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   28.8 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.762   16.527  177.375 RF   28.8 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   22.995   33.287  142.760 RF   28.8 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   28.7 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  233.459   23.584  125.904 RF   28.7 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   28.7 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  126.009   21.007  190.753 RF   28.7 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.808   30.784  187.542 RF   28.6 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  274.252   35.922  130.731 RF   28.6 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   28.6 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   28.6 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  172.249   26.031  175.375 RF   28.5 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  181.693   26.185  158.293 RF   28.5 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   59.341   34.557  163.960 RF   28.5 RFZ  3.40 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  137.842   32.059  167.509 RF   28.5 RFZ  3.40 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.720   17.573  148.852 RF   28.5 RFZ  3.40 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   29.925   26.470  156.022 RF   28.4 RFZ  3.40 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.618   30.768  159.195 RF   28.3 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  100.104   34.745  169.496 RF   28.3 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   28.3 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.730   37.513  173.361 RF   28.1 RFZ  3.37 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   28.0 RFZ  3.36 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  278.572   30.768  159.195 RF   27.8 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  245.347   32.164  155.672 RF   27.8 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.808   32.877  160.804 RF   27.7 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.823   21.941  184.278 RF   27.7 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   25.075   35.127  161.652 RF   27.7 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   27.7 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   75.138   27.668  166.219 RF   27.6 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  312.823   27.721  141.301 RF   27.6 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   57.215   23.048  184.882 RF   27.6 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   27.6 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.355   26.193  160.767 RF   27.6 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   27.6 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.699   38.142  132.918 RF   27.5 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  261.961   38.896  145.291 RF   27.5 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.110   12.358  151.504 RF   27.4 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  345.892   39.456  134.657 RF   27.4 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  354.850   48.818  167.215 RF   27.3 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.900   42.505  150.379 RF   27.3 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.150   30.735  150.055 RF   27.3 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.543   27.342  165.815 RF   27.2 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.626   43.566  148.058 RF   27.2 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.062   29.180  141.228 RF   27.1 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  112.575   36.352  177.116 RF   27.1 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  253.770   38.412  144.024 RF   27.1 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.169   32.279  155.943 RF   27.1 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    6.601   44.316  162.239 RF   27.0 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.480   30.768  159.195 RF   26.9 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    7.988   32.116  142.052 RF   26.9 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   26.9 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  184.225   22.477  136.978 RF   26.8 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    0.508   32.395  174.493 RF   26.8 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   26.8 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   26.8 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  132.877   26.423  162.328 RF   26.8 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   26.8 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  253.329   16.322  128.405 RF   26.7 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.241   22.761  147.523 RF   26.7 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  161.588   31.354  172.956 RF   26.7 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   26.7 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  258.640   35.499  150.202 RF   26.6 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   26.6 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   26.6 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.203   35.142  161.594 RF   26.6 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  271.409   41.333  144.353 RF   26.6 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.485   36.119  146.020 RF   26.6 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  234.885   35.560  145.227 RF   26.5 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    8.133   48.136  170.494 RF   26.5 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   26.5 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.583   29.426  173.150 RF   26.5 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.892   33.430  171.221 RF   26.4 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   26.4 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  112.940   20.739  184.014 RF   26.4 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  117.331   33.855  170.580 RF   26.3 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  268.812   37.670  148.534 RF   26.2 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.577   20.678  156.967 RF   26.2 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  117.584   30.768  159.195 RF   26.2 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.703   31.517  191.458 RF   26.2 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.894   21.081  121.983 RF   26.1 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.835   22.554  121.990 RF   26.1 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.279   27.013  139.028 RF   26.0 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   26.0 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  356.261   44.091  175.132 RF   26.0 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   49.289   33.293  141.902 RF   26.0 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.649   35.266  161.001 RF   25.9 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  257.473   21.040  152.583 RF   25.9 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  102.303   38.569  179.056 RF   25.9 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  171.916   26.205  159.116 RF   25.9 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   18.341   30.410  143.145 RF   25.9 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   24.571   42.548  173.301 RF   25.8 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.664   28.496  175.086 RF   25.8 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.492   30.768  159.195 RF   25.7 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  282.976   18.262  125.802 RF   25.7 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  171.627   26.120  140.191 RF   25.7 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  338.494   31.758  176.517 RF   25.6 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  321.573   36.216  130.604 RF   25.6 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   22.381   43.947  165.284 RF   25.5 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  100.159   31.252  191.179 RF   25.4 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.345   27.956  138.826 RF   25.4 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.400   30.768  159.195 RF   25.4 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  295.017   28.561  150.814 RF   25.4 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.339   33.043  166.696 RF   25.3 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   25.3 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  294.878   21.765  122.370 RF   25.3 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  256.782   13.743  134.615 RF   25.3 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   25.2 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.460   21.314  150.409 RF   25.1 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  354.014   46.558  172.421 RF   25.1 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.906   33.123  175.649 RF   25.0 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   25.0 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.097   26.276  176.788 RF   25.0 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  329.976   34.717  175.198 RF   24.9 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  147.239   28.399  136.646 RF   24.9 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.260   29.319  177.032 RF   24.9 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.674   29.315  136.354 RF   24.9 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   24.9 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.309   12.248  146.366 RF   24.9 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   24.9 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   90.446   30.768  159.195 RF   24.8 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  275.612   36.189  151.620 RF   24.8 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  132.112   33.786  175.113 RF   24.7 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  323.258   49.548  159.401 RF   24.7 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.671   17.584  125.897 RF   24.5 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.186   28.930  150.674 RF   24.5 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  100.219   21.636  148.565 RF   24.5 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.090   40.928  150.040 RF   24.4 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.732   40.369  165.315 RF   24.4 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.853   17.042  135.121 RF   24.3 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   24.3 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  193.813   33.025  138.297 RF   24.3 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  175.253   30.462  175.179 RF   24.3 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   24.2 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  265.244   34.120  153.403 RF   24.2 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.647   47.824  151.290 RF   24.1 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.583   40.879  160.397 RF   24.1 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.323   24.669  141.232 RF   24.0 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.475   47.488  147.891 RF   24.0 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.771   36.460  172.722 RF   23.9 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.674   25.422  121.088 RF   23.8 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.720   40.659  173.356 RF   23.6 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.387   20.578  161.440 RF   23.6 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  354.753   35.057  176.155 RF   23.6 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   23.5 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   23.5 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   23.4 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.350   24.444   96.617 RF   23.3 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.388   40.196  156.612 RF   23.3 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   23.3 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.579   40.955  159.133 RF   23.3 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.503   23.357  174.519 RF   23.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.303   26.896  133.601 RF   23.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  150.964   23.516  187.127 RF   23.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  109.395   40.969  157.891 RF   23.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   33.461   49.419  162.623 RF   23.2 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   23.2 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  271.855   32.527  156.428 RF   23.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.760   41.761  152.978 RF   23.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   39.217   24.887  175.166 RF   23.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.978   35.299  140.263 RF   23.1 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.035   34.851  174.050 RF   23.1 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.765   26.601  136.983 RF   23.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.724   13.530   93.504 RF   23.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  312.617   35.970  173.606 RF   23.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.398   57.665  177.443 RF   23.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.463   11.731  223.636 RF   23.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.783   30.176  192.557 RF   23.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.421   32.003  162.877 RF   22.9 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    4.698   37.016  136.079 RF   22.9 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   77.540   40.554  164.094 RF   22.9 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.845   12.423  144.349 RF   22.9 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  123.236   31.689  163.207 RF   22.9 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  279.431   21.677  148.420 RF   22.8 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  106.135   20.592  161.627 RF   22.8 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    2.250   24.787  138.003 RF   22.7 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   18.088   44.278  180.089 RF   22.6 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   83.122   33.725  189.808 RF   22.6 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.262   28.939  129.773 RF   22.6 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  295.961   26.173  120.258 RF   22.4 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.414    5.368  211.612 RF   22.4 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  349.103   30.540  132.244 RF   22.4 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   67.853   45.121  177.517 RF   22.4 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  173.721   21.562  138.206 RF   22.4 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   58.687   41.572  152.743 RF   22.4 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   12.483   21.810  155.358 RF   22.3 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  271.321   28.944  125.698 RF   22.3 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.705   28.038  181.965 RF   22.2 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  215.420   15.592  125.650 RF   22.2 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.105   29.162  138.969 RF   22.2 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.526   31.131  133.953 RF   22.2 RFZ  2.84 # DEEP


   This TF set has 396 trial orientations


   #    Euler                  Rot-LLG      RF     RFZ  Ensemble
   1      35.7   33.6  180.1      43.4    43.4     4.7 helix_pdb
   2     132.6   24.8  184.1      42.7    42.7     4.7 helix_pdb
   3     263.5   21.1  136.3      42.3    42.3     4.6 helix_pdb
   4     272.2   32.1  134.6      42.0    42.0     4.6 helix_pdb
   5     239.7   32.0  139.9      41.8    41.8     4.6 helix_pdb
   6     118.9   30.7  179.4      41.5    41.5     4.6 helix_pdb
   7     245.9   28.8  133.3      41.5    41.5     4.6 helix_pdb
   8     310.8   41.5  152.5      41.4    41.4     4.6 helix_pdb
   9     330.7   38.3  140.5      40.5    40.5     4.5 helix_pdb
   10    319.3   44.0  153.0      40.5    40.5     4.5 helix_pdb
   11     63.2   40.0  170.8      39.8    39.8     4.4 helix_pdb
   12    307.8   37.6  145.6      39.7    39.7     4.4 helix_pdb
   13     13.6   39.0  148.1      39.7    39.7     4.4 helix_pdb
   14      4.3   40.9  145.7      39.5    39.5     4.4 helix_pdb
   15    334.8   42.1  156.5      39.4    39.4     4.4 helix_pdb
   16    299.6   37.0  144.5      39.3    39.3     4.4 helix_pdb
   17    143.0   23.8  183.0      39.1    39.1     4.4 helix_pdb
   18    314.5   36.6  138.2      38.7    38.7     4.3 helix_pdb
   19    287.3   29.8  138.9      38.7    38.7     4.3 helix_pdb
   20    242.0   19.3  140.1      38.7    38.7     4.3 helix_pdb
   21      8.5   39.1  169.4      38.6    38.6     4.3 helix_pdb
   22     18.3   35.3  178.6      38.5    38.5     4.3 helix_pdb
   23    207.1   21.3  158.0      38.5    38.5     4.3 helix_pdb
   24     47.1   40.8  168.3      38.2    38.2     4.3 helix_pdb
   25    170.7   21.5  174.2      37.7    37.7     4.2 helix_pdb
   26    137.4   28.9  179.3      37.6    37.6     4.2 helix_pdb
   27     36.9   41.0  157.9      37.5    37.5     4.2 helix_pdb
   28     91.1   26.6  178.8      37.5    37.5     4.2 helix_pdb
   29    236.3   27.7  133.5      37.4    37.4     4.2 helix_pdb
   30    264.3   24.5  145.0      37.4    37.4     4.2 helix_pdb
   31    182.1   20.9  172.2      37.3    37.3     4.2 helix_pdb
   32    234.0   22.8  148.4      37.0    37.0     4.2 helix_pdb
   33     72.9   37.6  169.8      37.0    37.0     4.2 helix_pdb
   34    262.1   29.2  136.3      36.8    36.8     4.1 helix_pdb
   35    354.4   39.7  167.5      36.8    36.8     4.1 helix_pdb
   36    104.5   28.1  184.9      36.7    36.7     4.1 helix_pdb
   37     39.0   41.2  167.1      36.6    36.6     4.1 helix_pdb
   38    209.6   24.7  136.0      36.6    36.6     4.1 helix_pdb
   39    338.1   44.9  164.3      36.6    36.6     4.1 helix_pdb
   40    306.4   35.7  137.0      36.4    36.4     4.1 helix_pdb
   41     54.0   42.5  171.2      36.3    36.3     4.1 helix_pdb
   42    289.4   34.0  135.7      36.2    36.2     4.1 helix_pdb
   43    224.4   25.7  137.0      36.1    36.1     4.1 helix_pdb
   44    206.2   27.8  147.0      36.0    36.0     4.1 helix_pdb
   45     76.8   24.3  174.1      35.9    35.9     4.1 helix_pdb
   46    269.0   28.2  139.2      35.9    35.9     4.1 helix_pdb
   47     21.6   36.4  153.5      35.9    35.9     4.1 helix_pdb
   48    325.9   37.4  156.6      35.9    35.9     4.1 helix_pdb
   49     43.7   35.0  181.8      35.8    35.8     4.1 helix_pdb
   50    250.8   22.2  149.9      35.7    35.7     4.0 helix_pdb
   51    301.8   39.0  152.6      35.7    35.7     4.0 helix_pdb
   52    125.0   29.0  150.7      35.5    35.5     4.0 helix_pdb
   53     75.5   34.4  177.1      35.5    35.5     4.0 helix_pdb
   54    190.4   22.9  140.2      35.3    35.3     4.0 helix_pdb
   55    150.3   21.6  163.0      35.3    35.3     4.0 helix_pdb
   56      9.6   38.4  177.5      35.3    35.3     4.0 helix_pdb
   57    118.4   22.6  168.1      35.3    35.3     4.0 helix_pdb
   58     18.2   41.8  147.9      35.3    35.3     4.0 helix_pdb
   59     81.2   37.2  170.7      35.2    35.2     4.0 helix_pdb
   60    187.5   17.8  142.8      35.2    35.2     4.0 helix_pdb
   61    216.5   28.4  146.6      35.2    35.2     4.0 helix_pdb
   62     68.5   27.2  153.3      34.9    34.9     4.0 helix_pdb
   63     97.5   23.4  171.2      34.9    34.9     4.0 helix_pdb
   64     86.2   34.2  153.4      34.8    34.8     4.0 helix_pdb
   65     61.8   25.2  150.8      34.7    34.7     4.0 helix_pdb
   66    110.5   25.2  177.4      34.7    34.7     4.0 helix_pdb
   67      7.0   35.9  152.2      34.7    34.7     4.0 helix_pdb
   68    154.7   35.4  158.0      34.7    34.7     4.0 helix_pdb
   69    355.2   42.6  144.5      34.5    34.5     3.9 helix_pdb
   70     89.5   36.7  171.6      34.5    34.5     3.9 helix_pdb
   71    200.3   18.4  139.6      34.4    34.4     3.9 helix_pdb
   72    254.3   27.7  166.2      34.4    34.4     3.9 helix_pdb
   73    260.3   25.9  169.4      34.3    34.3     3.9 helix_pdb
   74     56.2   37.1  156.6      34.3    34.3     3.9 helix_pdb
   75    223.5   22.5  150.1      34.3    34.3     3.9 helix_pdb
   76    188.0   25.5  167.8      34.2    34.2     3.9 helix_pdb
   77      1.4   41.5  174.2      34.2    34.2     3.9 helix_pdb
   78    152.6   30.0  150.4      34.1    34.1     3.9 helix_pdb
   79    171.7   16.9  170.8      34.1    34.1     3.9 helix_pdb
   80    342.6   37.6  158.3      34.1    34.1     3.9 helix_pdb
   81     67.2   35.1  176.2      34.1    34.1     3.9 helix_pdb
   82    138.4   28.8  146.0      34.0    34.0     3.9 helix_pdb
   83    158.2   17.6  174.6      33.9    33.9     3.9 helix_pdb
   84    119.8   27.8  146.6      33.9    33.9     3.9 helix_pdb
   85    349.0   39.8  150.8      33.9    33.9     3.9 helix_pdb
   86    284.1   25.7  143.0      33.8    33.8     3.9 helix_pdb
   87     78.1   27.4  152.7      33.8    33.8     3.9 helix_pdb
   88    350.8   44.4  159.2      33.8    33.8     3.9 helix_pdb
   89      9.3   30.0  168.0      33.8    33.8     3.9 helix_pdb
   90     42.6   32.8  151.2      33.7    33.7     3.9 helix_pdb
   91    136.1   16.2  158.5      33.7    33.7     3.9 helix_pdb
   92    170.1   30.7  141.5      33.6    33.6     3.9 helix_pdb
   93    338.8   41.2  141.6      33.6    33.6     3.9 helix_pdb
   94    226.1   28.7  167.3      33.5    33.5     3.9 helix_pdb
   95     49.3   26.8  154.6      33.5    33.5     3.9 helix_pdb
   96    260.2   37.3  135.8      33.5    33.5     3.9 helix_pdb
   97    110.7   28.5  188.9      33.5    33.5     3.8 helix_pdb
   98    304.1   28.7  161.0      33.4    33.4     3.8 helix_pdb
   99    124.2   23.2  171.9      33.4    33.4     3.8 helix_pdb
   100    60.4   33.0  183.5      33.4    33.4     3.8 helix_pdb
   101    19.9   43.8  151.3      33.3    33.3     3.8 helix_pdb
   102   311.9   26.5  162.4      33.3    33.3     3.8 helix_pdb
   103    50.8   44.9  163.8      33.3    33.3     3.8 helix_pdb
   104   201.9   28.4  141.6      33.2    33.2     3.8 helix_pdb
   105   293.6   38.8  151.5      33.1    33.1     3.8 helix_pdb
   106    67.1   25.0  174.7      33.1    33.1     3.8 helix_pdb
   107   139.5   30.1  154.8      33.0    33.0     3.8 helix_pdb
   108    94.9   34.5  153.8      33.0    33.0     3.8 helix_pdb
   109   253.3   30.3  146.4      33.0    33.0     3.8 helix_pdb
   110   161.1   21.6  161.0      33.0    33.0     3.8 helix_pdb
   111   161.0   30.0  141.4      32.9    32.9     3.8 helix_pdb
   112   316.8   32.1  167.6      32.9    32.9     3.8 helix_pdb
   113    95.9   37.8  175.2      32.9    32.9     3.8 helix_pdb
   114   218.0   20.9  130.0      32.9    32.9     3.8 helix_pdb
   115   340.0   32.2  141.2      32.8    32.8     3.8 helix_pdb
   116   290.4   33.1  166.7      32.7    32.7     3.8 helix_pdb
   117    26.5   33.7  170.1      32.7    32.7     3.8 helix_pdb
   118   194.8   32.1  146.9      32.7    32.7     3.8 helix_pdb
   119   353.6   30.7  168.0      32.6    32.6     3.8 helix_pdb
   120   144.5   34.2  148.9      32.6    32.6     3.8 helix_pdb
   121   331.4   26.3  160.8      32.5    32.5     3.8 helix_pdb
   122   170.8   30.8  150.4      32.5    32.5     3.8 helix_pdb
   123   322.8   28.6  160.3      32.4    32.4     3.8 helix_pdb
   124   331.0   25.5  151.2      32.3    32.3     3.7 helix_pdb
   125   130.3   30.0  155.0      32.3    32.3     3.7 helix_pdb
   126   231.2   27.3  171.5      32.0    32.0     3.7 helix_pdb
   127   327.4   46.4  154.0      32.0    32.0     3.7 helix_pdb
   128   357.9   33.6  142.2      32.0    32.0     3.7 helix_pdb
   129   281.6   33.4  166.5      31.9    31.9     3.7 helix_pdb
   130    46.9   28.6  167.4      31.8    31.8     3.7 helix_pdb
   131    65.1   29.9  146.5      31.8    31.8     3.7 helix_pdb
   132   248.3   29.3  162.7      31.8    31.8     3.7 helix_pdb
   133   177.1   30.6  164.1      31.7    31.7     3.7 helix_pdb
   134   105.0   25.8  143.1      31.7    31.7     3.7 helix_pdb
   135    95.2   25.2  143.9      31.6    31.6     3.7 helix_pdb
   136    18.4   45.1  157.3      31.6    31.6     3.7 helix_pdb
   137     7.6   37.5  161.0      31.6    31.6     3.7 helix_pdb
   138   198.8   25.2  166.8      31.5    31.5     3.7 helix_pdb
   139   166.3   21.7  165.5      31.5    31.5     3.7 helix_pdb
   140   192.6   30.3  164.0      31.5    31.5     3.7 helix_pdb
   141    72.9   36.8  146.8      31.5    31.5     3.7 helix_pdb
   142   336.1   35.9  166.6      31.5    31.5     3.7 helix_pdb
   143   147.0   17.1  166.3      31.4    31.4     3.7 helix_pdb
   144    68.7   32.0  184.3      31.4    31.4     3.7 helix_pdb
   145   285.3   38.4  150.6      31.4    31.4     3.7 helix_pdb
   146   221.5   32.7  151.4      31.4    31.4     3.7 helix_pdb
   147   240.9   26.8  170.8      31.4    31.4     3.7 helix_pdb
   148   204.0   32.6  147.2      31.3    31.3     3.7 helix_pdb
   149   114.5   26.4  142.5      31.1    31.1     3.6 helix_pdb
   150   189.2   22.1  150.3      31.1    31.1     3.6 helix_pdb
   151   253.5   26.1  125.3      31.1    31.1     3.6 helix_pdb
   152   176.1   30.9  154.4      31.0    31.0     3.6 helix_pdb
   153   155.8   31.4  167.9      31.0    31.0     3.6 helix_pdb
   154   228.4   26.7  154.6      31.0    31.0     3.6 helix_pdb
   155    30.4   24.9  165.3      31.0    31.0     3.6 helix_pdb
   156    10.7   27.0  148.4      31.0    31.0     3.6 helix_pdb
   157   238.5   34.6  163.9      30.9    30.9     3.6 helix_pdb
   158   332.3   34.5  149.4      30.9    30.9     3.6 helix_pdb
   159   112.0   29.6  155.3      30.9    30.9     3.6 helix_pdb
   160    66.9   34.6  143.2      30.8    30.8     3.6 helix_pdb
   161   218.5   18.2  145.9      30.8    30.8     3.6 helix_pdb
   162   303.7   27.0  141.3      30.7    30.7     3.6 helix_pdb
   163    47.9   26.4  175.9      30.6    30.6     3.6 helix_pdb
   164   321.0   40.8  162.8      30.6    30.6     3.6 helix_pdb
   165    31.0   41.5  165.8      30.6    30.6     3.6 helix_pdb
   166    89.7   37.8  148.5      30.6    30.6     3.6 helix_pdb
   167   153.8   30.8  159.2      30.5    30.5     3.6 helix_pdb
   168   278.4   40.0  147.6      30.4    30.4     3.6 helix_pdb
   169    24.2   35.2  146.6      30.4    30.4     3.6 helix_pdb
   170   179.4   35.7  151.0      30.3    30.3     3.6 helix_pdb
   171   209.8   31.6  154.8      30.2    30.2     3.6 helix_pdb
   172   358.9   42.1  160.5      30.2    30.2     3.6 helix_pdb
   173    86.5   30.1  184.8      30.2    30.2     3.6 helix_pdb
   174   350.9   35.3  159.2      30.1    30.1     3.6 helix_pdb
   175   224.3   30.8  159.2      30.1    30.1     3.5 helix_pdb
   ----- angles below here for deep search only -----
   176   266.8   29.1  162.3      30.1    30.1     3.5 helix_pdb
   177   316.8   35.1  156.7      30.0    30.0     3.5 helix_pdb
   178    41.8   24.6  152.9      30.0    30.0     3.5 helix_pdb
   179   233.3   30.8  159.2      30.0    30.0     3.5 helix_pdb
   180   133.6   27.8  141.5      30.0    30.0     3.5 helix_pdb
   181   207.4   29.4  167.8      29.9    29.9     3.5 helix_pdb
   182   322.2   27.2  131.4      29.8    29.8     3.5 helix_pdb
   183   239.9   24.4  161.8      29.8    29.8     3.5 helix_pdb
   184   131.6   36.7  164.2      29.8    29.8     3.5 helix_pdb
   185   350.9   26.2  159.2      29.8    29.8     3.5 helix_pdb
   186    37.7   34.4  143.8      29.8    29.8     3.5 helix_pdb
   187     9.0   30.8  159.2      29.8    29.8     3.5 helix_pdb
   188    98.1   38.3  149.4      29.7    29.7     3.5 helix_pdb
   189   106.3   35.7  173.3      29.6    29.6     3.5 helix_pdb
   190   332.6   27.0  170.3      29.5    29.5     3.5 helix_pdb
   191    15.9   37.4  161.8      29.5    29.5     3.5 helix_pdb
   192   341.6   28.5  159.6      29.4    29.4     3.5 helix_pdb
   193    56.3   20.6  156.8      29.4    29.4     3.5 helix_pdb
   194    42.1   37.0  173.7      29.3    29.3     3.5 helix_pdb
   195   343.0   46.6  157.4      29.3    29.3     3.5 helix_pdb
   196   144.7   30.8  159.2      29.3    29.3     3.5 helix_pdb
   197   266.4   24.0  172.4      29.3    29.3     3.5 helix_pdb
   198   313.5   26.1  131.1      29.2    29.2     3.5 helix_pdb
   199    19.0   28.6  158.1      29.2    29.2     3.5 helix_pdb
   200   296.7   30.8  159.2      29.2    29.2     3.5 helix_pdb
   201   136.3   40.2  158.3      29.1    29.1     3.5 helix_pdb
   202    52.4   32.7  161.4      29.1    29.1     3.5 helix_pdb
   203     4.8   44.9  154.6      29.0    29.0     3.5 helix_pdb
   204   156.9   27.3  179.4      28.9    28.9     3.4 helix_pdb
   205   239.1   33.3  152.1      28.9    28.9     3.4 helix_pdb
   206   359.7   33.0  159.5      28.9    28.9     3.4 helix_pdb
   207   217.5   27.2  176.3      28.8    28.8     3.4 helix_pdb
   208   174.8   16.5  177.4      28.8    28.8     3.4 helix_pdb
   209    23.0   33.3  142.8      28.8    28.8     3.4 helix_pdb
   210   165.5   35.6  167.6      28.7    28.7     3.4 helix_pdb
   211   233.5   23.6  125.9      28.7    28.7     3.4 helix_pdb
   212   130.9   39.3  153.8      28.7    28.7     3.4 helix_pdb
   213   126.0   21.0  190.8      28.7    28.7     3.4 helix_pdb
   214    27.8   30.8  187.5      28.6    28.6     3.4 helix_pdb
   215   274.3   35.9  130.7      28.6    28.6     3.4 helix_pdb
   216    27.1   27.8  147.5      28.6    28.6     3.4 helix_pdb
   217   174.8   35.2  168.2      28.6    28.6     3.4 helix_pdb
   218   172.2   26.0  175.4      28.5    28.5     3.4 helix_pdb
   219   181.7   26.2  158.3      28.5    28.5     3.4 helix_pdb
   220    59.3   34.6  164.0      28.5    28.5     3.4 helix_pdb
   221   137.8   32.1  167.5      28.5    28.5     3.4 helix_pdb
   222   206.7   17.6  148.9      28.5    28.5     3.4 helix_pdb
   223    29.9   26.5  156.0      28.4    28.4     3.4 helix_pdb
   224   287.6   30.8  159.2      28.3    28.3     3.4 helix_pdb
   225   100.1   34.7  169.5      28.3    28.3     3.4 helix_pdb
   226   114.5   38.8  151.6      28.3    28.3     3.4 helix_pdb
   227   352.7   37.5  173.4      28.1    28.1     3.4 helix_pdb
   228     1.1   24.0  157.9      28.0    28.0     3.4 helix_pdb
   229   278.6   30.8  159.2      27.8    27.8     3.3 helix_pdb
   230   245.3   32.2  155.7      27.8    27.8     3.3 helix_pdb
   231    34.8   32.9  160.8      27.7    27.7     3.3 helix_pdb
   232    66.8   21.9  184.3      27.7    27.7     3.3 helix_pdb
   233    25.1   35.1  161.7      27.7    27.7     3.3 helix_pdb
   234   188.5   36.1  151.9      27.7    27.7     3.3 helix_pdb
   235    75.1   27.7  166.2      27.6    27.6     3.3 helix_pdb
   236   312.8   27.7  141.3      27.6    27.6     3.3 helix_pdb
   237    57.2   23.0  184.9      27.6    27.6     3.3 helix_pdb
   238   351.9   21.7  148.5      27.6    27.6     3.3 helix_pdb
   239   152.4   26.2  160.8      27.6    27.6     3.3 helix_pdb
   240   207.9   27.9  176.7      27.6    27.6     3.3 helix_pdb
   241   290.7   38.1  132.9      27.5    27.5     3.3 helix_pdb
   242   262.0   38.9  145.3      27.5    27.5     3.3 helix_pdb
   243   204.1   12.4  151.5      27.4    27.4     3.3 helix_pdb
   244   345.9   39.5  134.7      27.4    27.4     3.3 helix_pdb
   245   354.9   48.8  167.2      27.3    27.3     3.3 helix_pdb
   246    31.9   42.5  150.4      27.3    27.3     3.3 helix_pdb
   247   350.2   30.7  150.1      27.3    27.3     3.3 helix_pdb
   248    84.5   27.3  165.8      27.2    27.2     3.3 helix_pdb
   249   332.6   43.6  148.1      27.2    27.2     3.3 helix_pdb
   250   331.1   29.2  141.2      27.1    27.1     3.3 helix_pdb
   251   112.6   36.4  177.1      27.1    27.1     3.3 helix_pdb
   252   253.8   38.4  144.0      27.1    27.1     3.3 helix_pdb
   253   254.2   32.3  155.9      27.1    27.1     3.3 helix_pdb
   254     6.6   44.3  162.2      27.0    27.0     3.3 helix_pdb
   255   260.5   30.8  159.2      26.9    26.9     3.3 helix_pdb
   256     8.0   32.1  142.1      26.9    26.9     3.3 helix_pdb
   257   335.6   60.2  153.7      26.9    26.9     3.3 helix_pdb
   258   184.2   22.5  137.0      26.8    26.8     3.3 helix_pdb
   259     0.5   32.4  174.5      26.8    26.8     3.3 helix_pdb
   260   246.3   25.1  174.6      26.8    26.8     3.3 helix_pdb
   261   221.3   35.0  162.8      26.8    26.8     3.3 helix_pdb
   262   132.9   26.4  162.3      26.8    26.8     3.3 helix_pdb
   263   276.5   23.5  171.3      26.8    26.8     3.3 helix_pdb
   264   253.3   16.3  128.4      26.7    26.7     3.3 helix_pdb
   265   207.2   22.8  147.5      26.7    26.7     3.3 helix_pdb
   266   161.6   31.4  173.0      26.7    26.7     3.2 helix_pdb
   267   243.8   38.1  168.7      26.7    26.7     3.2 helix_pdb
   268   258.6   35.5  150.2      26.6    26.6     3.2 helix_pdb
   269   168.9   35.3  142.5      26.6    26.6     3.2 helix_pdb
   270   168.8   39.9  163.1      26.6    26.6     3.2 helix_pdb
   271   204.2   35.1  161.6      26.6    26.6     3.2 helix_pdb
   272   271.4   41.3  144.4      26.6    26.6     3.2 helix_pdb
   273   243.5   36.1  146.0      26.6    26.6     3.2 helix_pdb
   274   234.9   35.6  145.2      26.5    26.5     3.2 helix_pdb
   275     8.1   48.1  170.5      26.5    26.5     3.2 helix_pdb
   276   286.9   23.0  169.8      26.5    26.5     3.2 helix_pdb
   277   192.6   29.4  173.2      26.5    26.5     3.2 helix_pdb
   278   125.9   33.4  171.2      26.4    26.4     3.2 helix_pdb
   279   302.5   34.5  174.6      26.4    26.4     3.2 helix_pdb
   280   112.9   20.7  184.0      26.4    26.4     3.2 helix_pdb
   281   117.3   33.9  170.6      26.3    26.3     3.2 helix_pdb
   282   268.8   37.7  148.5      26.2    26.2     3.2 helix_pdb
   283   128.6   20.7  157.0      26.2    26.2     3.2 helix_pdb
   284   117.6   30.8  159.2      26.2    26.2     3.2 helix_pdb
   285    52.7   31.5  191.5      26.2    26.2     3.2 helix_pdb
   286   276.9   21.1  122.0      26.1    26.1     3.2 helix_pdb
   287   285.8   22.6  122.0      26.1    26.1     3.2 helix_pdb
   288    31.3   27.0  139.0      26.0    26.0     3.2 helix_pdb
   289   296.4   20.6  159.3      26.0    26.0     3.2 helix_pdb
   290   356.3   44.1  175.1      26.0    26.0     3.2 helix_pdb
   291    49.3   33.3  141.9      26.0    26.0     3.2 helix_pdb
   292   195.6   35.3  161.0      25.9    25.9     3.2 helix_pdb
   293   257.5   21.0  152.6      25.9    25.9     3.2 helix_pdb
   294   102.3   38.6  179.1      25.9    25.9     3.2 helix_pdb
   295   171.9   26.2  159.1      25.9    25.9     3.2 helix_pdb
   296    18.3   30.4  143.1      25.9    25.9     3.2 helix_pdb
   297    24.6   42.5  173.3      25.8    25.8     3.2 helix_pdb
   298   350.7   28.5  175.1      25.8    25.8     3.2 helix_pdb
   299    99.5   30.8  159.2      25.7    25.7     3.2 helix_pdb
   300   283.0   18.3  125.8      25.7    25.7     3.2 helix_pdb
   301   171.6   26.1  140.2      25.7    25.7     3.2 helix_pdb
   302   338.5   31.8  176.5      25.6    25.6     3.2 helix_pdb
   303   321.6   36.2  130.6      25.6    25.6     3.1 helix_pdb
   304    22.4   43.9  165.3      25.5    25.5     3.1 helix_pdb
   305   100.2   31.3  191.2      25.4    25.4     3.1 helix_pdb
   306   192.3   28.0  138.8      25.4    25.4     3.1 helix_pdb
   307    81.4   30.8  159.2      25.4    25.4     3.1 helix_pdb
   308   295.0   28.6  150.8      25.4    25.4     3.1 helix_pdb
   309   111.3   33.0  166.7      25.3    25.3     3.1 helix_pdb
   310   219.0   39.2  165.8      25.3    25.3     3.1 helix_pdb
   311   294.9   21.8  122.4      25.3    25.3     3.1 helix_pdb
   312   256.8   13.7  134.6      25.3    25.3     3.1 helix_pdb
   313   285.3   35.8  173.3      25.2    25.2     3.1 helix_pdb
   314    89.5   21.3  150.4      25.1    25.1     3.1 helix_pdb
   315   354.0   46.6  172.4      25.1    25.1     3.1 helix_pdb
   316   140.9   33.1  175.6      25.0    25.0     3.1 helix_pdb
   317   155.4   40.0  157.0      25.0    25.0     3.1 helix_pdb
   318    19.1   26.3  176.8      25.0    25.0     3.1 helix_pdb
   319   330.0   34.7  175.2      24.9    24.9     3.1 helix_pdb
   320   147.2   28.4  136.6      24.9    24.9     3.1 helix_pdb
   321     9.3   29.3  177.0      24.9    24.9     3.1 helix_pdb
   322   156.7   29.3  136.4      24.9    24.9     3.1 helix_pdb
   323   260.3   37.3  170.7      24.9    24.9     3.1 helix_pdb
   324   227.3   12.2  146.4      24.9    24.9     3.1 helix_pdb
   325   248.5   40.7  162.8      24.9    24.9     3.1 helix_pdb
   326    90.4   30.8  159.2      24.8    24.8     3.1 helix_pdb
   327   275.6   36.2  151.6      24.8    24.8     3.1 helix_pdb
   328   132.1   33.8  175.1      24.7    24.7     3.1 helix_pdb
   329   323.3   49.5  159.4      24.7    24.7     3.1 helix_pdb
   330   264.7   17.6  125.9      24.5    24.5     3.1 helix_pdb
   331   304.2   28.9  150.7      24.5    24.5     3.1 helix_pdb
   332   100.2   21.6  148.6      24.5    24.5     3.1 helix_pdb
   333    42.1   40.9  150.0      24.4    24.4     3.0 helix_pdb
   334   264.7   40.4  165.3      24.4    24.4     3.0 helix_pdb
   335   176.9   17.0  135.1      24.3    24.3     3.0 helix_pdb
   336   163.6   40.0  158.2      24.3    24.3     3.0 helix_pdb
   337   193.8   33.0  138.3      24.3    24.3     3.0 helix_pdb
   338   175.3   30.5  175.2      24.3    24.3     3.0 helix_pdb
   339    10.9   21.0  165.8      24.2    24.2     3.0 helix_pdb
   340   265.2   34.1  153.4      24.2    24.2     3.0 helix_pdb
   341    10.6   47.8  151.3      24.1    24.1     3.0 helix_pdb
   342   125.6   40.9  160.4      24.1    24.1     3.0 helix_pdb
   343   152.3   24.7  141.2      24.0    24.0     3.0 helix_pdb
   344   304.5   47.5  147.9      24.0    24.0     3.0 helix_pdb
   345   276.8   36.5  172.7      23.9    23.9     3.0 helix_pdb
   346   304.7   25.4  121.1      23.8    23.8     3.0 helix_pdb
   347   341.7   40.7  173.4      23.6    23.6     3.0 helix_pdb
   348   285.4   20.6  161.4      23.6    23.6     3.0 helix_pdb
   349   354.8   35.1  176.2      23.6    23.6     3.0 helix_pdb
   350   232.6   37.5  171.1      23.5    23.5     3.0 helix_pdb
   351    35.0   58.5  174.9      23.5    23.5     3.0 helix_pdb
   352    60.8   26.6  129.6      23.4    23.4     3.0 helix_pdb
   353   300.4   24.4   96.6      23.3    23.3     3.0 helix_pdb
   354   183.4   40.2  156.6      23.3    23.3     2.9 helix_pdb
   355   224.3   30.8  179.4      23.3    23.3     2.9 helix_pdb
   356   296.6   41.0  159.1      23.3    23.3     2.9 helix_pdb
   357   209.5   23.4  174.5      23.2    23.2     2.9 helix_pdb
   358    47.3   26.9  133.6      23.2    23.2     2.9 helix_pdb
   359   151.0   23.5  187.1      23.2    23.2     2.9 helix_pdb
   360   109.4   41.0  157.9      23.2    23.2     2.9 helix_pdb
   361    33.5   49.4  162.6      23.2    23.2     2.9 helix_pdb
   362   352.1   21.6  169.2      23.2    23.2     2.9 helix_pdb
   363   271.9   32.5  156.4      23.1    23.1     2.9 helix_pdb
   364   209.8   41.8  153.0      23.1    23.1     2.9 helix_pdb
   365    39.2   24.9  175.2      23.1    23.1     2.9 helix_pdb
   366   218.0   35.3  140.3      23.1    23.1     2.9 helix_pdb
   367   179.0   34.9  174.0      23.1    23.1     2.9 helix_pdb
   368   128.8   26.6  137.0      23.0    23.0     2.9 helix_pdb
   369   287.7   13.5   93.5      23.0    23.0     2.9 helix_pdb
   370   312.6   36.0  173.6      23.0    23.0     2.9 helix_pdb
   371    42.4   57.7  177.4      23.0    23.0     2.9 helix_pdb
   372    72.5   11.7  223.6      23.0    23.0     2.9 helix_pdb
   373    60.8   30.2  192.6      23.0    23.0     2.9 helix_pdb
   374   105.4   32.0  162.9      22.9    22.9     2.9 helix_pdb
   375     4.7   37.0  136.1      22.9    22.9     2.9 helix_pdb
   376    77.5   40.6  164.1      22.9    22.9     2.9 helix_pdb
   377   176.8   12.4  144.3      22.9    22.9     2.9 helix_pdb
   378   123.2   31.7  163.2      22.9    22.9     2.9 helix_pdb
   379   279.4   21.7  148.4      22.8    22.8     2.9 helix_pdb
   380   106.1   20.6  161.6      22.8    22.8     2.9 helix_pdb
   381     2.3   24.8  138.0      22.7    22.7     2.9 helix_pdb
   382    18.1   44.3  180.1      22.6    22.6     2.9 helix_pdb
   383    83.1   33.7  189.8      22.6    22.6     2.9 helix_pdb
   384    79.3   28.9  129.8      22.6    22.6     2.9 helix_pdb
   385   296.0   26.2  120.3      22.4    22.4     2.9 helix_pdb
   386   101.4    5.4  211.6      22.4    22.4     2.9 helix_pdb
   387   349.1   30.5  132.2      22.4    22.4     2.9 helix_pdb
   388    67.9   45.1  177.5      22.4    22.4     2.9 helix_pdb
   389   173.7   21.6  138.2      22.4    22.4     2.9 helix_pdb
   390    58.7   41.6  152.7      22.4    22.4     2.9 helix_pdb
   391    12.5   21.8  155.4      22.3    22.3     2.9 helix_pdb
   392   271.3   28.9  125.7      22.3    22.3     2.9 helix_pdb
   393   304.7   28.0  182.0      22.2    22.2     2.9 helix_pdb
   394   215.4   15.6  125.7      22.2    22.2     2.9 helix_pdb
   395    99.1   29.2  139.0      22.2    22.2     2.8 helix_pdb
   396    84.5   31.1  134.0      22.2    22.2     2.8 helix_pdb

      175 trial orientations in initial search
      221 trial orientations in deep search


   Scoring 792 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #1 of 1
   0%                 100%
   |===================| DONE

   Mean Score (Sigma):       19.75   ( 6.68)

   SET #1 of 1 TRIAL #1 of 175
   ---------------------------
   Ensemble helix_pdb Euler  35.72  33.64 180.08 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      405 peaks
      All peaks checked for packing
      Translation peak 1 first to be kept
      Done


   New Top Packing Fast Translation Function FSS = 62.31 (TFZ=4.3) at Trial #1


   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 9 sites over 67.5% of top
   9 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.265 -0.000  0.855     62.308  4.31
   2      0.796 -0.000  0.921     60.221  3.83
   3      0.890 -0.000  0.977     58.677  3.47
   #Sites = 9: output truncated to 3 sites

   Top 9 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #1 of 175
   0% 100%
   |==| DONE

   Packing LLG Translations: pass 1 of 11...
      9 peaks
      1 peaks over 53.1265 checked for packing
      Translation peak 1 first to be kept
      Done
      Exit: found a peak that packs


   New Top (ML) Translation Function LLG = 53.13 (TFZ=4.3) at Trial #1

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.265 -0.000  0.855     53.126  4.31   0.0      1     62.308/    62.308
   2      0.796 -0.000  0.921     50.691  3.83  45.5      1     60.221/    60.221
   3      0.890 -0.000  0.977     49.682  3.47  40.1      1     58.677/    58.677
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #2 of 175
   ---------------------------
   Ensemble helix_pdb Euler 132.64  24.83 184.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.31 (TFZ=4.3)
   Current Top (ML) Packing Translation Function LLG = 53.13 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.719 -0.000  0.576     56.735  3.26
   2      0.821 -0.000  0.520     56.653  3.24
   3      0.079  0.000  0.798     56.556  3.21
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #2 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.079  0.000  0.798     47.686  3.21   0.0      1     56.556/    56.556
   2      0.821 -0.000  0.520     47.675  3.24  18.3      1     56.653/    56.653
   3      0.696 -0.000  0.909     47.044  3.17  40.3      1     56.408/    56.408
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #3 of 175
   ---------------------------
   Ensemble helix_pdb Euler 263.51  21.06 136.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.31 (TFZ=4.3)
   Current Top (ML) Packing Translation Function LLG = 53.13 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 7 sites over 67.5% of top
   7 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.780  0.000  0.681     59.243  3.83
   2      0.772 -0.000  0.670     57.800  3.49
   3      0.834  0.000  0.792     57.424  3.40
   #Sites = 7: output truncated to 3 sites

   Top 7 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #3 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.780  0.000  0.681     50.019  3.83   0.0      2     59.243/    59.243
   2      0.834  0.000  0.792     47.979  3.40   5.4      1     57.424/    57.424
   3      0.748 -0.000  0.626     47.685  3.37   2.8      1     57.335/    57.335
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #4 of 175
   ---------------------------
   Ensemble helix_pdb Euler 272.16  32.06 134.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.31 (TFZ=4.3)
   Current Top (ML) Packing Translation Function LLG = 53.13 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 9 sites over 67.5% of top
   9 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.151 -0.000  0.939     59.885  3.80
   2      0.128 -0.000  0.884     59.378  3.69
   3      0.870  0.000  0.606     59.155  3.64
   #Sites = 9: output truncated to 3 sites

   Top 9 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #4 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.151 -0.000  0.939     48.779  3.80   0.0      1     59.885/    59.885
   2      0.128 -0.000  0.884     48.702  3.69   2.7      2     59.378/    59.378
   3      0.870  0.000  0.606     47.731  3.64  20.3      1     59.155/    59.155
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #5 of 175
   ---------------------------
   Ensemble helix_pdb Euler 239.75  32.04 139.85 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      399 peaks
      1 peaks over 62.3084 checked for packing
      Translation peak 1 first to be kept
      Done


   New Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5) at Trial #5


   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.058 -0.000  0.754     62.479  4.54
   2      0.019 -0.000  0.643     59.032  3.79
   3      0.089  0.000  0.809     57.742  3.50
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #5 of 175
   0% 100%
   |==| DONE

   Packing LLG Translations: pass 1 of 1...
      10 peaks
      1 peaks over 53.1265 checked for packing
      Translation peak 1 first to be kept
      Done
      Exit: found a peak that packs


   New Top (ML) Translation Function LLG = 53.58 (TFZ=4.5) at Trial #5

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.058 -0.000  0.754     53.578  4.54   0.0      1     62.479/    62.479
   2      0.019 -0.000  0.643     49.288  3.79   5.5      1     59.032/    59.032
   3      0.089  0.000  0.809     48.736  3.50   2.8      1     57.742/    57.742
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #6 of 175
   ---------------------------
   Ensemble helix_pdb Euler 118.95  30.67 179.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.077  0.000  0.726     58.222  3.71
   2      0.116  0.000  0.826     57.420  3.53
   3      0.835 -0.000  0.503     56.678  3.36
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #6 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.077  0.000  0.726     48.935  3.71   0.0      1     58.222/    58.222
   2      0.085  0.000  0.781     48.080  3.35   3.1      1     56.638/    56.638
   3      0.116  0.000  0.826     47.317  3.53   4.9      1     57.420/    57.420
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #7 of 175
   ---------------------------
   Ensemble helix_pdb Euler 245.86  28.83 133.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 7 sites over 67.5% of top
   7 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.693 -0.000  0.546     60.886  4.28
   2      0.701 -0.000  0.557     58.699  3.79
   3      0.724 -0.000  0.601     58.329  3.71
   #Sites = 7: output truncated to 3 sites

   Top 7 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #7 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.701 -0.000  0.557     50.691  3.79   0.0      2     58.699/    60.886
   2      0.044  0.000  0.768     48.949  3.58  25.2      1     57.759/    57.759
   3      0.724 -0.000  0.601     47.732  3.71   2.2      1     58.329/    58.329
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #8 of 175
   ---------------------------
   Ensemble helix_pdb Euler 310.76  41.51 152.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 7 sites over 67.5% of top
   7 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.221 -0.000  0.821     57.632  3.70
   2      0.213  0.000  0.810     57.083  3.57
   3      0.151  0.000  0.810     56.670  3.48
   #Sites = 7: output truncated to 3 sites

   Top 7 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #8 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.221 -0.000  0.821     49.204  3.70   0.0      2     57.632/    57.632
   2      0.151  0.000  0.810     48.553  3.48   6.1      1     56.670/    56.670
   3      0.096  0.000  0.699     48.406  3.36   8.8      1     56.174/    56.174
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #9 of 175
   ---------------------------
   Ensemble helix_pdb Euler 330.75  38.28 140.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.124 -0.000  0.892     58.092  3.69
   2      0.843 -0.000  0.669     56.858  3.42
   3      0.812 -0.000  0.614     56.848  3.42
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #9 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.843 -0.000  0.669     47.048  3.42   0.0      1     56.858/    56.858
   2      0.124 -0.000  0.892     46.756  3.69  20.0      1     58.092/    58.092
   3      0.812 -0.000  0.614     46.289  3.42   2.8      1     56.848/    56.848
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #10 of 175
   ----------------------------
   Ensemble helix_pdb Euler 319.26  43.98 153.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.218 -0.000  0.821     58.136  4.08
   2      0.124  0.000  0.765     57.424  3.91
   3      0.093  0.000  0.698     56.714  3.74
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #10 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.124  0.000  0.765     48.993  3.91   0.0      1     57.424/    57.424
   2      0.218 -0.000  0.821     48.991  4.08   6.9      1     58.136/    58.136
   3      0.093  0.000  0.698     48.452  3.74   3.2      1     56.714/    56.714
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #11 of 175
   ----------------------------
   Ensemble helix_pdb Euler  63.19  40.04 170.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.173 -0.000  0.797     56.494  3.84
   2      0.212 -0.000  0.908     55.389  3.58

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #11 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.173 -0.000  0.797     47.376  3.84   0.0      1     56.494/    56.494
   2      0.212 -0.000  0.908     44.741  3.58   5.5      1     55.389/    55.389

   SET #1 of 1 TRIAL #12 of 175
   ----------------------------
   Ensemble helix_pdb Euler 307.83  37.55 145.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 11 sites over 67.5% of top
   11 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.777 -0.000  0.819     62.038  4.39
   2      0.207 -0.000  0.930     59.212  3.83
   3      0.230  0.000  0.485     58.558  3.70
   #Sites = 11: output truncated to 3 sites

   Top 11 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #12 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.777 -0.000  0.819     49.582  4.39   0.0      1     62.038/    62.038
   2      0.230  0.000  0.485     48.220  3.70  18.9      1     58.558/    58.558
   3      0.738 -0.000  0.496     46.870  3.39  18.3      1     56.980/    56.980
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #13 of 175
   ----------------------------
   Ensemble helix_pdb Euler  13.62  39.03 148.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.953 -0.000  0.782     60.718  4.78

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #13 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.953 -0.000  0.782     51.666  4.78   0.0      1     60.718/    60.718

   SET #1 of 1 TRIAL #14 of 175
   ----------------------------
   Ensemble helix_pdb Euler   4.29  40.94 145.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.905  0.000  0.728     57.198  4.26

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #14 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.905  0.000  0.728     49.223  4.26   0.0      1     57.198/    57.198

   SET #1 of 1 TRIAL #15 of 175
   ----------------------------
   Ensemble helix_pdb Euler 334.84  42.06 156.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.136 -0.000  0.485     59.404  4.24
   2      0.136 -0.000  0.707     57.299  3.79
   3      0.769  0.000  0.874     56.277  3.57
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #15 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.136 -0.000  0.485     48.344  4.24   0.0      1     59.404/    59.404
   2      0.136 -0.000  0.707     46.604  3.79  14.1      1     57.299/    57.299
   3      0.832  0.000  0.874     45.806  3.51  24.8      1     56.022/    56.022
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #16 of 175
   ----------------------------
   Ensemble helix_pdb Euler 299.65  36.97 144.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.222  0.000  0.487     59.413  3.98
   2      0.199 -0.000  0.931     58.622  3.82
   3      0.769  0.000  0.820     58.450  3.79
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #16 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.222  0.000  0.487     48.646  3.98   0.0      1     59.413/    59.413
   2      0.167  0.000  0.876     44.963  3.45  27.5      1     56.811/    56.811
   3      0.199 -0.000  0.931     44.942  3.82  29.7      1     58.622/    58.622
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #17 of 175
   ----------------------------
   Ensemble helix_pdb Euler 142.97  23.82 183.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #18 of 175
   ----------------------------
   Ensemble helix_pdb Euler 314.48  36.59 138.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.755 -0.000  0.552     57.003  3.68
   2      0.215 -0.000  0.941     56.833  3.64
   3      0.036 -0.000  0.607     55.156  3.30
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #18 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.755 -0.000  0.552     46.204  3.68   0.0      1     57.003/    57.003
   2      0.215 -0.000  0.941     46.008  3.64  32.6      1     56.833/    56.833
   3      0.036 -0.000  0.607     43.323  3.30  23.8      1     55.156/    55.156
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #19 of 175
   ----------------------------
   Ensemble helix_pdb Euler 287.28  29.80 138.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.195  0.000  0.936     57.153  3.73
   2      0.742 -0.000  0.558     57.041  3.71
   3      0.031 -0.000  0.881     55.784  3.46
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #19 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.195  0.000  0.936     45.278  3.73   0.0      1     57.153/    57.153
   2      0.742 -0.000  0.558     45.222  3.71  32.1      1     57.041/    57.041
   3      0.031 -0.000  0.881     44.505  3.46  13.1      1     55.784/    55.784
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #20 of 175
   ----------------------------
   Ensemble helix_pdb Euler 242.02  19.30 140.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.756 -0.000  0.672     57.698  4.37

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #20 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.756 -0.000  0.672     48.629  4.37   0.0      1     57.698/    57.698

   SET #1 of 1 TRIAL #21 of 175
   ----------------------------
   Ensemble helix_pdb Euler   8.48  39.09 169.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.158 -0.000  0.497     54.719  3.64

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #21 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.158 -0.000  0.497     45.628  3.64   0.0      1     54.719/    54.719

   SET #1 of 1 TRIAL #22 of 175
   ----------------------------
   Ensemble helix_pdb Euler  18.28  35.28 178.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.248  0.000  0.796     54.879  4.00

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #22 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.248  0.000  0.796     46.753  4.00   0.0      1     54.879/    54.879

   SET #1 of 1 TRIAL #23 of 175
   ----------------------------
   Ensemble helix_pdb Euler 207.15  21.33 158.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.816 -0.000  0.767     55.442  3.79
   2      0.753 -0.000  0.656     54.629  3.62

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #23 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.816 -0.000  0.767     46.914  3.79   0.0      1     55.442/    55.442
   2      0.753 -0.000  0.656     45.835  3.62   5.5      1     54.629/    54.629

   SET #1 of 1 TRIAL #24 of 175
   ----------------------------
   Ensemble helix_pdb Euler  47.05  40.84 168.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.121 -0.000  0.951     54.710  3.69

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #24 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.121 -0.000  0.951     44.764  3.69   0.0      1     54.710/    54.710

   SET #1 of 1 TRIAL #25 of 175
   ----------------------------
   Ensemble helix_pdb Euler 170.71  21.50 174.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #26 of 175
   ----------------------------
   Ensemble helix_pdb Euler 137.40  28.90 179.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.796 -0.000  0.673     57.304  4.47

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #26 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.796 -0.000  0.673     48.834  4.47   0.0      1     57.304/    57.304

   SET #1 of 1 TRIAL #27 of 175
   ----------------------------
   Ensemble helix_pdb Euler  36.91  40.96 157.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #28 of 175
   ----------------------------
   Ensemble helix_pdb Euler  91.10  26.62 178.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.780 -0.000  0.611     56.334  3.84
   2      0.882 -0.000  0.556     55.062  3.58
   3      0.820 -0.000  0.556     54.788  3.53
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #28 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.780 -0.000  0.611     45.007  3.84   0.0      1     56.334/    56.334
   2      0.882 -0.000  0.556     43.204  3.58  12.0      1     55.062/    55.062
   3      0.820 -0.000  0.556     41.997  3.53   6.5      1     54.788/    54.788
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #29 of 175
   ----------------------------
   Ensemble helix_pdb Euler 236.33  27.73 133.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.692  0.000  0.547     54.982  4.09

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #29 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.692  0.000  0.547     45.271  4.09   0.0      1     54.982/    54.982

   SET #1 of 1 TRIAL #30 of 175
   ----------------------------
   Ensemble helix_pdb Euler 264.28  24.51 144.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 3 sites over 67.5% of top
   3 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.807 -0.000  0.664     55.457  3.84
   2      0.050 -0.000  0.664     54.835  3.72
   3      0.831 -0.000  0.719     54.580  3.66

   Top 3 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #30 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.807 -0.000  0.664     46.156  3.84   0.0      1     55.457/    55.457
   2      0.831 -0.000  0.719     44.404  3.66   2.7      1     54.580/    54.580
   3      0.050 -0.000  0.664     43.632  3.72  22.4      1     54.835/    54.835

   SET #1 of 1 TRIAL #31 of 175
   ----------------------------
   Ensemble helix_pdb Euler 182.09  20.90 172.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #32 of 175
   ----------------------------
   Ensemble helix_pdb Euler 234.05  22.83 148.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.775 -0.000  0.655     54.538  3.71

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #32 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.775 -0.000  0.655     44.461  3.71   0.0      1     54.538/    54.538

   SET #1 of 1 TRIAL #33 of 175
   ----------------------------
   Ensemble helix_pdb Euler  72.89  37.65 169.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.176  0.000  0.798     54.542  3.80

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #33 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.176  0.000  0.798     45.369  3.80   0.0      1     54.542/    54.542

   SET #1 of 1 TRIAL #34 of 175
   ----------------------------
   Ensemble helix_pdb Euler 262.08  29.24 136.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.868  0.000  0.607     54.815  3.71

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #34 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.868  0.000  0.607     43.324  3.71   0.0      1     54.815/    54.815

   SET #1 of 1 TRIAL #35 of 175
   ----------------------------
   Ensemble helix_pdb Euler 354.37  39.74 167.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.878  0.000  0.663     55.348  4.13
   2      0.222 -0.000  0.885     54.214  3.87

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #35 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.878  0.000  0.663     47.227  4.13   0.0      1     55.348/    55.348
   2      0.222 -0.000  0.885     45.614  3.87  25.1      1     54.214/    54.214

   SET #1 of 1 TRIAL #36 of 175
   ----------------------------
   Ensemble helix_pdb Euler 104.51  28.10 184.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.094 -0.000  0.780     54.605  4.04

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #36 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.094 -0.000  0.780     43.829  4.04   0.0      1     54.605/    54.605

   SET #1 of 1 TRIAL #37 of 175
   ----------------------------
   Ensemble helix_pdb Euler  38.99  41.21 167.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #38 of 175
   ----------------------------
   Ensemble helix_pdb Euler 209.65  24.65 136.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.135 -0.000  0.928     55.062  4.29

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #38 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.135 -0.000  0.928     45.752  4.29   0.0      1     55.062/    55.062

   SET #1 of 1 TRIAL #39 of 175
   ----------------------------
   Ensemble helix_pdb Euler 338.06  44.86 164.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #40 of 175
   ----------------------------
   Ensemble helix_pdb Euler 306.43  35.72 136.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.745  0.000  0.554     56.428  3.99

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #40 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.745  0.000  0.554     44.675  3.99   0.0      1     56.428/    56.428

   SET #1 of 1 TRIAL #41 of 175
   ----------------------------
   Ensemble helix_pdb Euler  54.03  42.52 171.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #42 of 175
   ----------------------------
   Ensemble helix_pdb Euler 289.37  33.97 135.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #43 of 175
   ----------------------------
   Ensemble helix_pdb Euler 224.36  25.72 136.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #44 of 175
   ----------------------------
   Ensemble helix_pdb Euler 206.24  27.81 147.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #45 of 175
   ----------------------------
   Ensemble helix_pdb Euler  76.77  24.33 174.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #46 of 175
   ----------------------------
   Ensemble helix_pdb Euler 268.97  28.23 139.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.826 -0.000  0.994     56.413  4.16
   2      0.881 -0.000  0.605     53.878  3.66

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #46 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.826 -0.000  0.994     44.047  4.16   0.0      1     56.413/    56.413
   2      0.881 -0.000  0.605     41.107  3.66  28.2      1     53.878/    53.878

   SET #1 of 1 TRIAL #47 of 175
   ----------------------------
   Ensemble helix_pdb Euler  21.64  36.35 153.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #48 of 175
   ----------------------------
   Ensemble helix_pdb Euler 325.91  37.44 156.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.246 -0.000  0.932     58.652  4.75
   2      0.215 -0.000  0.876     55.163  4.03

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #48 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.246 -0.000  0.932     47.946  4.75   0.0      1     58.652/    58.652
   2      0.215 -0.000  0.876     45.501  4.03   2.8      1     55.163/    55.163

   SET #1 of 1 TRIAL #49 of 175
   ----------------------------
   Ensemble helix_pdb Euler  43.72  35.01 181.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.801 -0.000  0.588     54.424  4.30

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #49 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.801 -0.000  0.588     45.324  4.30   0.0      1     54.424/    54.424

   SET #1 of 1 TRIAL #50 of 175
   ----------------------------
   Ensemble helix_pdb Euler 250.83  22.21 149.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.796 -0.000  0.656     57.806  4.88
   2      0.773  0.000  0.611     54.745  4.21

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #50 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.796 -0.000  0.656     48.769  4.88   0.0      1     57.806/    57.806
   2      0.773  0.000  0.611     45.326  4.21   2.2      1     54.745/    54.745

   SET #1 of 1 TRIAL #51 of 175
   ----------------------------
   Ensemble helix_pdb Euler 301.82  39.03 152.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.154 -0.000  0.811     58.040  5.07

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #51 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.154 -0.000  0.811     49.968  5.07   0.0      1     58.040/    58.040

   SET #1 of 1 TRIAL #52 of 175
   ----------------------------
   Ensemble helix_pdb Euler 125.04  28.98 150.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.803  0.000  0.548     53.732  3.92

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #52 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.803  0.000  0.548     44.003  3.92   0.0      1     53.732/    53.732

   SET #1 of 1 TRIAL #53 of 175
   ----------------------------
   Ensemble helix_pdb Euler  75.54  34.37 177.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.104  0.000  0.973     54.219  3.85
   2      0.159  0.000  0.807     54.192  3.85

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #53 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.159  0.000  0.807     42.560  3.85   0.0      1     54.192/    54.192
   2      0.104  0.000  0.973     41.898  3.85  14.4      1     54.219/    54.219

   SET #1 of 1 TRIAL #54 of 175
   ----------------------------
   Ensemble helix_pdb Euler 190.39  22.87 140.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.112 -0.000  0.872     54.366  4.52

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #54 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.112 -0.000  0.872     46.147  4.52   0.0      1     54.366/    54.366

   SET #1 of 1 TRIAL #55 of 175
   ----------------------------
   Ensemble helix_pdb Euler 150.25  21.64 162.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.858 -0.000  0.576     53.527  3.84

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #55 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.858 -0.000  0.576     41.866  3.84   0.0      1     53.527/    53.527

   SET #1 of 1 TRIAL #56 of 175
   ----------------------------
   Ensemble helix_pdb Euler   9.61  38.40 177.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #57 of 175
   ----------------------------
   Ensemble helix_pdb Euler 118.42  22.63 168.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #58 of 175
   ----------------------------
   Ensemble helix_pdb Euler  18.16  41.78 147.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.944  0.000  0.781     53.685  4.57

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #58 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.944  0.000  0.781     45.933  4.57   0.0      1     53.685/    53.685

   SET #1 of 1 TRIAL #59 of 175
   ----------------------------
   Ensemble helix_pdb Euler  81.18  37.21 170.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.115 -0.000  0.966     53.892  4.21

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #59 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.115 -0.000  0.966     44.654  4.21   0.0      1     53.892/    53.892

   SET #1 of 1 TRIAL #60 of 175
   ----------------------------
   Ensemble helix_pdb Euler 187.53  17.79 142.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #61 of 175
   ----------------------------
   Ensemble helix_pdb Euler 216.50  28.41 146.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #62 of 175
   ----------------------------
   Ensemble helix_pdb Euler  68.53  27.20 153.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.857 -0.000  0.540     54.057  4.16

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #62 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.857 -0.000  0.540     42.992  4.16   0.0      1     54.057/    54.057

   SET #1 of 1 TRIAL #63 of 175
   ----------------------------
   Ensemble helix_pdb Euler  97.48  23.40 171.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #64 of 175
   ----------------------------
   Ensemble helix_pdb Euler  86.17  34.18 153.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.282 -0.000  0.915     55.117  4.37

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #64 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.282 -0.000  0.915     44.145  4.37   0.0      1     55.117/    55.117

   SET #1 of 1 TRIAL #65 of 175
   ----------------------------
   Ensemble helix_pdb Euler  61.81  25.19 150.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #66 of 175
   ----------------------------
   Ensemble helix_pdb Euler 110.48  25.17 177.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #67 of 175
   ----------------------------
   Ensemble helix_pdb Euler   7.04  35.91 152.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #68 of 175
   ----------------------------
   Ensemble helix_pdb Euler 154.74  35.36 158.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #69 of 175
   ----------------------------
   Ensemble helix_pdb Euler 355.24  42.56 144.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #70 of 175
   ----------------------------
   Ensemble helix_pdb Euler  89.55  36.70 171.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #71 of 175
   ----------------------------
   Ensemble helix_pdb Euler 200.33  18.45 139.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #72 of 175
   ----------------------------
   Ensemble helix_pdb Euler 254.25  27.73 166.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #73 of 175
   ----------------------------
   Ensemble helix_pdb Euler 260.25  25.95 169.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #74 of 175
   ----------------------------
   Ensemble helix_pdb Euler  56.20  37.09 156.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.177 -0.000  0.732     53.856  4.40

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #74 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.177 -0.000  0.732     44.747  4.40   0.0      1     53.856/    53.856

   SET #1 of 1 TRIAL #75 of 175
   ----------------------------
   Ensemble helix_pdb Euler 223.51  22.47 150.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #76 of 175
   ----------------------------
   Ensemble helix_pdb Euler 188.05  25.49 167.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.719 -0.000  0.520     53.242  4.37

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #76 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.719 -0.000  0.520     45.875  4.37   0.0      1     53.242/    53.242

   SET #1 of 1 TRIAL #77 of 175
   ----------------------------
   Ensemble helix_pdb Euler   1.38  41.46 174.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #78 of 175
   ----------------------------
   Ensemble helix_pdb Euler 152.55  30.04 150.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #79 of 175
   ----------------------------
   Ensemble helix_pdb Euler 171.68  16.86 170.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #80 of 175
   ----------------------------
   Ensemble helix_pdb Euler 342.58  37.57 158.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.788  0.000  0.498     54.793  4.41

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #80 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.788  0.000  0.498     44.296  4.41   0.0      1     54.793/    54.793

   SET #1 of 1 TRIAL #81 of 175
   ----------------------------
   Ensemble helix_pdb Euler  67.20  35.10 176.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #82 of 175
   ----------------------------
   Ensemble helix_pdb Euler 138.41  28.85 146.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #83 of 175
   ----------------------------
   Ensemble helix_pdb Euler 158.23  17.58 174.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #84 of 175
   ----------------------------
   Ensemble helix_pdb Euler 119.80  27.80 146.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #85 of 175
   ----------------------------
   Ensemble helix_pdb Euler 349.05  39.80 150.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #86 of 175
   ----------------------------
   Ensemble helix_pdb Euler 284.14  25.68 143.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #87 of 175
   ----------------------------
   Ensemble helix_pdb Euler  78.07  27.45 152.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #88 of 175
   ----------------------------
   Ensemble helix_pdb Euler 350.83  44.44 159.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #89 of 175
   ----------------------------
   Ensemble helix_pdb Euler   9.26  30.05 168.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #90 of 175
   ----------------------------
   Ensemble helix_pdb Euler  42.56  32.81 151.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #91 of 175
   ----------------------------
   Ensemble helix_pdb Euler 136.10  16.23 158.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #92 of 175
   ----------------------------
   Ensemble helix_pdb Euler 170.10  30.70 141.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #93 of 175
   ----------------------------
   Ensemble helix_pdb Euler 338.81  41.23 141.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #94 of 175
   ----------------------------
   Ensemble helix_pdb Euler 226.10  28.67 167.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #95 of 175
   ----------------------------
   Ensemble helix_pdb Euler  49.30  26.78 154.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #96 of 175
   ----------------------------
   Ensemble helix_pdb Euler 260.23  37.25 135.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #97 of 175
   ----------------------------
   Ensemble helix_pdb Euler 110.71  28.50 188.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #98 of 175
   ----------------------------
   Ensemble helix_pdb Euler 304.10  28.67 161.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #99 of 175
   ----------------------------
   Ensemble helix_pdb Euler 124.16  23.21 171.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #100 of 175
   -----------------------------
   Ensemble helix_pdb Euler  60.44  33.02 183.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #101 of 175
   -----------------------------
   Ensemble helix_pdb Euler  19.87  43.76 151.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #102 of 175
   -----------------------------
   Ensemble helix_pdb Euler 311.90  26.45 162.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #103 of 175
   -----------------------------
   Ensemble helix_pdb Euler  50.75  44.92 163.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #104 of 175
   -----------------------------
   Ensemble helix_pdb Euler 201.89  28.36 141.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #105 of 175
   -----------------------------
   Ensemble helix_pdb Euler 293.61  38.76 151.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.147 -0.000  0.812     55.233  5.06

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #105 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.147 -0.000  0.812     46.648  5.06   0.0      1     55.233/    55.233

   SET #1 of 1 TRIAL #106 of 175
   -----------------------------
   Ensemble helix_pdb Euler  67.12  25.03 174.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #107 of 175
   -----------------------------
   Ensemble helix_pdb Euler 139.50  30.14 154.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.205 -0.000  0.877     54.147  4.36

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #107 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.205 -0.000  0.877     44.611  4.36   0.0      1     54.147/    54.147

   SET #1 of 1 TRIAL #108 of 175
   -----------------------------
   Ensemble helix_pdb Euler  94.86  34.47 153.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #109 of 175
   -----------------------------
   Ensemble helix_pdb Euler 253.29  30.34 146.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #110 of 175
   -----------------------------
   Ensemble helix_pdb Euler 161.11  21.58 160.99 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #111 of 175
   -----------------------------
   Ensemble helix_pdb Euler 160.97  29.98 141.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #112 of 175
   -----------------------------
   Ensemble helix_pdb Euler 316.81  32.12 167.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #113 of 175
   -----------------------------
   Ensemble helix_pdb Euler  95.90  37.76 175.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #114 of 175
   -----------------------------
   Ensemble helix_pdb Euler 218.04  20.89 130.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #115 of 175
   -----------------------------
   Ensemble helix_pdb Euler 340.03  32.18 141.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #116 of 175
   -----------------------------
   Ensemble helix_pdb Euler 290.39  33.10 166.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #117 of 175
   -----------------------------
   Ensemble helix_pdb Euler  26.52  33.68 170.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #118 of 175
   -----------------------------
   Ensemble helix_pdb Euler 194.79  32.13 146.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #119 of 175
   -----------------------------
   Ensemble helix_pdb Euler 353.58  30.67 168.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #120 of 175
   -----------------------------
   Ensemble helix_pdb Euler 144.54  34.20 148.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #121 of 175
   -----------------------------
   Ensemble helix_pdb Euler 331.39  26.27 160.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #122 of 175
   -----------------------------
   Ensemble helix_pdb Euler 170.79  30.76 150.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #123 of 175
   -----------------------------
   Ensemble helix_pdb Euler 322.82  28.56 160.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #124 of 175
   -----------------------------
   Ensemble helix_pdb Euler 331.02  25.47 151.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #125 of 175
   -----------------------------
   Ensemble helix_pdb Euler 130.31  29.98 154.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.214 -0.000  0.877     53.835  4.44

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #125 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.214 -0.000  0.877     43.542  4.44   0.0      1     53.835/    53.835

   SET #1 of 1 TRIAL #126 of 175
   -----------------------------
   Ensemble helix_pdb Euler 231.17  27.28 171.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #127 of 175
   -----------------------------
   Ensemble helix_pdb Euler 327.44  46.37 154.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #128 of 175
   -----------------------------
   Ensemble helix_pdb Euler 357.92  33.63 142.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #129 of 175
   -----------------------------
   Ensemble helix_pdb Euler 281.57  33.45 166.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #130 of 175
   -----------------------------
   Ensemble helix_pdb Euler  46.89  28.60 167.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #131 of 175
   -----------------------------
   Ensemble helix_pdb Euler  65.08  29.91 146.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #132 of 175
   -----------------------------
   Ensemble helix_pdb Euler 248.33  29.35 162.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #133 of 175
   -----------------------------
   Ensemble helix_pdb Euler 177.08  30.63 164.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #134 of 175
   -----------------------------
   Ensemble helix_pdb Euler 105.00  25.77 143.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #135 of 175
   -----------------------------
   Ensemble helix_pdb Euler  95.22  25.15 143.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #136 of 175
   -----------------------------
   Ensemble helix_pdb Euler  18.43  45.09 157.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #137 of 175
   -----------------------------
   Ensemble helix_pdb Euler   7.57  37.53 160.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #138 of 175
   -----------------------------
   Ensemble helix_pdb Euler 198.77  25.17 166.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #139 of 175
   -----------------------------
   Ensemble helix_pdb Euler 166.26  21.74 165.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #140 of 175
   -----------------------------
   Ensemble helix_pdb Euler 192.58  30.30 164.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #141 of 175
   -----------------------------
   Ensemble helix_pdb Euler  72.90  36.76 146.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #142 of 175
   -----------------------------
   Ensemble helix_pdb Euler 336.11  35.89 166.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #143 of 175
   -----------------------------
   Ensemble helix_pdb Euler 146.95  17.14 166.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #144 of 175
   -----------------------------
   Ensemble helix_pdb Euler  68.74  31.99 184.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #145 of 175
   -----------------------------
   Ensemble helix_pdb Euler 285.34  38.39 150.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #146 of 175
   -----------------------------
   Ensemble helix_pdb Euler 221.47  32.70 151.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #147 of 175
   -----------------------------
   Ensemble helix_pdb Euler 240.92  26.84 170.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #148 of 175
   -----------------------------
   Ensemble helix_pdb Euler 204.04  32.65 147.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #149 of 175
   -----------------------------
   Ensemble helix_pdb Euler 114.54  26.45 142.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #150 of 175
   -----------------------------
   Ensemble helix_pdb Euler 189.24  22.05 150.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #151 of 175
   -----------------------------
   Ensemble helix_pdb Euler 253.47  26.06 125.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #152 of 175
   -----------------------------
   Ensemble helix_pdb Euler 176.11  30.88 154.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #153 of 175
   -----------------------------
   Ensemble helix_pdb Euler 155.76  31.37 167.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #154 of 175
   -----------------------------
   Ensemble helix_pdb Euler 228.39  26.70 154.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #155 of 175
   -----------------------------
   Ensemble helix_pdb Euler  30.36  24.91 165.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #156 of 175
   -----------------------------
   Ensemble helix_pdb Euler  10.68  27.05 148.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #157 of 175
   -----------------------------
   Ensemble helix_pdb Euler 238.45  34.59 163.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #158 of 175
   -----------------------------
   Ensemble helix_pdb Euler 332.26  34.52 149.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #159 of 175
   -----------------------------
   Ensemble helix_pdb Euler 111.97  29.65 155.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.805  0.000  0.544     53.352  4.58

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #159 of 175
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.805  0.000  0.544     42.028  4.58   0.0      1     53.352/    53.352

   SET #1 of 1 TRIAL #160 of 175
   -----------------------------
   Ensemble helix_pdb Euler  66.88  34.65 143.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #161 of 175
   -----------------------------
   Ensemble helix_pdb Euler 218.55  18.16 145.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #162 of 175
   -----------------------------
   Ensemble helix_pdb Euler 303.73  26.97 141.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #163 of 175
   -----------------------------
   Ensemble helix_pdb Euler  47.86  26.40 175.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #164 of 175
   -----------------------------
   Ensemble helix_pdb Euler 320.95  40.76 162.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #165 of 175
   -----------------------------
   Ensemble helix_pdb Euler  30.96  41.46 165.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #166 of 175
   -----------------------------
   Ensemble helix_pdb Euler  89.72  37.80 148.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #167 of 175
   -----------------------------
   Ensemble helix_pdb Euler 153.77  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #168 of 175
   -----------------------------
   Ensemble helix_pdb Euler 278.38  39.98 147.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #169 of 175
   -----------------------------
   Ensemble helix_pdb Euler  24.16  35.21 146.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #170 of 175
   -----------------------------
   Ensemble helix_pdb Euler 179.38  35.69 151.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #171 of 175
   -----------------------------
   Ensemble helix_pdb Euler 209.83  31.58 154.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #172 of 175
   -----------------------------
   Ensemble helix_pdb Euler 358.88  42.10 160.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #173 of 175
   -----------------------------
   Ensemble helix_pdb Euler  86.45  30.10 184.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #174 of 175
   -----------------------------
   Ensemble helix_pdb Euler 350.93  35.33 159.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #175 of 175
   -----------------------------
   Ensemble helix_pdb Euler 224.30  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring


-------------------------
DEEP TRANSLATION FUNCTION
-------------------------

   Best TFZ is NOT over Z-score cutoff for definite solution (8.00)
   Search deep in trial orientation list

---------------------------------
DEEP TRANSLATION FUNCTION #1 OF 1
---------------------------------

   221 trial orientations in deep search


   SOLU SET 
   SOLU SPAC C 1 2 1
   SOLU TRIAL ENSEMBLE helix_pdb EULER   35.719   33.639  180.082 RF   43.4 RFZ  4.73

   SOLU TRIAL ENSEMBLE helix_pdb EULER  132.641   24.827  184.107 RF   42.7 RFZ  4.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  263.507   21.063  136.319 RF   42.3 RFZ  4.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  272.164   32.060  134.563 RF   42.0 RFZ  4.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.749   32.036  139.851 RF   41.8 RFZ  4.59

   SOLU TRIAL ENSEMBLE helix_pdb EULER  118.948   30.667  179.407 RF   41.5 RFZ  4.56

   SOLU TRIAL ENSEMBLE helix_pdb EULER  245.858   28.828  133.291 RF   41.5 RFZ  4.56

   SOLU TRIAL ENSEMBLE helix_pdb EULER  310.755   41.514  152.542 RF   41.4 RFZ  4.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.746   38.279  140.515 RF   40.5 RFZ  4.47

   SOLU TRIAL ENSEMBLE helix_pdb EULER  319.263   43.985  153.033 RF   40.5 RFZ  4.47

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.190   40.042  170.819 RF   39.8 RFZ  4.41

   SOLU TRIAL ENSEMBLE helix_pdb EULER  307.829   37.553  145.582 RF   39.7 RFZ  4.40

   SOLU TRIAL ENSEMBLE helix_pdb EULER   13.623   39.029  148.104 RF   39.7 RFZ  4.40

   SOLU TRIAL ENSEMBLE helix_pdb EULER    4.287   40.941  145.691 RF   39.5 RFZ  4.38

   SOLU TRIAL ENSEMBLE helix_pdb EULER  334.838   42.063  156.504 RF   39.4 RFZ  4.38

   SOLU TRIAL ENSEMBLE helix_pdb EULER  299.649   36.975  144.511 RF   39.3 RFZ  4.37

   SOLU TRIAL ENSEMBLE helix_pdb EULER  142.974   23.822  183.037 RF   39.1 RFZ  4.35

   SOLU TRIAL ENSEMBLE helix_pdb EULER  314.478   36.594  138.184 RF   38.7 RFZ  4.31

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.284   29.802  138.921 RF   38.7 RFZ  4.31

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.019   19.301  140.059 RF   38.7 RFZ  4.31

   SOLU TRIAL ENSEMBLE helix_pdb EULER    8.481   39.091  169.421 RF   38.6 RFZ  4.30

   SOLU TRIAL ENSEMBLE helix_pdb EULER   18.278   35.284  178.634 RF   38.5 RFZ  4.29

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.146   21.334  158.019 RF   38.5 RFZ  4.29

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.053   40.839  168.333 RF   38.2 RFZ  4.26

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.705   21.496  174.199 RF   37.7 RFZ  4.23

   SOLU TRIAL ENSEMBLE helix_pdb EULER  137.402   28.896  179.278 RF   37.6 RFZ  4.21

   SOLU TRIAL ENSEMBLE helix_pdb EULER   36.907   40.964  157.906 RF   37.5 RFZ  4.21

   SOLU TRIAL ENSEMBLE helix_pdb EULER   91.095   26.623  178.792 RF   37.5 RFZ  4.21

   SOLU TRIAL ENSEMBLE helix_pdb EULER  236.330   27.734  133.484 RF   37.4 RFZ  4.20

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.275   24.509  144.981 RF   37.4 RFZ  4.20

   SOLU TRIAL ENSEMBLE helix_pdb EULER  182.089   20.902  172.180 RF   37.3 RFZ  4.19

   SOLU TRIAL ENSEMBLE helix_pdb EULER  234.049   22.834  148.435 RF   37.0 RFZ  4.16

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.886   37.648  169.781 RF   37.0 RFZ  4.16

   SOLU TRIAL ENSEMBLE helix_pdb EULER  262.077   29.241  136.269 RF   36.8 RFZ  4.14

   SOLU TRIAL ENSEMBLE helix_pdb EULER  354.368   39.739  167.493 RF   36.8 RFZ  4.14

   SOLU TRIAL ENSEMBLE helix_pdb EULER  104.510   28.102  184.919 RF   36.7 RFZ  4.14

   SOLU TRIAL ENSEMBLE helix_pdb EULER   38.988   41.208  167.085 RF   36.6 RFZ  4.13

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.646   24.651  136.011 RF   36.6 RFZ  4.13

   SOLU TRIAL ENSEMBLE helix_pdb EULER  338.057   44.857  164.269 RF   36.6 RFZ  4.12

   SOLU TRIAL ENSEMBLE helix_pdb EULER  306.433   35.716  136.967 RF   36.4 RFZ  4.11

   SOLU TRIAL ENSEMBLE helix_pdb EULER   54.028   42.521  171.211 RF   36.3 RFZ  4.10

   SOLU TRIAL ENSEMBLE helix_pdb EULER  289.372   33.970  135.660 RF   36.2 RFZ  4.09

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.363   25.720  136.983 RF   36.1 RFZ  4.08

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.242   27.811  147.025 RF   36.0 RFZ  4.08

   SOLU TRIAL ENSEMBLE helix_pdb EULER   76.772   24.334  174.071 RF   35.9 RFZ  4.07

   SOLU TRIAL ENSEMBLE helix_pdb EULER  268.973   28.226  139.176 RF   35.9 RFZ  4.07

   SOLU TRIAL ENSEMBLE helix_pdb EULER   21.642   36.352  153.484 RF   35.9 RFZ  4.06

   SOLU TRIAL ENSEMBLE helix_pdb EULER  325.907   37.435  156.554 RF   35.9 RFZ  4.06

   SOLU TRIAL ENSEMBLE helix_pdb EULER   43.722   35.008  181.795 RF   35.8 RFZ  4.05

   SOLU TRIAL ENSEMBLE helix_pdb EULER  250.832   22.213  149.945 RF   35.7 RFZ  4.05

   SOLU TRIAL ENSEMBLE helix_pdb EULER  301.823   39.034  152.603 RF   35.7 RFZ  4.04

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   35.5 RFZ  4.03

   SOLU TRIAL ENSEMBLE helix_pdb EULER   75.543   34.372  177.065 RF   35.5 RFZ  4.02

   SOLU TRIAL ENSEMBLE helix_pdb EULER  190.390   22.865  140.172 RF   35.3 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_pdb EULER  150.253   21.643  162.967 RF   35.3 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.610   38.398  177.533 RF   35.3 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_pdb EULER  118.421   22.627  168.115 RF   35.3 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_pdb EULER   18.159   41.784  147.938 RF   35.3 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.176   37.213  170.720 RF   35.2 RFZ  4.00

   SOLU TRIAL ENSEMBLE helix_pdb EULER  187.525   17.786  142.755 RF   35.2 RFZ  4.00

   SOLU TRIAL ENSEMBLE helix_pdb EULER  216.502   28.412  146.594 RF   35.2 RFZ  4.00

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   34.9 RFZ  3.97

   SOLU TRIAL ENSEMBLE helix_pdb EULER   97.481   23.397  171.231 RF   34.9 RFZ  3.97

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   34.8 RFZ  3.97

   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   34.7 RFZ  3.96

   SOLU TRIAL ENSEMBLE helix_pdb EULER  110.476   25.172  177.354 RF   34.7 RFZ  3.96

   SOLU TRIAL ENSEMBLE helix_pdb EULER    7.035   35.908  152.205 RF   34.7 RFZ  3.96

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   34.7 RFZ  3.95

   SOLU TRIAL ENSEMBLE helix_pdb EULER  355.239   42.563  144.475 RF   34.5 RFZ  3.94

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.550   36.699  171.553 RF   34.5 RFZ  3.94

   SOLU TRIAL ENSEMBLE helix_pdb EULER  200.327   18.447  139.629 RF   34.4 RFZ  3.93

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   34.4 RFZ  3.93

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   34.3 RFZ  3.92

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.201   37.089  156.639 RF   34.3 RFZ  3.92

   SOLU TRIAL ENSEMBLE helix_pdb EULER  223.509   22.470  150.081 RF   34.3 RFZ  3.92

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.048   25.491  167.764 RF   34.2 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.380   41.457  174.207 RF   34.2 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   34.1 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER  171.684   16.855  170.822 RF   34.1 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER  342.580   37.567  158.308 RF   34.1 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER   67.196   35.100  176.231 RF   34.1 RFZ  3.90

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   34.0 RFZ  3.89

   SOLU TRIAL ENSEMBLE helix_pdb EULER  158.230   17.581  174.638 RF   33.9 RFZ  3.89

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   33.9 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER  349.048   39.802  150.843 RF   33.9 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER  284.136   25.681  143.005 RF   33.8 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER   78.074   27.449  152.716 RF   33.8 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.831   44.441  159.168 RF   33.8 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.257   30.048  168.017 RF   33.8 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   33.7 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.095   16.234  158.489 RF   33.7 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   33.6 RFZ  3.86

   SOLU TRIAL ENSEMBLE helix_pdb EULER  338.810   41.231  141.580 RF   33.6 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   33.5 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_pdb EULER   49.297   26.781  154.576 RF   33.5 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.230   37.252  135.850 RF   33.5 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_pdb EULER  110.714   28.500  188.868 RF   33.5 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.102   28.670  161.029 RF   33.4 RFZ  3.84

   SOLU TRIAL ENSEMBLE helix_pdb EULER  124.161   23.210  171.923 RF   33.4 RFZ  3.84

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.443   33.020  183.482 RF   33.4 RFZ  3.84

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.874   43.759  151.347 RF   33.3 RFZ  3.83

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   33.3 RFZ  3.83

   SOLU TRIAL ENSEMBLE helix_pdb EULER   50.753   44.918  163.751 RF   33.3 RFZ  3.83

   SOLU TRIAL ENSEMBLE helix_pdb EULER  201.891   28.362  141.555 RF   33.2 RFZ  3.83

   SOLU TRIAL ENSEMBLE helix_pdb EULER  293.608   38.759  151.547 RF   33.1 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER   67.116   25.032  174.740 RF   33.1 RFZ  3.81

   SOLU TRIAL ENSEMBLE helix_pdb EULER  139.502   30.142  154.811 RF   33.0 RFZ  3.81

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   33.0 RFZ  3.81

   SOLU TRIAL ENSEMBLE helix_pdb EULER  253.287   30.342  146.391 RF   33.0 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  161.110   21.575  160.991 RF   33.0 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   32.9 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   32.9 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.895   37.760  175.243 RF   32.9 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  218.043   20.890  130.003 RF   32.9 RFZ  3.79

   SOLU TRIAL ENSEMBLE helix_pdb EULER  340.034   32.178  141.239 RF   32.8 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   32.7 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER   26.516   33.683  170.150 RF   32.7 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.791   32.132  146.853 RF   32.7 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  353.579   30.665  168.047 RF   32.6 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   32.6 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.390   26.272  160.820 RF   32.5 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.791   30.761  150.363 RF   32.5 RFZ  3.76

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   32.4 RFZ  3.75

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   32.3 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.306   29.978  154.977 RF   32.3 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   32.0 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER  327.436   46.372  154.002 RF   32.0 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER  357.916   33.625  142.165 RF   32.0 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   31.9 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER   46.892   28.603  167.417 RF   31.8 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   31.8 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   31.8 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_pdb EULER  177.081   30.634  164.104 RF   31.7 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   31.7 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   31.6 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER   18.429   45.087  157.304 RF   31.6 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER    7.575   37.533  160.953 RF   31.6 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  198.769   25.167  166.840 RF   31.5 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  166.265   21.735  165.544 RF   31.5 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.581   30.297  164.048 RF   31.5 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   31.5 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  336.110   35.890  166.557 RF   31.5 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  146.950   17.142  166.308 RF   31.4 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.739   31.985  184.348 RF   31.4 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.341   38.390  150.559 RF   31.4 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.474   32.698  151.429 RF   31.4 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   31.4 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.036   32.648  147.192 RF   31.3 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   31.1 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  189.240   22.051  150.334 RF   31.1 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  253.473   26.057  125.285 RF   31.1 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.110   30.878  154.447 RF   31.0 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.762   31.367  167.872 RF   31.0 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  228.391   26.699  154.562 RF   31.0 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   31.0 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   31.0 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   30.9 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.256   34.524  149.387 RF   30.9 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.974   29.645  155.250 RF   30.9 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   30.8 RFZ  3.61

   SOLU TRIAL ENSEMBLE helix_pdb EULER  218.547   18.161  145.862 RF   30.8 RFZ  3.61

   SOLU TRIAL ENSEMBLE helix_pdb EULER  303.734   26.969  141.347 RF   30.7 RFZ  3.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.864   26.397  175.935 RF   30.6 RFZ  3.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER  320.955   40.762  162.779 RF   30.6 RFZ  3.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.962   41.460  165.780 RF   30.6 RFZ  3.59

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   30.6 RFZ  3.59

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.768   30.768  159.195 RF   30.5 RFZ  3.59

   SOLU TRIAL ENSEMBLE helix_pdb EULER  278.380   39.979  147.563 RF   30.4 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_pdb EULER   24.159   35.208  146.586 RF   30.4 RFZ  3.57

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   30.3 RFZ  3.57

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.828   31.579  154.758 RF   30.2 RFZ  3.56

   SOLU TRIAL ENSEMBLE helix_pdb EULER  358.877   42.099  160.512 RF   30.2 RFZ  3.56

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.453   30.103  184.838 RF   30.2 RFZ  3.56

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.928   35.326  159.192 RF   30.1 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.296   30.768  159.195 RF   30.1 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.844   29.075  162.258 RF   30.1 RFZ  3.55 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.785   35.143  156.723 RF   30.0 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   30.0 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  233.342   30.768  159.195 RF   30.0 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   30.0 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   29.9 RFZ  3.53 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.220   27.248  131.429 RF   29.8 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.946   24.365  161.788 RF   29.8 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  131.617   36.655  164.234 RF   29.8 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   29.8 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.743   34.377  143.791 RF   29.8 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.032   30.768  159.195 RF   29.8 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   29.7 RFZ  3.51 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  106.282   35.681  173.279 RF   29.6 RFZ  3.50 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   29.5 RFZ  3.50 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   15.917   37.423  161.819 RF   29.5 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.561   28.504  159.572 RF   29.4 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   29.4 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.097   37.037  173.718 RF   29.3 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  343.011   46.635  157.436 RF   29.3 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.722   30.768  159.195 RF   29.3 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   29.3 RFZ  3.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  313.485   26.129  131.075 RF   29.2 RFZ  3.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.047   28.565  158.082 RF   29.2 RFZ  3.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.664   30.768  159.195 RF   29.2 RFZ  3.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   29.1 RFZ  3.46 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.392   32.726  161.404 RF   29.1 RFZ  3.46 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    4.833   44.857  154.555 RF   29.0 RFZ  3.45 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.863   27.322  179.360 RF   28.9 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.109   33.304  152.137 RF   28.9 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  359.706   33.033  159.523 RF   28.9 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   28.8 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.762   16.527  177.375 RF   28.8 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   22.995   33.287  142.760 RF   28.8 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   28.7 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  233.459   23.584  125.904 RF   28.7 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   28.7 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  126.009   21.007  190.753 RF   28.7 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.808   30.784  187.542 RF   28.6 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  274.252   35.922  130.731 RF   28.6 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   28.6 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   28.6 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  172.249   26.031  175.375 RF   28.5 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  181.693   26.185  158.293 RF   28.5 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   59.341   34.557  163.960 RF   28.5 RFZ  3.40 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  137.842   32.059  167.509 RF   28.5 RFZ  3.40 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.720   17.573  148.852 RF   28.5 RFZ  3.40 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   29.925   26.470  156.022 RF   28.4 RFZ  3.40 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.618   30.768  159.195 RF   28.3 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  100.104   34.745  169.496 RF   28.3 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   28.3 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.730   37.513  173.361 RF   28.1 RFZ  3.37 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   28.0 RFZ  3.36 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  278.572   30.768  159.195 RF   27.8 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  245.347   32.164  155.672 RF   27.8 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.808   32.877  160.804 RF   27.7 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.823   21.941  184.278 RF   27.7 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   25.075   35.127  161.652 RF   27.7 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   27.7 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   75.138   27.668  166.219 RF   27.6 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  312.823   27.721  141.301 RF   27.6 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   57.215   23.048  184.882 RF   27.6 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   27.6 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.355   26.193  160.767 RF   27.6 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   27.6 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.699   38.142  132.918 RF   27.5 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  261.961   38.896  145.291 RF   27.5 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.110   12.358  151.504 RF   27.4 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  345.892   39.456  134.657 RF   27.4 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  354.850   48.818  167.215 RF   27.3 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.900   42.505  150.379 RF   27.3 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.150   30.735  150.055 RF   27.3 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.543   27.342  165.815 RF   27.2 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.626   43.566  148.058 RF   27.2 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.062   29.180  141.228 RF   27.1 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  112.575   36.352  177.116 RF   27.1 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  253.770   38.412  144.024 RF   27.1 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.169   32.279  155.943 RF   27.1 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    6.601   44.316  162.239 RF   27.0 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.480   30.768  159.195 RF   26.9 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    7.988   32.116  142.052 RF   26.9 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   26.9 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  184.225   22.477  136.978 RF   26.8 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    0.508   32.395  174.493 RF   26.8 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   26.8 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   26.8 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  132.877   26.423  162.328 RF   26.8 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   26.8 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  253.329   16.322  128.405 RF   26.7 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.241   22.761  147.523 RF   26.7 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  161.588   31.354  172.956 RF   26.7 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   26.7 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  258.640   35.499  150.202 RF   26.6 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   26.6 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   26.6 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.203   35.142  161.594 RF   26.6 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  271.409   41.333  144.353 RF   26.6 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.485   36.119  146.020 RF   26.6 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  234.885   35.560  145.227 RF   26.5 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    8.133   48.136  170.494 RF   26.5 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   26.5 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.583   29.426  173.150 RF   26.5 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.892   33.430  171.221 RF   26.4 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   26.4 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  112.940   20.739  184.014 RF   26.4 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  117.331   33.855  170.580 RF   26.3 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  268.812   37.670  148.534 RF   26.2 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.577   20.678  156.967 RF   26.2 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  117.584   30.768  159.195 RF   26.2 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.703   31.517  191.458 RF   26.2 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.894   21.081  121.983 RF   26.1 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.835   22.554  121.990 RF   26.1 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.279   27.013  139.028 RF   26.0 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   26.0 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  356.261   44.091  175.132 RF   26.0 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   49.289   33.293  141.902 RF   26.0 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.649   35.266  161.001 RF   25.9 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  257.473   21.040  152.583 RF   25.9 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  102.303   38.569  179.056 RF   25.9 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  171.916   26.205  159.116 RF   25.9 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   18.341   30.410  143.145 RF   25.9 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   24.571   42.548  173.301 RF   25.8 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.664   28.496  175.086 RF   25.8 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.492   30.768  159.195 RF   25.7 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  282.976   18.262  125.802 RF   25.7 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  171.627   26.120  140.191 RF   25.7 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  338.494   31.758  176.517 RF   25.6 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  321.573   36.216  130.604 RF   25.6 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   22.381   43.947  165.284 RF   25.5 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  100.159   31.252  191.179 RF   25.4 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.345   27.956  138.826 RF   25.4 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.400   30.768  159.195 RF   25.4 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  295.017   28.561  150.814 RF   25.4 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.339   33.043  166.696 RF   25.3 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   25.3 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  294.878   21.765  122.370 RF   25.3 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  256.782   13.743  134.615 RF   25.3 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   25.2 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.460   21.314  150.409 RF   25.1 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  354.014   46.558  172.421 RF   25.1 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.906   33.123  175.649 RF   25.0 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   25.0 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.097   26.276  176.788 RF   25.0 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  329.976   34.717  175.198 RF   24.9 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  147.239   28.399  136.646 RF   24.9 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.260   29.319  177.032 RF   24.9 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.674   29.315  136.354 RF   24.9 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   24.9 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.309   12.248  146.366 RF   24.9 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   24.9 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   90.446   30.768  159.195 RF   24.8 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  275.612   36.189  151.620 RF   24.8 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  132.112   33.786  175.113 RF   24.7 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  323.258   49.548  159.401 RF   24.7 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.671   17.584  125.897 RF   24.5 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.186   28.930  150.674 RF   24.5 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  100.219   21.636  148.565 RF   24.5 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.090   40.928  150.040 RF   24.4 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.732   40.369  165.315 RF   24.4 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.853   17.042  135.121 RF   24.3 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   24.3 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  193.813   33.025  138.297 RF   24.3 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  175.253   30.462  175.179 RF   24.3 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   24.2 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  265.244   34.120  153.403 RF   24.2 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.647   47.824  151.290 RF   24.1 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.583   40.879  160.397 RF   24.1 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.323   24.669  141.232 RF   24.0 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.475   47.488  147.891 RF   24.0 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.771   36.460  172.722 RF   23.9 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.674   25.422  121.088 RF   23.8 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.720   40.659  173.356 RF   23.6 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.387   20.578  161.440 RF   23.6 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  354.753   35.057  176.155 RF   23.6 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   23.5 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   23.5 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   23.4 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.350   24.444   96.617 RF   23.3 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.388   40.196  156.612 RF   23.3 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   23.3 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.579   40.955  159.133 RF   23.3 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.503   23.357  174.519 RF   23.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.303   26.896  133.601 RF   23.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  150.964   23.516  187.127 RF   23.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  109.395   40.969  157.891 RF   23.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   33.461   49.419  162.623 RF   23.2 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   23.2 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  271.855   32.527  156.428 RF   23.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.760   41.761  152.978 RF   23.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   39.217   24.887  175.166 RF   23.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.978   35.299  140.263 RF   23.1 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.035   34.851  174.050 RF   23.1 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.765   26.601  136.983 RF   23.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.724   13.530   93.504 RF   23.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  312.617   35.970  173.606 RF   23.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.398   57.665  177.443 RF   23.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.463   11.731  223.636 RF   23.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.783   30.176  192.557 RF   23.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.421   32.003  162.877 RF   22.9 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    4.698   37.016  136.079 RF   22.9 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   77.540   40.554  164.094 RF   22.9 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.845   12.423  144.349 RF   22.9 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  123.236   31.689  163.207 RF   22.9 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  279.431   21.677  148.420 RF   22.8 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  106.135   20.592  161.627 RF   22.8 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    2.250   24.787  138.003 RF   22.7 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   18.088   44.278  180.089 RF   22.6 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   83.122   33.725  189.808 RF   22.6 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.262   28.939  129.773 RF   22.6 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  295.961   26.173  120.258 RF   22.4 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.414    5.368  211.612 RF   22.4 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  349.103   30.540  132.244 RF   22.4 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   67.853   45.121  177.517 RF   22.4 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  173.721   21.562  138.206 RF   22.4 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   58.687   41.572  152.743 RF   22.4 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   12.483   21.810  155.358 RF   22.3 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  271.321   28.944  125.698 RF   22.3 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.705   28.038  181.965 RF   22.2 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  215.420   15.592  125.650 RF   22.2 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.105   29.162  138.969 RF   22.2 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.526   31.131  133.953 RF   22.2 RFZ  2.84 # DEEP

   Scoring 792 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #1 of 1
   0%                 100%
   |===================| DONE

   Mean Score (Sigma):       19.75   ( 6.68)

   SET #1 of 1 TRIAL #176 of 396 (TRIAL #1 of 221 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 266.84  29.07 162.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #177 of 396 (TRIAL #2 of 221 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 316.78  35.14 156.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 3 sites over 67.5% of top
   3 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.250  0.000  0.934     54.169  5.00
   2      0.219  0.000  0.868     52.529  4.67
   3      0.242  0.000  0.923     51.842  4.54

   Top 3 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #177 of 396 (TRIAL #2 of 221 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.250  0.000  0.934     43.998  5.00   0.0      2     54.169/    54.169
   2      0.219  0.000  0.868     43.405  4.67   3.2      1     52.529/    52.529

   SET #1 of 1 TRIAL #178 of 396 (TRIAL #3 of 221 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  41.80  24.60 152.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #179 of 396 (TRIAL #4 of 221 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 233.34  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #180 of 396 (TRIAL #5 of 221 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 133.57  27.81 141.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #181 of 396 (TRIAL #6 of 221 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 207.45  29.35 167.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #182 of 396 (TRIAL #7 of 221 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 322.22  27.25 131.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #183 of 396 (TRIAL #8 of 221 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 239.95  24.37 161.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #184 of 396 (TRIAL #9 of 221 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 131.62  36.65 164.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #185 of 396 (TRIAL #10 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 350.92  26.21 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #186 of 396 (TRIAL #11 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  37.74  34.38 143.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #187 of 396 (TRIAL #12 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler   9.03  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #188 of 396 (TRIAL #13 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  98.11  38.34 149.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #189 of 396 (TRIAL #14 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 106.28  35.68 173.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #190 of 396 (TRIAL #15 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 332.57  27.01 170.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #191 of 396 (TRIAL #16 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  15.92  37.42 161.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #192 of 396 (TRIAL #17 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 341.56  28.50 159.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #193 of 396 (TRIAL #18 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  56.35  20.61 156.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #194 of 396 (TRIAL #19 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  42.10  37.04 173.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #195 of 396 (TRIAL #20 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 343.01  46.64 157.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #196 of 396 (TRIAL #21 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 144.72  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.222 -0.000  0.941     51.460  4.53

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #196 of 396 (TRIAL #21 of 221 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.222 -0.000  0.941     40.624  4.53   0.0      1     51.460/    51.460

   SET #1 of 1 TRIAL #197 of 396 (TRIAL #22 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 266.43  24.03 172.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #198 of 396 (TRIAL #23 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 313.49  26.13 131.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #199 of 396 (TRIAL #24 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  19.05  28.56 158.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #200 of 396 (TRIAL #25 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 296.66  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #201 of 396 (TRIAL #26 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 136.29  40.23 158.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #202 of 396 (TRIAL #27 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  52.39  32.73 161.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #203 of 396 (TRIAL #28 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler   4.83  44.86 154.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #204 of 396 (TRIAL #29 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 156.86  27.32 179.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #205 of 396 (TRIAL #30 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 239.11  33.30 152.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #206 of 396 (TRIAL #31 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 359.71  33.03 159.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #207 of 396 (TRIAL #32 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 217.47  27.18 176.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #208 of 396 (TRIAL #33 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 174.76  16.53 177.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #209 of 396 (TRIAL #34 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  23.00  33.29 142.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #210 of 396 (TRIAL #35 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 165.48  35.57 167.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #211 of 396 (TRIAL #36 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 233.46  23.58 125.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #212 of 396 (TRIAL #37 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 130.85  39.28 153.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #213 of 396 (TRIAL #38 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 126.01  21.01 190.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #214 of 396 (TRIAL #39 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  27.81  30.78 187.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #215 of 396 (TRIAL #40 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 274.25  35.92 130.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #216 of 396 (TRIAL #41 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  27.07  27.83 147.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #217 of 396 (TRIAL #42 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 174.84  35.22 168.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #218 of 396 (TRIAL #43 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 172.25  26.03 175.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #219 of 396 (TRIAL #44 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 181.69  26.18 158.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #220 of 396 (TRIAL #45 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  59.34  34.56 163.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #221 of 396 (TRIAL #46 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 137.84  32.06 167.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #222 of 396 (TRIAL #47 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 206.72  17.57 148.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #223 of 396 (TRIAL #48 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  29.93  26.47 156.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #224 of 396 (TRIAL #49 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 287.62  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #225 of 396 (TRIAL #50 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 100.10  34.75 169.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #226 of 396 (TRIAL #51 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 114.47  38.85 151.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #227 of 396 (TRIAL #52 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 352.73  37.51 173.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #228 of 396 (TRIAL #53 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler   1.14  23.98 157.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #229 of 396 (TRIAL #54 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 278.57  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #230 of 396 (TRIAL #55 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 245.35  32.16 155.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #231 of 396 (TRIAL #56 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  34.81  32.88 160.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #232 of 396 (TRIAL #57 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  66.82  21.94 184.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #233 of 396 (TRIAL #58 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  25.07  35.13 161.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #234 of 396 (TRIAL #59 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 188.54  36.06 151.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #235 of 396 (TRIAL #60 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  75.14  27.67 166.22 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #236 of 396 (TRIAL #61 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 312.82  27.72 141.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #237 of 396 (TRIAL #62 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  57.21  23.05 184.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #238 of 396 (TRIAL #63 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 351.88  21.68 148.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #239 of 396 (TRIAL #64 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 152.36  26.19 160.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #240 of 396 (TRIAL #65 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 207.91  27.89 176.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #241 of 396 (TRIAL #66 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 290.70  38.14 132.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #242 of 396 (TRIAL #67 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 261.96  38.90 145.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #243 of 396 (TRIAL #68 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 204.11  12.36 151.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #244 of 396 (TRIAL #69 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 345.89  39.46 134.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #245 of 396 (TRIAL #70 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 354.85  48.82 167.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #246 of 396 (TRIAL #71 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  31.90  42.50 150.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #247 of 396 (TRIAL #72 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 350.15  30.73 150.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #248 of 396 (TRIAL #73 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  84.54  27.34 165.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #249 of 396 (TRIAL #74 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 332.63  43.57 148.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #250 of 396 (TRIAL #75 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 331.06  29.18 141.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #251 of 396 (TRIAL #76 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 112.58  36.35 177.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #252 of 396 (TRIAL #77 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 253.77  38.41 144.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #253 of 396 (TRIAL #78 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 254.17  32.28 155.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #254 of 396 (TRIAL #79 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler   6.60  44.32 162.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #255 of 396 (TRIAL #80 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 260.48  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #256 of 396 (TRIAL #81 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler   7.99  32.12 142.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #257 of 396 (TRIAL #82 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 335.56  60.15 153.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #258 of 396 (TRIAL #83 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 184.23  22.48 136.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #259 of 396 (TRIAL #84 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler   0.51  32.40 174.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #260 of 396 (TRIAL #85 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 246.31  25.15 174.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #261 of 396 (TRIAL #86 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 221.27  34.97 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #262 of 396 (TRIAL #87 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 132.88  26.42 162.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #263 of 396 (TRIAL #88 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 276.54  23.49 171.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #264 of 396 (TRIAL #89 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 253.33  16.32 128.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #265 of 396 (TRIAL #90 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 207.24  22.76 147.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #266 of 396 (TRIAL #91 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 161.59  31.35 172.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #267 of 396 (TRIAL #92 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 243.79  38.08 168.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #268 of 396 (TRIAL #93 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 258.64  35.50 150.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #269 of 396 (TRIAL #94 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 168.90  35.29 142.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #270 of 396 (TRIAL #95 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 168.78  39.95 163.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #271 of 396 (TRIAL #96 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 204.20  35.14 161.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #272 of 396 (TRIAL #97 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 271.41  41.33 144.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #273 of 396 (TRIAL #98 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 243.48  36.12 146.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #274 of 396 (TRIAL #99 of 221 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 234.89  35.56 145.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #275 of 396 (TRIAL #100 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler   8.13  48.14 170.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #276 of 396 (TRIAL #101 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 286.88  23.04 169.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #277 of 396 (TRIAL #102 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 192.58  29.43 173.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #278 of 396 (TRIAL #103 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 125.89  33.43 171.22 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #279 of 396 (TRIAL #104 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 302.48  34.53 174.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #280 of 396 (TRIAL #105 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 112.94  20.74 184.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #281 of 396 (TRIAL #106 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 117.33  33.86 170.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #282 of 396 (TRIAL #107 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 268.81  37.67 148.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #283 of 396 (TRIAL #108 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 128.58  20.68 156.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #284 of 396 (TRIAL #109 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 117.58  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.217 -0.000  0.874     51.010  4.86

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #284 of 396 (TRIAL #109 of 221 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.217 -0.000  0.874     39.667  4.86   0.0      1     51.010/    51.010

   SET #1 of 1 TRIAL #285 of 396 (TRIAL #110 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  52.70  31.52 191.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #286 of 396 (TRIAL #111 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 276.89  21.08 121.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #287 of 396 (TRIAL #112 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 285.84  22.55 121.99 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #288 of 396 (TRIAL #113 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  31.28  27.01 139.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #289 of 396 (TRIAL #114 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 296.42  20.58 159.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #290 of 396 (TRIAL #115 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 356.26  44.09 175.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #291 of 396 (TRIAL #116 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  49.29  33.29 141.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #292 of 396 (TRIAL #117 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 195.65  35.27 161.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #293 of 396 (TRIAL #118 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 257.47  21.04 152.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #294 of 396 (TRIAL #119 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 102.30  38.57 179.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #295 of 396 (TRIAL #120 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 171.92  26.20 159.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #296 of 396 (TRIAL #121 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  18.34  30.41 143.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #297 of 396 (TRIAL #122 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  24.57  42.55 173.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #298 of 396 (TRIAL #123 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 350.66  28.50 175.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #299 of 396 (TRIAL #124 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  99.49  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #300 of 396 (TRIAL #125 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 282.98  18.26 125.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #301 of 396 (TRIAL #126 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 171.63  26.12 140.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #302 of 396 (TRIAL #127 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 338.49  31.76 176.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #303 of 396 (TRIAL #128 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 321.57  36.22 130.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #304 of 396 (TRIAL #129 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  22.38  43.95 165.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #305 of 396 (TRIAL #130 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 100.16  31.25 191.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #306 of 396 (TRIAL #131 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 192.34  27.96 138.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #307 of 396 (TRIAL #132 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  81.40  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #308 of 396 (TRIAL #133 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 295.02  28.56 150.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #309 of 396 (TRIAL #134 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 111.34  33.04 166.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #310 of 396 (TRIAL #135 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 219.01  39.25 165.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #311 of 396 (TRIAL #136 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 294.88  21.77 122.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #312 of 396 (TRIAL #137 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 256.78  13.74 134.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #313 of 396 (TRIAL #138 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 285.32  35.80 173.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #314 of 396 (TRIAL #139 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  89.46  21.31 150.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #315 of 396 (TRIAL #140 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 354.01  46.56 172.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #316 of 396 (TRIAL #141 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 140.91  33.12 175.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #317 of 396 (TRIAL #142 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 155.42  39.96 157.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #318 of 396 (TRIAL #143 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  19.10  26.28 176.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #319 of 396 (TRIAL #144 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 329.98  34.72 175.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #320 of 396 (TRIAL #145 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 147.24  28.40 136.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #321 of 396 (TRIAL #146 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler   9.26  29.32 177.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #322 of 396 (TRIAL #147 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 156.67  29.32 136.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #323 of 396 (TRIAL #148 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 260.28  37.31 170.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #324 of 396 (TRIAL #149 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 227.31  12.25 146.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #325 of 396 (TRIAL #150 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 248.54  40.68 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #326 of 396 (TRIAL #151 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  90.45  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #327 of 396 (TRIAL #152 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 275.61  36.19 151.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #328 of 396 (TRIAL #153 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 132.11  33.79 175.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #329 of 396 (TRIAL #154 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 323.26  49.55 159.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #330 of 396 (TRIAL #155 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 264.67  17.58 125.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #331 of 396 (TRIAL #156 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 304.19  28.93 150.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #332 of 396 (TRIAL #157 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 100.22  21.64 148.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #333 of 396 (TRIAL #158 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  42.09  40.93 150.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #334 of 396 (TRIAL #159 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 264.73  40.37 165.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #335 of 396 (TRIAL #160 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 176.85  17.04 135.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #336 of 396 (TRIAL #161 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 163.57  39.98 158.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #337 of 396 (TRIAL #162 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 193.81  33.02 138.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #338 of 396 (TRIAL #163 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 175.25  30.46 175.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #339 of 396 (TRIAL #164 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  10.94  21.02 165.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #340 of 396 (TRIAL #165 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 265.24  34.12 153.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #341 of 396 (TRIAL #166 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  10.65  47.82 151.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #342 of 396 (TRIAL #167 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 125.58  40.88 160.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #343 of 396 (TRIAL #168 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 152.32  24.67 141.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #344 of 396 (TRIAL #169 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 304.48  47.49 147.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #345 of 396 (TRIAL #170 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 276.77  36.46 172.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #346 of 396 (TRIAL #171 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 304.67  25.42 121.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #347 of 396 (TRIAL #172 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 341.72  40.66 173.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #348 of 396 (TRIAL #173 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 285.39  20.58 161.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #349 of 396 (TRIAL #174 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 354.75  35.06 176.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #350 of 396 (TRIAL #175 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 232.62  37.51 171.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #351 of 396 (TRIAL #176 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  34.98  58.45 174.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #352 of 396 (TRIAL #177 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  60.80  26.59 129.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #353 of 396 (TRIAL #178 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 300.35  24.44  96.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #354 of 396 (TRIAL #179 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 183.39  40.20 156.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #355 of 396 (TRIAL #180 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 224.30  30.75 179.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #356 of 396 (TRIAL #181 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 296.58  40.96 159.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #357 of 396 (TRIAL #182 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 209.50  23.36 174.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #358 of 396 (TRIAL #183 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  47.30  26.90 133.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #359 of 396 (TRIAL #184 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 150.96  23.52 187.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #360 of 396 (TRIAL #185 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 109.40  40.97 157.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #361 of 396 (TRIAL #186 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  33.46  49.42 162.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #362 of 396 (TRIAL #187 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 352.12  21.60 169.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #363 of 396 (TRIAL #188 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 271.86  32.53 156.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #364 of 396 (TRIAL #189 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 209.76  41.76 152.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #365 of 396 (TRIAL #190 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  39.22  24.89 175.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #366 of 396 (TRIAL #191 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 217.98  35.30 140.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #367 of 396 (TRIAL #192 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 179.04  34.85 174.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #368 of 396 (TRIAL #193 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 128.76  26.60 136.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #369 of 396 (TRIAL #194 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 287.72  13.53  93.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #370 of 396 (TRIAL #195 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 312.62  35.97 173.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #371 of 396 (TRIAL #196 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  42.40  57.67 177.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #372 of 396 (TRIAL #197 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  72.46  11.73 223.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #373 of 396 (TRIAL #198 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  60.78  30.18 192.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #374 of 396 (TRIAL #199 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 105.42  32.00 162.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #375 of 396 (TRIAL #200 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler   4.70  37.02 136.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #376 of 396 (TRIAL #201 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  77.54  40.55 164.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #377 of 396 (TRIAL #202 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 176.85  12.42 144.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #378 of 396 (TRIAL #203 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 123.24  31.69 163.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #379 of 396 (TRIAL #204 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 279.43  21.68 148.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #380 of 396 (TRIAL #205 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 106.13  20.59 161.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #381 of 396 (TRIAL #206 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler   2.25  24.79 138.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #382 of 396 (TRIAL #207 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  18.09  44.28 180.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #383 of 396 (TRIAL #208 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  83.12  33.73 189.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #384 of 396 (TRIAL #209 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  79.26  28.94 129.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #385 of 396 (TRIAL #210 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 295.96  26.17 120.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #386 of 396 (TRIAL #211 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 101.41   5.37 211.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #387 of 396 (TRIAL #212 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 349.10  30.54 132.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #388 of 396 (TRIAL #213 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  67.85  45.12 177.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #389 of 396 (TRIAL #214 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 173.72  21.56 138.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #390 of 396 (TRIAL #215 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  58.69  41.57 152.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #391 of 396 (TRIAL #216 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  12.48  21.81 155.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #392 of 396 (TRIAL #217 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 271.32  28.94 125.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #393 of 396 (TRIAL #218 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 304.70  28.04 181.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #394 of 396 (TRIAL #219 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 215.42  15.59 125.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #395 of 396 (TRIAL #220 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  99.11  29.16 138.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #396 of 396 (TRIAL #221 of 221 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  84.53  31.13 133.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 62.48 (TFZ=4.5)
   Current Top (ML) Packing Translation Function LLG = 53.58 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   Translation Function Results
   Top1: ENSEMBLE helix_pdb EULER 239.749 32.036 139.851 FRAC 0.058 -0.000 0.754 TF=53.6


   Translation Function Table
   --------------------------
   SET ROT*deep   Top   (Z)     Second   (Z)      Third   (Z) SpaceGroup  Ensemble
     1   1       53.1  4.31       50.7  3.83       49.7  3.47 C 1 2 1  helix_pd   
     1   2       47.7  3.21       47.7  3.24       47.0  3.17 C 1 2 1  helix_pd   
     1   3       50.0  3.83       48.0  3.40       47.7  3.37 C 1 2 1  helix_pd   
     1   4       48.8  3.80       48.7  3.69       47.7  3.64 C 1 2 1  helix_pd   
     1   5       53.6  4.54       49.3  3.79       48.7  3.50 C 1 2 1  helix_pd   
     1   6       48.9  3.71       48.1  3.35       47.3  3.53 C 1 2 1  helix_pd   
     1   7       50.7  3.79       48.9  3.58       47.7  3.71 C 1 2 1  helix_pd   
     1   8       49.2  3.70       48.6  3.48       48.4  3.36 C 1 2 1  helix_pd   
     1   9       47.0  3.42       46.8  3.69       46.3  3.42 C 1 2 1  helix_pd   
     1  10       49.0  3.91       49.0  4.08       48.5  3.74 C 1 2 1  helix_pd   
     1  11       47.4  3.84       44.7  3.58          -     - C 1 2 1  helix_pd   
     1  12       49.6  4.39       48.2  3.70       46.9  3.39 C 1 2 1  helix_pd   
     1  13       51.7  4.78          -     -          -     - C 1 2 1  helix_pd   
     1  14       49.2  4.26          -     -          -     - C 1 2 1  helix_pd   
     1  15       48.3  4.24       46.6  3.79       45.8  3.51 C 1 2 1  helix_pd   
     1  16       48.6  3.98       45.0  3.45       44.9  3.82 C 1 2 1  helix_pd   
     1  17          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  18       46.2  3.68       46.0  3.64       43.3  3.30 C 1 2 1  helix_pd   
     1  19       45.3  3.73       45.2  3.71       44.5  3.46 C 1 2 1  helix_pd   
     1  20       48.6  4.37          -     -          -     - C 1 2 1  helix_pd   
     1  21       45.6  3.64          -     -          -     - C 1 2 1  helix_pd   
     1  22       46.8  4.00          -     -          -     - C 1 2 1  helix_pd   
     1  23       46.9  3.79       45.8  3.62          -     - C 1 2 1  helix_pd   
     1  24       44.8  3.69          -     -          -     - C 1 2 1  helix_pd   
     1  25          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  26       48.8  4.47          -     -          -     - C 1 2 1  helix_pd   
     1  27          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  28       45.0  3.84       43.2  3.58       42.0  3.53 C 1 2 1  helix_pd   
     1  29       45.3  4.09          -     -          -     - C 1 2 1  helix_pd   
     1  30       46.2  3.84       44.4  3.66       43.6  3.72 C 1 2 1  helix_pd   
     1  31          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  32       44.5  3.71          -     -          -     - C 1 2 1  helix_pd   
     1  33       45.4  3.80          -     -          -     - C 1 2 1  helix_pd   
     1  34       43.3  3.71          -     -          -     - C 1 2 1  helix_pd   
     1  35       47.2  4.13       45.6  3.87          -     - C 1 2 1  helix_pd   
     1  36       43.8  4.04          -     -          -     - C 1 2 1  helix_pd   
     1  37          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  38       45.8  4.29          -     -          -     - C 1 2 1  helix_pd   
     1  39          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  40       44.7  3.99          -     -          -     - C 1 2 1  helix_pd   
     1  41          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  42          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  43          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  44          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  45          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  46       44.0  4.16       41.1  3.66          -     - C 1 2 1  helix_pd   
     1  47          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  48       47.9  4.75       45.5  4.03          -     - C 1 2 1  helix_pd   
     1  49       45.3  4.30          -     -          -     - C 1 2 1  helix_pd   
     1  50       48.8  4.88       45.3  4.21          -     - C 1 2 1  helix_pd   
     1  51       50.0  5.07          -     -          -     - C 1 2 1  helix_pd   
     1  52       44.0  3.92          -     -          -     - C 1 2 1  helix_pd   
     1  53       42.6  3.85       41.9  3.85          -     - C 1 2 1  helix_pd   
     1  54       46.1  4.52          -     -          -     - C 1 2 1  helix_pd   
     1  55       41.9  3.84          -     -          -     - C 1 2 1  helix_pd   
     1  56          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  57          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  58       45.9  4.57          -     -          -     - C 1 2 1  helix_pd   
     1  59       44.7  4.21          -     -          -     - C 1 2 1  helix_pd   
     1  60          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  61          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  62       43.0  4.16          -     -          -     - C 1 2 1  helix_pd   
     1  63          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  64       44.1  4.37          -     -          -     - C 1 2 1  helix_pd   
     1  65          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  66          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  67          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  68          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  69          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  70          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  71          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  72          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  73          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  74       44.7  4.40          -     -          -     - C 1 2 1  helix_pd   
     1  75          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  76       45.9  4.37          -     -          -     - C 1 2 1  helix_pd   
     1  77          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  78          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  79          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  80       44.3  4.41          -     -          -     - C 1 2 1  helix_pd   
     1  81          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  82          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  83          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  84          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  85          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  86          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  87          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  88          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  89          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  90          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  91          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  92          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  93          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  94          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  95          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  96          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  97          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  98          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  99          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 100          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 101          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 102          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 103          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 104          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 105       46.6  5.06          -     -          -     - C 1 2 1  helix_pd   
     1 106          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 107       44.6  4.36          -     -          -     - C 1 2 1  helix_pd   
     1 108          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 109          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 110          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 111          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 112          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 113          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 114          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 115          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 116          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 117          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 118          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 119          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 120          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 121          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 122          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 123          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 124          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 125       43.5  4.44          -     -          -     - C 1 2 1  helix_pd   
     1 126          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 127          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 128          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 129          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 130          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 131          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 132          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 133          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 134          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 135          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 136          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 137          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 138          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 139          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 140          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 141          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 142          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 143          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 144          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 145          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 146          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 147          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 148          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 149          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 150          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 151          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 152          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 153          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 154          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 155          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 156          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 157          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 158          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 159       42.0  4.58          -     -          -     - C 1 2 1  helix_pd   
     1 160          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 161          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 162          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 163          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 164          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 165          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 166          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 167          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 168          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 169          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 170          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 171          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 172          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 173          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 174          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 175          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 176*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 177*      44.0  5.00       43.4  4.67          -     - C 1 2 1  helix_pd   
     1 178*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 179*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 180*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 181*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 182*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 183*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 184*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 185*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 186*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 187*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 188*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 189*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 190*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 191*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 192*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 193*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 194*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 195*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 196*      40.6  4.53          -     -          -     - C 1 2 1  helix_pd   
     1 197*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 198*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 199*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 200*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 201*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 202*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 203*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 204*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 205*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 206*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 207*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 208*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 209*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 210*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 211*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 212*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 213*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 214*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 215*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 216*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 217*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 218*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 219*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 220*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 221*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 222*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 223*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 224*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 225*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 226*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 227*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 228*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 229*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 230*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 231*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 232*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 233*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 234*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 235*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 236*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 237*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 238*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 239*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 240*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 241*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 242*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 243*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 244*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 245*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 246*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 247*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 248*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 249*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 250*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 251*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 252*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 253*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 254*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 255*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 256*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 257*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 258*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 259*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 260*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 261*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 262*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 263*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 264*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 265*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 266*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 267*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 268*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 269*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 270*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 271*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 272*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 273*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 274*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 275*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 276*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 277*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 278*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 279*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 280*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 281*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 282*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 283*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 284*      39.7  4.86          -     -          -     - C 1 2 1  helix_pd   
     1 285*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 286*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 287*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 288*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 289*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 290*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 291*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 292*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 293*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 294*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 295*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 296*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 297*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 298*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 299*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 300*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 301*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 302*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 303*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 304*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 305*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 306*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 307*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 308*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 309*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 310*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 311*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 312*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 313*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 314*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 315*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 316*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 317*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 318*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 319*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 320*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 321*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 322*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 323*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 324*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 325*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 326*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 327*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 328*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 329*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 330*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 331*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 332*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 333*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 334*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 335*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 336*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 337*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 338*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 339*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 340*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 341*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 342*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 343*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 344*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 345*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 346*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 347*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 348*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 349*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 350*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 351*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 352*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 353*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 354*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 355*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 356*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 357*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 358*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 359*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 360*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 361*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 362*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 363*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 364*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 365*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 366*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 367*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 368*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 369*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 370*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 371*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 372*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 373*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 374*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 375*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 376*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 377*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 378*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 379*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 380*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 381*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 382*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 383*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 384*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 385*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 386*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 387*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 388*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 389*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 390*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 391*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 392*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 393*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 394*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 395*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 396*         -     -          -     -          -     - C 1 2 1  helix_pd   
   --- ---

---------------
FINAL SELECTION
---------------

   LLG will be used for purge, not FSS
   Top TF  = 53.58
   Top TFZ = 5.07
   Mean TF = 19.75
   Percent used for purge = 75%
   Cutoff for acceptance = 45.1
      TFZ used for final selection = 8
         Number of solutions over TF final cutoff  = 100
         Number of solutions over TFZ final cutoff = 0
         Number of solutions over TF & TFZ cutoff  = 0
   Number of solutions stored before final selection = 150
   Number of solutions stored (deleted) after final selection = 100 (50)


$TABLE : Translation Function Component #1 (helix_pdb):
$GRAPHS 
:TF Number vs LL-gain:AUTO:1,2: :TF Number vs Z-Score:AUTO:1,3: 
$$
Number LLG Z-Score
$$ loggraph $$
1      53.58  4.54
2      53.13  4.31
3      51.67  4.78
4      50.69  3.83
5      50.69  3.79
6      50.02  3.83
7      49.97  5.07
8      49.68  3.47
9      49.58  4.39
10      49.29  3.79
11      49.22  4.26
12      49.20  3.70
13      49.19  3.41
14      49.12  3.25
15      48.99  3.91
16      48.99  4.08
17      48.95  3.58
18      48.94  3.71
19      48.91  3.09
20      48.83  4.47
21      48.78  3.80
22      48.77  4.88
23      48.74  3.50
24      48.70  3.69
25      48.65  3.98
26      48.63  4.37
27      48.55  3.48
28      48.45  3.74
29      48.41  3.36
30      48.34  4.24
31      48.22  3.70
32      48.08  3.35
33      48.04  3.45
34      48.03  3.37
35      47.98  3.40
36      47.95  4.75
37      47.76  2.99
38      47.75  3.26
39      47.73  3.71
40      47.73  3.64
41      47.69  3.21
42      47.68  3.37
43      47.67  3.24
44      47.65  3.31
45      47.49  3.00
46      47.38  3.84
47      47.32  3.53
48      47.27  3.36
49      47.23  3.47
50      47.23  4.13
51      47.16  3.22
52      47.14  3.34
53      47.05  3.42
54      47.04  3.17
55      46.93  3.14
56      46.91  3.79
57      46.87  3.39
58      46.76  3.69
59      46.75  4.00
60      46.74  3.26
61      46.72  3.09
62      46.72  3.26
63      46.67  3.53
64      46.65  5.06
65      46.60  3.79
66      46.55  3.21
67      46.50  3.52
68      46.43  3.22
69      46.29  3.42
70      46.27  3.29
71      46.20  3.68
72      46.19  3.12
73      46.16  3.38
74      46.16  3.84
75      46.15  4.52
76      46.01  3.64
77      45.94  2.99
78      45.93  4.57
79      45.92  2.96
80      45.88  4.37
81      45.84  3.62
82      45.81  3.51
83      45.75  4.29
84      45.74  3.13
85      45.69  3.23
86      45.63  3.64
87      45.62  3.27
88      45.61  3.87
89      45.50  4.03
90      45.41  3.57
91      45.37  3.80
92      45.33  4.21
93      45.32  4.30
94      45.29  3.12
95      45.28  3.73
96      45.27  4.09
97      45.22  3.71
98      45.18  3.22
99      45.17  3.22
100      45.17  3.46
$$

------------
OUTPUT FILES
------------

   No files output

CPU Time: 0 days 0 hrs 1 mins 6.84 secs (     66.84 secs)
Finished: Thu Sep 30 04:34:51 2021

******************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT PACKING ANALYSIS                        2.8.3 ***
******************************************************************************************


---------
ENSEMBLES
---------

   Trace Generation
   ----------------
   Ensemble        Trace-type  Length      Sampling Close-contact
   helix_pdb       all-atom       130          1.50          1.00

-----------------
ENSEMBLE SYMMETRY
-----------------

   Ensemble "helix_pdb" Point Group: 1

   Clash background has been packed at 10.00%

----------------
PACKING FUNCTION
----------------

   There are 100 solutions to pack
   Spreading calculation onto 23 threads.
   Packing analysis
   0%    100%
   |======| DONE


   Packing Table
   -------------
   Solutions accepted if pairwise clashes less than 10 % of trace atoms
   #in  #out Clash-% Symm TF-SET  ROT TFpk#        TF    TFZ    SpaceGroup 
   1    ---  >10.77  --       1     5    1         53.58  4.54  C 1 2 1    
   2    Top1  0      --       1     1    1         53.13  4.31  C 1 2 1    
   3    ---  >10.77  --       1    13    1         51.67  4.78  C 1 2 1    
   4    2     0      --       1     1    2         50.69  3.83  C 1 2 1    
   5    ---  >10.77  --       1     7    1         50.69  3.79  C 1 2 1    
   6    ---  >10.77  --       1     3    1         50.02  3.83  C 1 2 1    
   7    ---  >10.77  --       1    51    1         49.97  5.07  C 1 2 1    
   8    3     0      --       1     1    3         49.68  3.47  C 1 2 1    
   9    4     0      --       1    12    1         49.58  4.39  C 1 2 1    
   10   5     6.923  --       1     5    2         49.29  3.79  C 1 2 1    
   11   ---  >10.77  --       1    14    1         49.22  4.26  C 1 2 1    
   12   6     0      --       1     8    1         49.20  3.70  C 1 2 1    
   13   7     0      --       1     1    4         49.19  3.41  C 1 2 1    
   14   ---  >10.77  --       1     1    5         49.12  3.25  C 1 2 1    
   15   ---  >10.77  --       1    10    1         48.99  3.91  C 1 2 1    
   16   8     0      --       1    10    2         48.99  4.08  C 1 2 1    
   17   ---  >10.77  --       1     7    2         48.95  3.58  C 1 2 1    
   18   ---  >10.77  --       1     6    1         48.94  3.71  C 1 2 1    
   19   ---  >10.77  --       1     1    6         48.91  3.09  C 1 2 1    
   20   ---  >10.77  --       1    26    1         48.83  4.47  C 1 2 1    
   21   ---  >10.77  --       1     4    1         48.78  3.80  C 1 2 1    
   22   ---  >10.77  --       1    50    1         48.77  4.88  C 1 2 1    
   23   ---  >10.77  --       1     5    3         48.74  3.50  C 1 2 1    
   24   ---  >10.77  --       1     4    2         48.70  3.69  C 1 2 1    
   25   ---  >10.77  --       1    16    1         48.65  3.98  C 1 2 1    
   26   ---  >10.77  --       1    20    1         48.63  4.37  C 1 2 1    
   27   ---  >10.77  --       1     8    2         48.55  3.48  C 1 2 1    
   28   ---  >10.77  --       1    10    3         48.45  3.74  C 1 2 1    
   29   ---  >10.77  --       1     8    3         48.41  3.36  C 1 2 1    
   30   9     0      --       1    15    1         48.34  4.24  C 1 2 1    
   31   ---  >10.77  --       1    12    2         48.22  3.70  C 1 2 1    
   32   ---  >10.77  --       1     6    2         48.08  3.35  C 1 2 1    
   33   ---  >10.77  --       1     8    4         48.04  3.45  C 1 2 1    
   34   ---  >10.77  --       1     5    4         48.03  3.37  C 1 2 1    
   35   ---  >10.77  --       1     3    2         47.98  3.40  C 1 2 1    
   36   ---  >10.77  --       1    48    1         47.95  4.75  C 1 2 1    
   37   10    0      --       1     1    7         47.76  2.99  C 1 2 1    
   38   11    0      --       1     8    5         47.75  3.26  C 1 2 1    
   39   ---  >10.77  --       1     7    3         47.73  3.71  C 1 2 1    
   40   12    0      --       1     4    3         47.73  3.64  C 1 2 1    
   41   ---  >10.77  --       1     2    1         47.69  3.21  C 1 2 1    
   42   ---  >10.77  --       1     3    3         47.68  3.37  C 1 2 1    
   43   13    0      --       1     2    2         47.67  3.24  C 1 2 1    
   44   ---  >10.77  --       1     3    4         47.65  3.31  C 1 2 1    
   45   ---  >10.77  --       1     1    8         47.49  3.00  C 1 2 1    
   46   ---  >10.77  --       1    11    1         47.38  3.84  C 1 2 1    
   47   ---  >10.77  --       1     6    3         47.32  3.53  C 1 2 1    
   48   14    0      --       1     6    4         47.27  3.36  C 1 2 1    
   49   ---  >10.77  --       1     5    5         47.23  3.47  C 1 2 1    
   50   ---  >10.77  --       1    35    1         47.23  4.13  C 1 2 1    
   51   15    7.692  --       1     5    6         47.16  3.22  C 1 2 1    
   52   16    0      --       1     6    5         47.14  3.34  C 1 2 1    
   53   ---  >10.77  --       1     9    1         47.05  3.42  C 1 2 1    
   54   17    0      --       1     2    3         47.04  3.17  C 1 2 1    
   55   ---  >10.77  --       1     2    4         46.93  3.14  C 1 2 1    
   56   ---  >10.77  --       1    23    1         46.91  3.79  C 1 2 1    
   57   ---  >10.77  --       1    12    3         46.87  3.39  C 1 2 1    
   58   18    0      --       1     9    2         46.76  3.69  C 1 2 1    
   59   19    0      --       1    22    1         46.75  4.00  C 1 2 1    
   60   20    0      --       1     5    7         46.74  3.26  C 1 2 1    
   61   ---  >10.77  --       1     3    5         46.72  3.09  C 1 2 1    
   62   ---  >10.77  --       1     2    5         46.72  3.26  C 1 2 1    
   63   21    0      --       1    10    4         46.67  3.53  C 1 2 1    
   64   ---  >10.77  --       1   105    1         46.65  5.06  C 1 2 1    
   65   ---  >10.77  --       1    15    2         46.60  3.79  C 1 2 1    
   66   22    0      --       1     6    6         46.55  3.21  C 1 2 1    
   67   ---  >10.77  --       1     7    4         46.50  3.52  C 1 2 1    
   68   ---  >10.77  --       1     5    8         46.43  3.22  C 1 2 1    
   69   ---  >10.77  --       1     9    3         46.29  3.42  C 1 2 1    
   70   23    0      --       1     3    6         46.27  3.29  C 1 2 1    
   71   ---  >10.77  --       1    18    1         46.20  3.68  C 1 2 1    
   72   ---  >10.77  --       1     5    9         46.19  3.12  C 1 2 1    
   73   ---  >10.77  --       1     4    4         46.16  3.38  C 1 2 1    
   74   ---  >10.77  --       1    30    1         46.16  3.84  C 1 2 1    
   75   ---  >10.77  --       1    54    1         46.15  4.52  C 1 2 1    
   76   ---  >10.77  --       1    18    2         46.01  3.64  C 1 2 1    
   77   24    0      --       1     4    5         45.94  2.99  C 1 2 1    
   78   ---  >10.77  --       1    58    1         45.93  4.57  C 1 2 1    
   79   25    9.231  --       1     1    9         45.92  2.96  C 1 2 1    
   80   ---  >10.77  --       1    76    1         45.88  4.37  C 1 2 1    
   81   ---  >10.77  --       1    23    2         45.84  3.62  C 1 2 1    
   82   26    0      --       1    15    3         45.81  3.51  C 1 2 1    
   83   ---  >10.77  --       1    38    1         45.75  4.29  C 1 2 1    
   84   27    0      --       1     7    5         45.74  3.13  C 1 2 1    
   85   28    0      --       1     7    6         45.69  3.23  C 1 2 1    
   86   29    0      --       1    21    1         45.63  3.64  C 1 2 1    
   87   30    0      --       1     4    6         45.62  3.27  C 1 2 1    
   88   ---  >10.77  --       1    35    2         45.61  3.87  C 1 2 1    
   89   ---  >10.77  --       1    48    2         45.50  4.03  C 1 2 1    
   90   31    0      --       1    15    4         45.41  3.57  C 1 2 1    
   91   ---  >10.77  --       1    33    1         45.37  3.80  C 1 2 1    
   92   ---  >10.77  --       1    50    2         45.33  4.21  C 1 2 1    
   93   ---  >10.77  --       1    49    1         45.32  4.30  C 1 2 1    
   94   32    0      --       1     5   10         45.29  3.12  C 1 2 1    
   95   ---  >10.77  --       1    19    1         45.28  3.73  C 1 2 1    
   96   ---  >10.77  --       1    29    1         45.27  4.09  C 1 2 1    
   97   ---  >10.77  --       1    19    2         45.22  3.71  C 1 2 1    
   98   ---  >10.77  --       1    12    4         45.18  3.22  C 1 2 1    
   99   33    0      --       1     9    4         45.17  3.22  C 1 2 1    
   100  ---  >10.77  --       1    15    5         45.17  3.46  C 1 2 1    

   33 accepted of 100 solutions
      33 pack of 33 accepted solutions

------------
OUTPUT FILES
------------

   No files output

CPU Time: 0 days 0 hrs 1 mins 9.08 secs (     69.08 secs)
Finished: Thu Sep 30 04:34:52 2021

******************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT REFINEMENT AND PHASING                  2.8.3 ***
******************************************************************************************


-----------------
TRANSLATIONAL NCS
-----------------

   tNCS not present

-------------------------------
DATA FOR REFINEMENT AND PHASING
-------------------------------

   Outlier Rejection
   -----------------
   No reflections are outliers


   Resolution of All Data (Number):        2.92  48.49 (2447)
   Resolution of Selected Data (Number):   2.92  48.49 (2447)


-------------------
WILSON DISTRIBUTION
-------------------

   Parameters set for Wilson log-likelihood calculation
   E = 0 and variance 1 for each reflection
   Without correction for SigF to the variances,
      Wilson log(likelihood) = - number of acentrics (2035)
                               - half number of centrics (412/2)
                             = -2241
   With correction for SigF,
      Wilson log(likelihood) = -2234.31

----------
ENSEMBLING
----------

   Ensemble Generation
   -------------------
   Resolution of Ensembles: 2.91671
   Scat% Radius Model# Rel-B    RMS   DRMS   VRMS Ensemble                           
    14.1    9.2      1  21.1  0.500  0.000  0.500 helix_pdb                          

   Trace Generation
   ----------------
   Ensemble        Trace-type  Length      Sampling Close-contact
   helix_pdb       all-atom       130          1.50          1.00

----------
REFINEMENT
----------

   Protocol cycle #1 of 1
   Refinement protocol for this macrocycle:
   ROTATION:         REFINE
   TRANSLATION:      REFINE
   BFACTOR:          REFINE
   MODEL VRMS:       FIX
   CELL SCALE:       FIX
   OCCUPANCY FACTOR: FIX
   LAST ONLY:        FALSE
   ROTATION RESTRAINT:    OFF
   TRANSLATION RESTRAINT: OFF

   There are 33 solutions to refine
   Spreading calculation onto 23 threads.
   Refining solutions
   0% 100%
   |===| DONE


   REFINING SET #1 OF 33
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER   35.7   33.6  180.1 FRAC -0.23  0.50 -0.15 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          53.864                62.272                 8.408

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER   34.2   33.1  180.4 FRAC -0.23  0.51 -0.14 BFAC -10.07

   REFINING SET #2 OF 33
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER   35.7   33.6  180.1 FRAC -0.20 -0.00 -0.08 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 6 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          51.171                58.777                 7.605

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER   39.7   32.0  181.3 FRAC -0.20  0.03 -0.08 BFAC -10.38


   REFINING SET #3 OF 33
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER   35.7   33.6  180.1 FRAC -0.11 -0.00 -0.02 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 5 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          50.219                53.825                 3.606

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER   37.7   32.4  180.4 FRAC -0.11  0.02 -0.02 BFAC -7.16

   REFINING SET #4 OF 33
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  307.8   37.6  145.6 FRAC -0.22 -0.00 -0.18 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 6 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          49.914                54.773                 4.859

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  308.4   38.5  146.3 FRAC -0.23  0.02 -0.19 BFAC -6.83


   REFINING SET #5 OF 33
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  239.7   32.0  139.9 FRAC  0.02 -0.00 -0.36 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 4 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          49.183                54.488                 5.305

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  243.3   31.0  138.5 FRAC  0.01 -0.02 -0.35 BFAC -7.00

   REFINING SET #6 OF 33
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  310.8   41.5  152.5 FRAC -0.28 -0.50 -0.18 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          48.620                57.099                 8.479

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  316.3   42.2  152.7 FRAC -0.28 -0.50 -0.18 BFAC -8.86


   REFINING SET #7 OF 33
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER   35.7   33.6  180.1 FRAC  0.10  0.00 -0.09 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 6 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          49.857                54.309                 4.452

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER   40.8   31.9  181.4 FRAC  0.10  0.03 -0.08 BFAC -8.83

   REFINING SET #8 OF 33
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  319.3   44.0  153.0 FRAC -0.28 -0.50 -0.18 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 6 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          49.044                57.094                 8.049

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  316.1   42.2  152.6 FRAC -0.28 -0.52 -0.18 BFAC -8.97


   REFINING SET #9 OF 33
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  334.8   42.1  156.5 FRAC -0.36 -0.50 -0.51 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 6 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          48.003                51.287                 3.283

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  331.9   41.1  156.6 FRAC -0.36 -0.51 -0.52 BFAC -5.48

   REFINING SET #10 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER   35.7   33.6  180.1 FRAC -0.18 -0.00 -0.03 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          48.185                53.176                 4.991

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER   40.9   32.0  180.7 FRAC -0.18  0.02 -0.03 BFAC -8.15


   REFINING SET #11 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  310.8   41.5  152.5 FRAC -0.10  0.00 -0.46 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          47.396                50.764                 3.368

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  309.3   40.6  150.9 FRAC -0.10 -0.02 -0.46 BFAC -6.62

   REFINING SET #12 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  272.2   32.1  134.6 FRAC -0.13  0.00 -0.39 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          47.486                57.249                 9.763

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  273.2   35.5  137.9 FRAC -0.12  0.04 -0.40 BFAC -8.74


   REFINING SET #13 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  132.6   24.8  184.1 FRAC -0.18 -0.00 -0.48 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          46.940                56.913                 9.974

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  129.3   26.6  183.4 FRAC -0.18  0.01 -0.48 BFAC -8.64

   REFINING SET #14 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  118.9   30.7  179.4 FRAC -0.17 -0.00 -0.50 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 8 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          46.873                57.082                10.209

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  124.5   28.2  182.8 FRAC -0.17 -0.02 -0.49 BFAC -9.05


   REFINING SET #15 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  239.7   32.0  139.9 FRAC -0.12  0.00 -0.15 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 5 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          46.991                52.560                 5.568

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  242.4   31.1  137.9 FRAC -0.12 -0.01 -0.14 BFAC -6.03

   REFINING SET #16 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  118.9   30.7  179.4 FRAC -0.14  0.00 -0.44 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 15 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          46.936                53.936                 7.000

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  121.0   26.9  181.8 FRAC -0.15  0.02 -0.43 BFAC -7.33


   REFINING SET #17 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  132.6   24.8  184.1 FRAC -0.30 -0.00 -0.09 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 4 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          46.139                52.561                 6.422

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  128.8   25.7  184.0 FRAC -0.31  0.02 -0.10 BFAC -8.95

   REFINING SET #18 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  330.7   38.3  140.5 FRAC  0.12 -0.00 -0.11 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          46.845                56.242                 9.398

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  326.8   35.2  137.6 FRAC  0.13 -0.05 -0.10 BFAC -9.63


   REFINING SET #19 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER   18.3   35.3  178.6 FRAC -0.25  0.50 -0.20 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 6 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          47.390                53.274                 5.885

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER   24.1   34.9  179.4 FRAC -0.26  0.51 -0.20 BFAC -6.96

   REFINING SET #20 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  239.7   32.0  139.9 FRAC -0.34  0.50 -0.19 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 5 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          46.657                51.208                 4.551

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  242.8   31.2  136.9 FRAC -0.35  0.50 -0.19 BFAC -5.03


   REFINING SET #21 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  319.3   44.0  153.0 FRAC -0.25  0.00 -0.12 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 8 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          46.726                54.100                 7.373

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  323.8   43.3  155.8 FRAC -0.24  0.01 -0.13 BFAC -7.38


   REFINING SET #22 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  118.9   30.7  179.4 FRAC -0.42  0.50 -0.51 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 13 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          46.111                56.324                10.213

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  122.2   28.7  181.6 FRAC -0.43  0.49 -0.50 BFAC -9.06


   REFINING SET #23 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  263.5   21.1  136.3 FRAC -0.27 -0.00 -0.16 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 4 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          46.440                51.614                 5.174

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  272.3   23.3  134.9 FRAC -0.26 -0.01 -0.16 BFAC -6.94


   REFINING SET #24 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  272.2   32.1  134.6 FRAC -0.04 -0.00 -0.45 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          46.263                53.875                 7.613

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  276.8   35.1  137.7 FRAC -0.04  0.02 -0.46 BFAC -8.37


   REFINING SET #25 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER   35.7   33.6  180.1 FRAC -0.40  0.50 -0.37 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          46.530                54.640                 8.111

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER   40.3   32.5  179.8 FRAC -0.40  0.51 -0.37 BFAC -7.55


   REFINING SET #26 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  334.8   42.1  156.5 FRAC -0.17  0.00 -0.13 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 5 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          45.479                47.934                 2.455

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  333.1   42.5  157.4 FRAC -0.17  0.01 -0.13 BFAC -4.51


   REFINING SET #27 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  245.9   28.8  133.3 FRAC -0.21 -0.00 -0.01 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 6 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          45.218                50.945                 5.726

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  256.6   32.2  135.4 FRAC -0.20 -0.04 -0.02 BFAC -4.71


   REFINING SET #28 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  245.9   28.8  133.3 FRAC -0.40 -0.50 -0.40 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 5 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          45.192                50.330                 5.138

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  254.0   32.2  135.7 FRAC -0.40 -0.52 -0.41 BFAC -5.48


   REFINING SET #29 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER    8.5   39.1  169.4 FRAC -0.34  0.50 -0.50 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 5 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          45.649                50.635                 4.986

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER    9.8   39.0  171.5 FRAC -0.34  0.53 -0.50 BFAC -6.94


   REFINING SET #30 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  272.2   32.1  134.6 FRAC -0.28 -0.00 -0.06 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 8 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          45.771                53.126                 7.355

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  277.2   35.8  136.9 FRAC -0.28  0.03 -0.07 BFAC -6.82


   REFINING SET #31 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  334.8   42.1  156.5 FRAC -0.23  0.00 -0.13 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          44.969                54.105                 9.137

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  327.4   42.8  157.5 FRAC -0.24  0.02 -0.12 BFAC -6.82


   REFINING SET #32 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  239.7   32.0  139.9 FRAC -0.39  0.50 -0.41 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          45.352                51.991                 6.640

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  242.3   30.4  137.2 FRAC -0.40  0.48 -0.41 BFAC -6.56


   REFINING SET #33 OF 33
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  330.7   38.3  140.5 FRAC -0.15 -0.00 -0.05 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 5 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          44.985                52.093                 7.107

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_pdb EULER  330.7   35.8  137.6 FRAC -0.14 -0.05 -0.05 BFAC -8.10


   Mean and Sigma after Refinement (for Purge)
   -------------------------------------------
   Scoring 528 randomly sampled orientations and translations

   Spreading calculation onto 23 threads.
   Generating Statistics
   0% 100%
   |===| DONE

   Mean Score for Purge before Refinement:  19.75
   Mean Score for Purge after Refinement :  32.27

$TABLE : Refinement After Placing Component #1 (helix_pdb  2.92A) :
$GRAPHS 
:Solution Number vs LL-gain:AUTO:1,2,3: :Solution Number vs R-value:AUTO:1,4,5: 
$$
Number final-LLG initial-LLG final-R initial-R
$$ loggraph $$
1      62.72      53.13 56.81 57.88
2      59.21      50.69 57.87 58.51
3      54.55      49.68 57.79 58.52
4      55.25      49.58 60.36 61.31
5      54.43      49.29 58.97 58.89
6      58.36      49.20 57.75 57.82
7      54.99      49.19 58.24 58.62
8      58.43      48.99 57.80 57.90
9      51.09      48.34 59.21 59.10
10      53.39      47.76 58.42 58.67
11      51.16      47.75 58.54 58.29
12      58.67      47.73 59.52 61.07
13      57.06      47.67 57.45 58.25
14      57.52      47.27 57.57 58.08
15      53.12      47.16 59.14 58.97
16      54.22      47.14 59.03 58.17
17      53.40      47.04 57.81 58.33
18      57.55      46.76 58.27 60.07
19      53.97      46.75 57.70 58.56
20      51.07      46.74 57.72 57.68
21      53.53      46.67 58.38 58.83
22      56.96      46.55 57.76 58.25
23      52.20      46.27 59.48 59.25
24      54.43      45.94 59.87 60.97
25      54.67      45.92 58.48 58.95
26      48.81      45.81 59.72 60.15
27      50.14      45.74 58.90 58.58
28      50.88      45.69 58.48 58.88
29      51.45      45.63 58.95 59.44
30      53.39      45.62 59.64 61.11
31      53.93      45.41 58.44 59.75
32      52.57      45.29 58.29 58.68
33      53.25      45.17 58.40 60.80
$$
---------------
FIND DUPLICATES
---------------

   Check for nearly equivalent solutions
   Spreading calculation onto 23 threads.
   Calculating Duplicates for 33 solutions
   0% 100%
   |===| DONE

   3 duplicate solutions found

---------------------
FIND TEMPLATE MATCHES
---------------------

   No Template Solution(s) for comparison


---------------
PURGE SELECTION
---------------

   Purge solutions according to highest LLG from Refinement
   --------------------------------------------------------
   Top LLG (all) = 62.7215
   Top LLG (packs) = 62.7215
   Mean LLG = 32.271
   Percent used for purge = 75%
      Cutoff for acceptance = 55.1
   Number used for purge  = 50
      Cutoff for acceptance = 48.8
   All Z-scores over 8 retained
      Number high TFZ retained = 0
   Overall cutoff for acceptance (excluding high TFZ) = 55.1
   Number of solutions stored before purge = 33
   Number of solutions stored (deleted) after purge = 10 (23)


---------------
TFZ EQUIVALENTS
---------------

   Refined TFZ equivalents calculated
   1 top TFZ equivalents calculated

   SOLUTION #1 OF 33
   -----------------
   TFZ equivalent calculation #1 of 1
      TOPFILE

   Spreading calculation onto 23 threads.
   Generating Statistics
   0%                     100%
   |=======================| DONE

   Mean Score (Sigma):       32.62   (5.89)
   Refined TF/TFZ equivalent = 62.72/  5.1 (Unrefined TF/TFZ=53.13/  4.3)


-------
RESULTS
-------

   Refinement Table (Sorted)
   -------------------------
   Refinement to full resolution
   #out =#out #in =T (Start LLG Rval TFZ) (Refined LLG Rval TFZ==) SpaceGroup  Cntrst
   Top1 ---   1            53.1 57.9  4.3         62.7 56.8  5.1   C 1 2 1      1.130
   2    ---   2            50.7 58.5  3.8         59.2 57.9  n/a   C 1 2 1      1.020
   3    ---   12           47.7 61.1  3.6         58.7 59.5  n/a   C 1 2 1      1.009
   4    ---   8            49.0 57.9  4.1         58.4 57.8  n/a   C 1 2 1      1.032
   ---  4     6            49.2 57.8  3.7         58.4 57.8  n/a   C 1 2 1      1.032
   5    ---   18           46.8 60.1  4.3         57.6 58.3  n/a   C 1 2 1      1.001
   6    ---   14           47.3 58.1  3.4         57.5 57.6  n/a   C 1 2 1      1.004
   ---  6     13           47.7 58.3  3.2         57.1 57.5  n/a   C 1 2 1      1.004
   7    ---   22           46.6 58.2  3.2         57.0 57.8  n/a   C 1 2 1      1.074
   8    ---   4            49.6 61.3  4.4         55.3 60.4  n/a   C 1 2 1      1.012
   ---  ---   7            49.2 58.6  3.4         55.0 58.2  n/a   C 1 2 1      1.014
   ---  ---   25           45.9 59.0  3.0         54.7 58.5  n/a   C 1 2 1      1.006
   ---  ---   3            49.7 58.5  3.5         54.5 57.8  n/a   C 1 2 1      1.005
   ---  ---   5            49.3 58.9  3.8         54.4 59.0  n/a   C 1 2 1      1.000
   ---  ---   24           45.9 61.0  3.0         54.4 59.9  n/a   C 1 2 1      1.010
   ---  ---   16           47.1 58.2  3.3         54.2 59.0  n/a   C 1 2 1      1.011
   ---  ---   19           46.8 58.6  4.0         54.0 57.7  n/a   C 1 2 1      1.002
   ---  ---   31           45.4 59.7  3.6         53.9 58.4  n/a   C 1 2 1      1.006
   ---  ---   21           46.7 58.8  3.5         53.5 58.4  n/a   C 1 2 1      1.006
   ---  ---   17           47.0 58.3  3.2         53.4 57.8  n/a   C 1 2 1      1.000
   ---  ---   30           45.6 61.1  3.3         53.4 59.6  n/a   C 1 2 1      1.000
   ---  ---   10           47.8 58.7  3.0         53.4 58.4  n/a   C 1 2 1      1.007
   ---  ---   33           45.2 60.8  3.2         53.2 58.4  n/a   C 1 2 1      1.006
   ---  ---   15           47.2 59.0  3.2         53.1 59.1  n/a   C 1 2 1      1.027
   ---  ---   32           45.3 58.7  3.1         52.6 58.3  n/a   C 1 2 1      1.018
   ---  ---   23           46.3 59.3  3.3         52.2 59.5  n/a   C 1 2 1      1.039
   ---  ---   29           45.6 59.4  3.6         51.5 58.9  n/a   C 1 2 1      1.015
   ---  ---   11           47.7 58.3  3.3         51.2 58.5  n/a   C 1 2 1      1.004
   ---  ---   9            48.3 59.1  4.2         51.1 59.2  n/a   C 1 2 1      1.001
   ---  ---   20           46.7 57.7  3.3         51.1 57.7  n/a   C 1 2 1      1.011
   ---  ---   28           45.7 58.9  3.2         50.9 58.5  n/a   C 1 2 1      1.041
   ---  ---   27           45.7 58.6  3.1         50.1 58.9  n/a   C 1 2 1      1.080
   ---  ---   26           45.8 60.2  3.5         48.8 59.7  n/a   C 1 2 1       n/a 

   Refinement Table (Variance Ranges)
   ----------------------------------
   Range of delta-VRMS and VRMS given over current solution list (33 solution(s))
   Ensemble        Model#   RMS   Delta-VRMS min/max  (VRMS min/max)
   helix_pdb            1   0.500   +0.000/+0.000    ( 0.500/ 0.500 )


------------
OUTPUT FILES
------------

   Calculation of Map Coefficients
   -------------------------------
   1 top map coefficients calculated

   Map coefficient calculated for top solution #1
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER   34.2   33.1  180.4 FRAC -0.23  0.51 -0.14 BFAC -10.07 #TFZ==5.1

   No files output


CPU Time: 0 days 0 hrs 1 mins 15.02 secs (     75.02 secs)
Finished: Thu Sep 30 04:34:52 2021

******************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                               2.8.3 ***
******************************************************************************************

** Current is Best Solution (first search)
** Current solution has 1 component
** New Best LLG = 62.7 (resolution = 2.92)
** Best Component so far = helix_pdb 

CPU Time: 0 days 0 hrs 1 mins 15.02 secs (     75.02 secs)
Finished: Thu Sep 30 04:34:52 2021

******************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                               2.8.3 ***
******************************************************************************************

   First component placed

CPU Time: 0 days 0 hrs 1 mins 15.02 secs (     75.02 secs)
Finished: Thu Sep 30 04:34:52 2021

******************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                               2.8.3 ***
******************************************************************************************

** Solution stored for possible reversion if next search fails
** Number of solutions = 8
** Solution TOP LLG = 62.7
** Solution TOP TFZ = 5.1

CPU Time: 0 days 0 hrs 1 mins 15.02 secs (     75.02 secs)
Finished: Thu Sep 30 04:34:52 2021

******************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                               2.8.3 ***
******************************************************************************************

** Search: Next component
** Search Order (next search *) (placed +):
**    #1   helix_pdb +
**    #2   helix_pdb *
**    #3   helix_pdb 
**    #4   helix_pdb 

CPU Time: 0 days 0 hrs 1 mins 15.02 secs (     75.02 secs)
Finished: Thu Sep 30 04:34:52 2021

******************************************************************************************
*** Phaser Module: EXPECTED LLG OF ENSEMBLES                                     2.8.3 ***
******************************************************************************************


-----------------
TRANSLATIONAL NCS
-----------------

   tNCS not present


   Resolution of Data (Selected):    2.917 (2.91671)
   Number of Reflections (Selected): 2447 (2447)
   eLLG Target: 225


----------
ENSEMBLING
----------

   Guide to eLLG values
   ---------------------
   eLLG      Top solution correct?
   <25       -no 
   25-36     -unlikely
   36-49     -possibly
   49-64     -probably
   >64       -yes


-----------------
POLY-ALANINE ELLG
-----------------

   Resolution = 2.91671
   Default RMSD = 0.1 0.2 0.4 0.8 1.6 3.2
   Minimum solvent = 20%
      Maximum number of polyalanine residues = 140 (-full-)
   Alanine residues for eLLG target = 79

   Table of Alanine Residues for eLLG Target
   -----------------------------------------
                  ---RMSD--- 
   eLLG-target |  0.10  0.20  0.40  0.80  1.60  3.20 
           225 |    79    81    91   137 -full--full-
           196 |    74    76    85   128 -full--full-
           169 |    69    71    79   119 -full--full-
           144 |    63    65    73   110 -full--full-
           121 |    58    60    67   100 -full--full-
           100 |    53    54    61    91 -full--full-
            81 |    47    49    54    82 -full--full-
            64 |    42    43    48    73 -full--full-
            49 |    37    38    42    64 -full--full-
            36 |    31    32    36    55 -full--full-
            25 |    26    27    30    45   136 -full-
            16 |    21    21    24    36   108 -full-
             9 |    15    16    18    27    81 -full-
             4 |    10    10    12    18    54 -full-
             1 |     5     5     6     9    27 -full-

--------------
MONOMERIC ELLG
--------------

   Expected LLG (eLLG)
   -------------------
   eLLG: eLLG of ensemble alone
       eLLG   RMSD frac-scat  Ensemble
       14.1  0.500   0.14128  helix_pdb

   Resolution for eLLG target
   --------------------------
   eLLG-reso: Resolution to achieve target eLLG (225)
     eLLG-reso  Ensemble
   > 2.92(all)  helix_pdb

   Resolution for eLLG target: data collection
   -------------------------------------------
   eLLG-reso: Resolution to achieve target eLLG (225) with perfect data
     eLLG-reso  Ensemble
        >1.2A   helix_pdb

   Expected LLG (eLLG): Chains
   ---------------------------
   eLLG: eLLG of chain alone
       eLLG   RMSD frac-scat chain  Ensemble
       14.1  0.500   0.14128  " A"  helix_pdb

   Resolution for eLLG target: Chains
   ----------------------------------
   eLLG-reso: Resolution to achieve target eLLG (225)
     eLLG-reso chain  Ensemble
   > 2.92(all)  " A"  helix_pdb

------------------
ELLG FOR SOLUTIONS
------------------

   eLLG Table for Addition
   -----------------------
   eLLG--: eLLG of already placed components
   eLLG++: eLLG of ensemble when added to already placed components
   eLLG-reso: Resolution to achieve target eLLG (225)
      #   eLLG--   eLLG++   eLLG-reso   RMSD frac-scat  Ensemble
      1     14.1     56.4 > 2.92(all)  0.500   0.14128  helix_pdb
   ----
      2     14.1     56.4 > 2.92(all)  0.500   0.14128  helix_pdb
   ----
      3     14.1     56.4 > 2.92(all)  0.500   0.14128  helix_pdb
   ----
      4     14.1     56.4 > 2.92(all)  0.500   0.14128  helix_pdb
   ----
      5     14.1     56.4 > 2.92(all)  0.500   0.14128  helix_pdb
   ----
      6     14.1     56.4 > 2.92(all)  0.500   0.14128  helix_pdb
   ----
      7     14.1     56.4 > 2.92(all)  0.500   0.14128  helix_pdb
   ----
      8     14.1     56.4 > 2.92(all)  0.500   0.14128  helix_pdb
   ----


------------------------------------------------------------------------------------------
Advisory: 
eLLG indicates that best placement of ensemble "helix_pdb" will probably be correct in the
context of already correctly placed components
------------------------------------------------------------------------------------------


--------------------
HOMO-OLIGOMERIC ELLG
--------------------

   eLLG calculated with top solution placed
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER   34.2   33.1  180.4 FRAC -0.23  0.51 -0.14 BFAC -10.07

   Number of copies for eLLG target
   --------------------------------
   eLLG-target   RMSD frac-scat-known frac-scat   num-copies  Ensemble
           225  0.500         0.28255   0.42383            3  helix_pdb

CPU Time: 0 days 0 hrs 1 mins 15.06 secs (     75.06 secs)
Finished: Thu Sep 30 04:34:52 2021

******************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT ROTATION FUNCTION                       2.8.3 ***
******************************************************************************************


-----------------
TRANSLATIONAL NCS
-----------------

   tNCS not present

--------------------------
DATA FOR ROTATION FUNCTION
--------------------------


   High resolution limit unaltered by RMS of ensemble
   High resolution limit unaltered by expected LLG


   Outlier Rejection
   -----------------
   No reflections are outliers

   Resolution of All Data (Number):        2.92  48.49 (2447)
   Resolution of Selected Data (Number):   2.92  48.49 (2447)

-------------------
WILSON DISTRIBUTION
-------------------

   Parameters set for Wilson log-likelihood calculation
   E = 0 and variance 1 for each reflection
   Without correction for SigF to the variances,
      Wilson log(likelihood) = - number of acentrics (2035)
                               - half number of centrics (412/2)
                             = -2241
   With correction for SigF,
      Wilson log(likelihood) = -2234.31

----------
ENSEMBLING
----------

   Ensemble Generation
   -------------------
   Resolution of Ensembles: 2.91671
   Scat% Radius Model# Rel-B    RMS   DRMS   VRMS Ensemble                           
    14.1    9.2      1  21.1  0.500  0.000  0.500 helix_pdb                          

-----------------
ROTATION FUNCTION
-----------------

   Ensemble configured to resolution  2.92
   Elmn for Search Ensemble
   Spreading calculation onto 23 threads.
   Elmn Calculation for Search Ensemble
   0%                   100%
   |=====================| DONE

   Target Function: FAST LERF1

-------------------------
ROTATION FUNCTION #1 OF 8
-------------------------

   Search Ensemble: helix_pdb

   ANNOTATION:  RFZ=4.7 TFZ=4.3 PAK=0 LLG=63 TFZ==5.1
   Sampling:  9.05 degrees

   SOLU SET  RFZ=4.7 TFZ=4.3 PAK=0 LLG=63 TFZ==5.1
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER   34.2   33.1  180.4 FRAC -0.23  0.51 -0.14 BFAC -10.07 #TFZ==5.1

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 23 threads.
   Elmn Calculation for Data
   0%                       100%
   |=========================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 23 threads.
   Clmn Calculation
   0% 100%
   |==| DONE

   Helix for model: cluster angle reduced
   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 52.5% of top
   There were 495 sites over 52.5% of top
   495 peaks selected
   The sites over 52.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       65.1   29.9  146.5    100.000  4.52
   2      144.5   34.2  148.9     98.775  4.47
   3      311.9   26.5  162.4     98.111  4.44
   #Sites = 495: output truncated to 3 sites

   Top 495 rotations before clustering will be rescored
   Spreading calculation onto 23 threads
   Calculating Likelihood for RF #1 of 8
   0%                     100%
   |=======================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 23 threads
   Generating Statistics for RF #1 of 8
   0%                     100%
   |=======================| DONE

   Highest Score (Z-score):  92.045   ( 4.10)


   New Top (ML) Rotation Function Score (RFZ) = 92.04 (RFZ=4.1) at RF #1

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 293 sites over 60% of top
   The sites over 60% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       61.8   25.2  150.8     92.045  4.10   0.0      1     97.763/    97.763
          118.2  154.8  330.8
   2      260.3   25.9  169.4     92.039  4.10 144.8      1     84.801/    84.801
          279.7  154.1  349.4
   3       81.5   25.9  148.9     91.347  4.03  18.1      8     87.167/    87.167
           98.5  154.1  328.9
   #SITES = 293: OUTPUT TRUNCATED TO 3 SITES

-------------------------
ROTATION FUNCTION #2 OF 8
-------------------------

   Search Ensemble: helix_pdb

   ANNOTATION:  RFZ=4.7 TFZ=3.8 PAK=0 LLG=59
   Sampling:  9.05 degrees

   SOLU SET  RFZ=4.7 TFZ=3.8 PAK=0 LLG=59
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER   39.7   32.0  181.3 FRAC -0.20  0.03 -0.08 BFAC -10.38

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 23 threads.
   Elmn Calculation for Data
   0%                       100%
   |=========================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 23 threads.
   Clmn Calculation
   0% 100%
   |==| DONE

   Helix for model: cluster angle reduced
   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 52.5% of top
   There were 489 sites over 52.5% of top
   489 peaks selected
   The sites over 52.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       65.1   29.9  146.5    100.000  4.50
   2      144.5   34.2  148.9     98.307  4.43
   3       61.8   25.2  150.8     97.797  4.41
   #Sites = 489: output truncated to 3 sites

   Top 489 rotations before clustering will be rescored
   Spreading calculation onto 23 threads
   Calculating Likelihood for RF #2 of 8
   0%                     100%
   |=======================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 23 threads
   Generating Statistics for RF #2 of 8
   0%                     100%
   |=======================| DONE

   Highest Score (Z-score):  88.563   ( 4.01)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 294 sites over 60% of top
   The sites over 60% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      260.3   25.9  169.4     88.563  4.01   0.0      1     84.893/    84.893
          279.7  154.1  349.4
   2       61.8   25.2  150.8     88.511  4.00 144.8      1     97.797/    97.797
          118.2  154.8  330.8
   3       51.9   24.9  151.8     88.131  3.96 135.7      9     94.941/    94.941
          128.1  155.1  331.8
   #SITES = 294: OUTPUT TRUNCATED TO 3 SITES

-------------------------
ROTATION FUNCTION #3 OF 8
-------------------------

   Search Ensemble: helix_pdb

   ANNOTATION:  RFZ=4.6 TFZ=3.6 PAK=0 LLG=59
   Sampling:  9.05 degrees

   SOLU SET  RFZ=4.6 TFZ=3.6 PAK=0 LLG=59
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  273.2   35.5  137.9 FRAC -0.12  0.04 -0.40 BFAC -8.74

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 23 threads.
   Elmn Calculation for Data
   0%                       100%
   |=========================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 23 threads.
   Clmn Calculation
   0% 100%
   |==| DONE

   Helix for model: cluster angle reduced
   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 52.5% of top
   There were 519 sites over 52.5% of top
   519 peaks selected
   The sites over 52.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       65.1   29.9  146.5    100.000  4.45
   2       61.8   25.2  150.8     99.757  4.44
   3      238.5   34.6  163.9     98.565  4.39
   #Sites = 519: output truncated to 3 sites

   Top 519 rotations before clustering will be rescored
   Spreading calculation onto 23 threads
   Calculating Likelihood for RF #3 of 8
   0%                      100%
   |========================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 23 threads
   Generating Statistics for RF #3 of 8
   0%                     100%
   |=======================| DONE

   Highest Score (Z-score):  88.246   ( 4.17)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 289 sites over 60% of top
   The sites over 60% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      260.3   25.9  169.4     88.246  4.17   0.0      1     86.364/    86.364
          279.7  154.1  349.4
   2       61.8   25.2  150.8     87.452  4.09 144.8      1     99.757/    99.757
          118.2  154.8  330.8
   3      154.7   35.4  158.0     86.573  3.99 115.7      1     97.293/    97.293
           25.3  144.6  338.0
   #SITES = 289: OUTPUT TRUNCATED TO 3 SITES

-------------------------
ROTATION FUNCTION #4 OF 8
-------------------------

   Search Ensemble: helix_pdb

   ANNOTATION:  RFZ=4.5 TFZ=4.1 PAK=0 LLG=58
   Sampling:  9.05 degrees

   SOLU SET  RFZ=4.5 TFZ=4.1 PAK=0 LLG=58
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  316.1   42.2  152.6 FRAC -0.28 -0.52 -0.18 BFAC -8.97

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 23 threads.
   Elmn Calculation for Data
   0%                       100%
   |=========================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 23 threads.
   Clmn Calculation
   0% 100%
   |==| DONE

   Helix for model: cluster angle reduced
   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 52.5% of top
   There were 428 sites over 52.5% of top
   428 peaks selected
   The sites over 52.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       65.1   29.9  146.5    100.000  4.64
   2       61.8   25.2  150.8     97.518  4.53
   3      144.5   34.2  148.9     97.239  4.52
   #Sites = 428: output truncated to 3 sites

   Top 428 rotations before clustering will be rescored
   Spreading calculation onto 23 threads
   Calculating Likelihood for RF #4 of 8
   0%                  100%
   |====================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 23 threads
   Generating Statistics for RF #4 of 8
   0%                     100%
   |=======================| DONE

   Highest Score (Z-score):  88.488   ( 4.24)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 253 sites over 60% of top
   The sites over 60% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      260.3   25.9  169.4     88.488  4.24   0.0      1     85.608/    85.608
          279.7  154.1  349.4
   2       61.8   25.2  150.8     88.349  4.23 144.8      1     97.518/    97.518
          118.2  154.8  330.8
   3       51.9   24.9  151.8     87.107  4.09 135.7      7     93.078/    93.078
          128.1  155.1  331.8
   #SITES = 253: OUTPUT TRUNCATED TO 3 SITES

-------------------------
ROTATION FUNCTION #5 OF 8
-------------------------

   Search Ensemble: helix_pdb

   ANNOTATION:  RFZ=4.5 TFZ=3.7 PAK=0 LLG=58
   Sampling:  9.05 degrees

   SOLU SET  RFZ=4.5 TFZ=3.7 PAK=0 LLG=58
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  326.8   35.2  137.6 FRAC  0.13 -0.05 -0.10 BFAC -9.63

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 23 threads.
   Elmn Calculation for Data
   0%                       100%
   |=========================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 23 threads.
   Clmn Calculation
   0% 100%
   |==| DONE

   Helix for model: cluster angle reduced
   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 52.5% of top
   There were 548 sites over 52.5% of top
   548 peaks selected
   The sites over 52.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       65.1   29.9  146.5    100.000  4.50
   2       61.8   25.2  150.8     98.795  4.45
   3      331.4   26.3  160.8     95.469  4.30
   #Sites = 548: output truncated to 3 sites

   Top 548 rotations before clustering will be rescored
   Spreading calculation onto 23 threads
   Calculating Likelihood for RF #5 of 8
   0%                       100%
   |=========================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 23 threads
   Generating Statistics for RF #5 of 8
   0%                     100%
   |=======================| DONE

   Highest Score (Z-score):  87.185   ( 4.26)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 293 sites over 60% of top
   The sites over 60% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      260.3   25.9  169.4     87.185  4.26   0.0      1     87.237/    87.237
          279.7  154.1  349.4
   2       61.8   25.2  150.8     85.776  4.10 144.8      1     98.795/    98.795
          118.2  154.8  330.8
   3      254.3   27.7  166.2     84.383  3.95   9.2      1     85.531/    85.531
          285.7  152.3  346.2
   #SITES = 293: OUTPUT TRUNCATED TO 3 SITES

-------------------------
ROTATION FUNCTION #6 OF 8
-------------------------

   Search Ensemble: helix_pdb

   ANNOTATION:  RFZ=4.6 TFZ=3.4 PAK=0 LLG=58
   Sampling:  9.05 degrees

   SOLU SET  RFZ=4.6 TFZ=3.4 PAK=0 LLG=58
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  124.5   28.2  182.8 FRAC -0.17 -0.02 -0.49 BFAC -9.05

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 23 threads.
   Elmn Calculation for Data
   0%                       100%
   |=========================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 23 threads.
   Clmn Calculation
   0% 100%
   |==| DONE

   Helix for model: cluster angle reduced
   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 52.5% of top
   There were 485 sites over 52.5% of top
   485 peaks selected
   The sites over 52.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       65.1   29.9  146.5    100.000  4.51
   2       61.8   25.2  150.8     99.625  4.49
   3      331.4   26.3  160.8     98.902  4.46
   #Sites = 485: output truncated to 3 sites

   Top 485 rotations before clustering will be rescored
   Spreading calculation onto 23 threads
   Calculating Likelihood for RF #6 of 8
   0%                     100%
   |=======================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 23 threads
   Generating Statistics for RF #6 of 8
   0%                     100%
   |=======================| DONE

   Highest Score (Z-score):  85.324   ( 4.07)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 286 sites over 60% of top
   The sites over 60% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      260.3   25.9  169.4     85.324  4.07   0.0      1     84.534/    84.534
          279.7  154.1  349.4
   2       61.8   25.2  150.8     85.156  4.05 144.8      1     99.625/    99.625
          118.2  154.8  330.8
   3      330.4   24.0  161.8     84.375  3.96  63.4      6     97.555/    98.902
          209.6  156.0  341.8
   #SITES = 286: OUTPUT TRUNCATED TO 3 SITES

-------------------------
ROTATION FUNCTION #7 OF 8
-------------------------

   Search Ensemble: helix_pdb

   ANNOTATION:  RFZ=4.6 TFZ=3.2 PAK=0 LLG=57
   Sampling:  9.05 degrees

   SOLU SET  RFZ=4.6 TFZ=3.2 PAK=0 LLG=57
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  122.2   28.7  181.6 FRAC -0.43  0.49 -0.50 BFAC -9.06

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 23 threads.
   Elmn Calculation for Data
   0%                       100%
   |=========================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 23 threads.
   Clmn Calculation
   0% 100%
   |==| DONE

   Helix for model: cluster angle reduced
   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 52.5% of top
   There were 489 sites over 52.5% of top
   489 peaks selected
   The sites over 52.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       65.1   29.9  146.5    100.000  4.62
   2       61.8   25.2  150.8     98.793  4.57
   3      331.4   26.3  160.8     95.728  4.43
   #Sites = 489: output truncated to 3 sites

   Top 489 rotations before clustering will be rescored
   Spreading calculation onto 23 threads
   Calculating Likelihood for RF #7 of 8
   0%                     100%
   |=======================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 23 threads
   Generating Statistics for RF #7 of 8
   0%                     100%
   |=======================| DONE

   Highest Score (Z-score):  87.086   ( 4.25)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 264 sites over 60% of top
   The sites over 60% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       61.8   25.2  150.8     87.086  4.25   0.0      1     98.793/    98.793
          118.2  154.8  330.8
   2       51.9   24.9  151.8     85.871  4.12   9.0      8     95.586/    95.586
          128.1  155.1  331.8
   3      260.3   25.9  169.4     85.828  4.11 144.8      1     80.314/    80.314
          279.7  154.1  349.4
   #SITES = 264: OUTPUT TRUNCATED TO 3 SITES

-------------------------
ROTATION FUNCTION #8 OF 8
-------------------------

   Search Ensemble: helix_pdb

   ANNOTATION:  RFZ=4.4 TFZ=4.4 PAK=0 LLG=55
   Sampling:  9.05 degrees

   SOLU SET  RFZ=4.4 TFZ=4.4 PAK=0 LLG=55
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  308.4   38.5  146.3 FRAC -0.23  0.02 -0.19 BFAC -6.83

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 23 threads.
   Elmn Calculation for Data
   0%                       100%
   |=========================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 23 threads.
   Clmn Calculation
   0% 100%
   |==| DONE

   Helix for model: cluster angle reduced
   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 52.5% of top
   There were 475 sites over 52.5% of top
   475 peaks selected
   The sites over 52.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       65.1   29.9  146.5    100.000  4.47
   2       61.8   25.2  150.8     98.468  4.40
   3      238.5   34.6  163.9     97.811  4.37
   #Sites = 475: output truncated to 3 sites

   Top 475 rotations before clustering will be rescored
   Spreading calculation onto 23 threads
   Calculating Likelihood for RF #8 of 8
   0%                    100%
   |======================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 23 threads
   Generating Statistics for RF #8 of 8
   0%                     100%
   |=======================| DONE

   Highest Score (Z-score):  83.588   ( 4.01)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 288 sites over 60% of top
   The sites over 60% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      260.3   25.9  169.4     83.588  4.01   0.0      1     86.227/    86.227
          279.7  154.1  349.4
   2       61.8   25.2  150.8     83.306  3.98 144.8      1     98.468/    98.468
          118.2  154.8  330.8
   3       81.5   25.9  148.9     82.301  3.88 162.8      7     86.505/    86.505
           98.5  154.1  328.9
   #SITES = 288: OUTPUT TRUNCATED TO 3 SITES

   Rotation Function Results
   Top1: ENSEMBLE helix_pdb EULER 61.810 25.190 150.758 RF=92.0 RFZ=4.10


   Rotation Function Table: helix_pdb
   ----------------------------------
   (Z-scores from Fast Rotation Function)
   #SET        Top    (Z)      Second    (Z)       Third    (Z)
   1         92.04   4.10       92.04   4.10       91.35   4.03
   2         88.56   4.01       88.51   4.00       88.13   3.96
   3         88.25   4.17       87.45   4.09       86.57   3.99
   4         88.49   4.24       88.35   4.23       87.11   4.09
   5         87.18   4.26       85.78   4.10       84.38   3.95
   6         85.32   4.07       85.16   4.05       84.37   3.96
   7         87.09   4.25       85.87   4.12       85.83   4.11
   8         83.59   4.01       83.31   3.98       82.30   3.88


---------------
FINAL SELECTION
---------------


   Select by Percentage of Top value: 75%
   Top RF = 92.045
   Purge RF mean = 49.176
   Number of sets stored before final selection = 8
   Number of solutions stored before final selection = 2260
   Number of sets stored (deleted) after final selection = 8 (0)
   Number of solutions stored (deleted) after final selection = 1509 (751)
   Percent used for purge = 60.000%
      Includes deep search down percent = 15%
      Number of solutions stored above (below) deep threshold = 372 (1137)

   Rotation Function Final Selection Table
   ---------------------------------------
   Rotation list length by SET
   SET#  Start Final Deleted Set (*)   Deep: Start Final Deleted Set (*)
      1  106   106         -                 293   293         -
      2  118   66          -                 294   247         -
      3  103   55          -                 289   216         -
      4  96    52          -                 253   195         -
      5  95    34          -                 293   173         -
      6  105   22          -                 286   147         -
      7  88    31          -                 264   153         -
      8  109   6           -                 288   85          -
   ALL   820   372                           2260  1509 


$TABLE : Rotation Function Component #2 (helix_pdb) :
$GRAPHS 
:RF Number vs LL-gain:AUTO:1,2: :RF Number vs Z-Score:AUTO:1,3: 
$$
Number LLG Z-Score
$$ loggraph $$
1      92.04  4.10
2      92.04  4.10
3      91.35  4.03
4      91.30  4.02
5      90.58  3.94
6      90.25  3.91
7      90.21  3.91
8      89.98  3.88
9      89.93  3.88
10      89.77  3.86
11      89.74  3.85
12      89.66  3.85
13      89.36  3.81
14      89.28  3.81
15      89.26  3.80
16      88.99  3.77
17      88.86  3.76
18      88.82  3.76
19      88.78  3.75
20      88.56  4.01
21      88.56  3.73
22      88.55  3.73
23      88.51  3.72
24      88.51  4.00
25      88.49  4.24
26      88.35  4.23
27      88.30  3.70
28      88.25  4.17
29      88.21  3.69
30      88.13  3.68
31      88.13  3.96
32      88.07  3.68
33      87.95  3.66
34      87.90  3.66
35      87.89  3.66
36      87.87  3.65
37      87.81  3.65
38      87.77  3.64
39      87.71  3.64
40      87.62  3.63
41      87.60  3.90
42      87.53  3.62
43      87.45  4.09
44      87.43  3.61
45      87.37  3.60
46      87.27  3.59
47      87.22  3.87
48      87.18  4.26
49      87.14  3.58
50      87.11  4.09
51      87.09  4.25
52      86.94  3.56
53      86.94  3.55
54      86.86  3.83
55      86.85  3.55
56      86.82  3.54
57      86.82  3.82
58      86.70  3.81
59      86.59  4.04
60      86.59  4.04
61      86.57  3.99
62      86.57  3.52
63      86.56  3.80
64      86.53  3.51
65      86.50  3.51
66      86.49  3.51
67      86.42  3.50
68      86.39  3.78
69      86.38  4.02
70      86.37  3.78
71      86.36  3.49
72      86.33  3.97
73      86.24  3.48
74      86.22  3.76
75      86.18  3.76
76      86.12  3.94
77      86.09  3.46
78      86.08  3.46
79      86.07  3.74
80      86.02  3.98
81      85.99  3.74
82      85.92  3.45
83      85.92  3.97
84      85.87  4.12
85      85.84  3.96
86      85.83  4.11
87      85.79  3.43
88      85.78  4.10
89      85.73  3.95
90      85.72  3.90
91      85.68  3.42
92      85.60  3.41
93      85.55  3.88
94      85.53  3.69
95      85.47  3.68
96      85.45  3.68
97      85.38  3.39
98      85.37  3.86
99      85.32  4.07
100      85.31  4.06
101      85.31  3.67
102      85.26  3.66
103      85.16  3.65
104      85.16  4.05
105      85.16  3.84
106      85.16  3.36
107      85.11  3.88
108      85.10  3.84
109      85.08  3.64
110      85.06  3.35
111      85.05  3.64
112      85.01  3.83
113      85.01  3.82
114      84.97  3.34
115      84.97  3.86
116      84.96  3.34
117      84.92  4.01
118      84.88  3.33
119      84.86  3.62
120      84.84  3.33
121      84.81  3.61
122      84.79  3.61
123      84.75  3.80
124      84.75  3.32
125      84.73  3.61
126      84.72  3.60
127      84.72  3.79
128      84.71  3.84
129      84.69  3.79
130      84.68  3.60
131      84.68  3.60
132      84.55  3.97
133      84.54  3.82
134      84.54  3.77
135      84.52  3.82
136      84.52  3.58
137      84.52  3.82
138      84.51  3.77
139      84.49  3.29
140      84.48  3.29
141      84.48  3.58
142      84.47  3.58
143      84.47  3.81
144      84.47  3.77
145      84.41  3.28
146      84.40  3.28
147      84.39  3.76
148      84.38  3.95
149      84.37  3.96
150      84.36  3.80
151      84.35  3.95
152      84.32  3.27
153      84.30  3.27
154      84.27  3.74
155      84.27  3.27
156      84.24  3.74
157      84.20  3.94
158      84.19  3.78
159      84.18  3.55
160      84.18  3.78
161      84.17  3.94
162      84.17  3.26
163      84.15  3.92
164      84.13  3.25
165      84.10  3.92
166      84.09  3.92
167      84.08  3.77
168      84.08  3.25
169      84.07  3.54
170      84.05  3.53
171      84.04  3.24
172      84.04  3.24
173      84.02  3.72
174      84.01  3.24
175      84.01  3.72
176      83.99  3.72
177      83.96  3.91
178      83.95  3.71
179      83.94  3.75
180      83.93  3.75
181      83.93  3.23
182      83.92  3.90
183      83.92  3.91
184      83.92  3.71
185      83.91  3.91
186      83.89  3.23
187      83.88  3.52
188      83.88  3.90
189      83.87  3.52
190      83.86  3.90
191      83.85  3.70
192      83.83  3.74
193      83.83  3.22
194      83.79  3.74
195      83.78  3.69
196      83.78  3.74
197      83.78  3.51
198      83.78  3.88
199      83.77  3.22
200      83.77  3.50
201      83.76  3.69
202      83.76  3.69
203      83.71  3.73
204      83.70  3.50
205      83.69  3.21
206      83.68  3.21
207      83.66  3.72
208      83.65  3.68
209      83.64  3.72
210      83.63  3.87
211      83.63  3.68
212      83.61  3.72
213      83.60  3.88
214      83.59  3.87
215      83.59  3.86
216      83.59  4.01
217      83.58  3.87
218      83.56  3.87
219      83.55  3.71
220      83.54  3.67
221      83.53  3.19
222      83.52  3.71
223      83.49  3.48
224      83.49  3.48
225      83.45  3.70
226      83.45  3.70
227      83.42  3.18
228      83.42  3.18
229      83.41  3.18
230      83.39  3.47
231      83.38  3.65
232      83.37  3.84
233      83.36  3.85
234      83.36  3.17
235      83.35  3.69
236      83.35  3.17
237      83.31  3.46
238      83.31  3.98
239      83.30  3.16
240      83.30  3.64
241      83.29  3.16
242      83.27  3.64
243      83.26  3.16
244      83.23  3.68
245      83.21  3.82
246      83.16  3.82
247      83.16  3.83
248      83.16  3.82
249      83.14  3.67
250      83.09  3.43
251      83.09  3.82
252      83.08  3.14
253      83.07  3.66
254      83.07  3.14
255      83.05  3.61
256      82.99  3.61
257      82.97  3.13
258      82.97  3.80
259      82.97  3.81
260      82.97  3.13
261      82.97  3.13
262      82.94  3.64
263      82.93  3.79
264      82.93  3.64
265      82.90  3.12
266      82.87  3.12
267      82.84  3.11
268      82.83  3.11
269      82.83  3.41
270      82.82  3.59
271      82.81  3.59
272      82.81  3.78
273      82.80  3.11
274      82.79  3.63
275      82.79  3.77
276      82.78  3.63
277      82.74  3.10
278      82.73  3.58
279      82.72  3.10
280      82.70  3.58
281      82.65  3.77
282      82.64  3.77
283      82.63  3.09
284      82.60  3.76
285      82.59  3.38
286      82.59  3.09
287      82.54  3.60
288      82.53  3.38
289      82.49  3.55
290      82.48  3.75
291      82.46  3.55
292      82.44  3.37
293      82.43  3.74
294      82.42  3.36
295      82.41  3.07
296      82.40  3.74
297      82.39  3.07
298      82.38  3.58
299      82.36  3.36
300      82.36  3.74
301      82.35  3.54
302      82.35  3.73
303      82.30  3.35
304      82.30  3.88
305      82.29  3.06
306      82.29  3.73
307      82.29  3.53
308      82.28  3.35
309      82.27  3.57
310      82.26  3.05
311      82.26  3.35
312      82.22  3.05
313      82.22  3.57
314      82.22  3.05
315      82.19  3.52
316      82.19  3.05
317      82.17  3.72
318      82.16  3.71
319      82.15  3.72
320      82.15  3.71
321      82.10  3.04
322      82.10  3.33
323      82.09  3.33
324      82.09  3.03
325      82.08  3.71
326      82.07  3.03
327      82.06  3.33
328      82.05  3.33
329      82.04  3.55
330      82.03  3.03
331      82.01  3.69
332      82.01  3.03
333      81.99  3.69
334      81.99  3.70
335      81.99  3.02
336      81.97  3.69
337      81.95  3.50
338      81.95  3.69
339      81.94  3.02
340      81.94  3.68
341      81.93  3.49
342      81.93  3.02
343      81.91  3.49
344      81.91  3.68
345      81.90  3.53
346      81.90  3.01
347      81.88  3.49
348      81.88  3.49
349      81.87  3.01
350      81.87  3.01
351      81.86  3.68
352      81.85  3.01
353      81.81  3.01
354      81.81  3.68
355      81.80  3.67
356      81.78  3.67
357      81.78  3.67
358      81.77  3.67
359      81.75  3.00
360      81.74  3.66
361      81.74  3.66
362      81.70  2.99
363      81.69  3.51
364      81.68  2.99
365      81.68  2.99
366      81.67  2.99
367      81.66  2.99
368      81.66  3.65
369      81.66  3.66
370      81.65  2.99
371      81.65  2.99
372      81.65  3.65
373      81.64  3.46
374      81.63  3.65
375      81.62  3.66
376      81.57  3.65
377      81.55  2.98
378      81.55  3.27
379      81.54  3.45
380      81.54  2.98
381      81.53  3.27
382      81.52  3.65
383      81.52  3.64
384      81.51  3.64
385      81.50  3.64
386      81.49  3.27
387      81.49  3.27
388      81.49  2.97
389      81.49  3.44
390      81.48  3.64
391      81.47  3.26
392      81.46  2.97
393      81.45  3.48
394      81.44  3.26
395      81.43  3.48
396      81.40  3.78
397      81.39  3.78
398      81.39  3.63
399      81.39  3.62
400      81.38  3.48
401      81.36  3.78
402      81.36  2.96
403      81.36  3.25
404      81.35  2.96
405      81.34  3.62
406      81.33  3.62
407      81.33  3.77
408      81.32  3.25
409      81.32  3.62
410      81.32  3.25
411      81.32  3.47
412      81.30  3.25
413      81.29  2.95
414      81.28  3.62
415      81.28  3.24
416      81.26  2.95
417      81.25  3.61
418      81.24  3.76
419      81.23  3.24
420      81.23  2.94
421      81.22  2.94
422      81.22  3.61
423      81.21  3.46
424      81.21  3.24
425      81.21  3.41
426      81.20  3.46
427      81.19  3.61
428      81.19  3.24
429      81.19  3.61
430      81.18  3.41
431      81.17  2.94
432      81.17  3.60
433      81.16  3.41
434      81.16  3.45
435      81.16  2.93
436      81.15  3.60
437      81.15  3.60
438      81.15  3.75
439      81.14  3.60
440      81.14  3.60
441      81.12  2.93
442      81.11  3.60
443      81.10  3.60
444      81.09  3.59
445      81.09  3.40
446      81.08  2.93
447      81.06  2.92
448      81.05  2.92
449      81.05  2.92
450      81.05  3.58
451      81.04  2.92
452      81.03  3.44
453      81.01  2.92
454      81.01  3.39
455      81.00  3.74
456      81.00  2.92
457      80.99  3.39
458      80.97  3.43
459      80.97  3.58
460      80.95  3.39
461      80.95  3.43
462      80.92  2.91
463      80.92  3.43
464      80.90  2.91
465      80.89  3.58
466      80.89  3.20
467      80.89  3.58
468      80.84  2.90
469      80.84  3.42
470      80.84  3.42
471      80.81  3.57
472      80.81  3.56
473      80.80  3.41
474      80.79  2.90
475      80.78  2.90
476      80.76  3.56
477      80.75  3.71
478      80.74  3.56
479      80.74  3.56
480      80.73  3.56
481      80.72  3.56
482      80.71  2.89
483      80.71  3.40
484      80.70  3.36
485      80.69  3.40
486      80.68  3.55
487      80.68  3.18
488      80.67  3.54
489      80.67  3.36
490      80.67  3.18
491      80.66  2.88
492      80.66  2.88
493      80.65  3.18
494      80.65  3.18
495      80.64  3.35
496      80.62  3.18
497      80.62  3.35
498      80.61  3.55
499      80.61  3.39
500      80.60  3.39
501      80.59  3.53
502      80.58  3.17
503      80.57  3.35
504      80.54  3.54
505      80.54  3.54
506      80.54  2.87
507      80.53  3.54
508      80.50  2.86
509      80.50  2.86
510      80.50  3.69
511      80.49  3.34
512      80.49  2.86
513      80.45  3.38
514      80.42  3.16
515      80.41  3.33
516      80.40  2.85
517      80.40  3.52
518      80.40  3.67
519      80.39  3.52
520      80.38  3.52
521      80.38  3.52
522      80.36  2.85
523      80.35  3.52
524      80.35  3.51
525      80.33  3.51
526      80.33  3.32
527      80.33  3.32
528      80.32  3.36
529      80.32  3.51
530      80.31  3.14
531      80.31  3.67
532      80.29  2.84
533      80.28  2.84
534      80.28  3.51
535      80.28  3.36
536      80.27  3.50
537      80.27  3.50
538      80.27  3.51
539      80.27  3.31
540      80.26  3.66
541      80.24  3.50
542      80.22  3.49
543      80.22  2.83
544      80.22  2.83
545      80.22  2.83
546      80.21  3.13
547      80.20  3.35
548      80.20  2.83
549      80.19  3.65
550      80.18  3.49
551      80.18  3.13
552      80.18  3.35
553      80.18  3.30
554      80.17  2.83
555      80.16  3.34
556      80.16  3.50
557      80.15  3.65
558      80.15  3.65
559      80.14  2.83
560      80.13  3.49
561      80.13  3.48
562      80.13  3.13
563      80.10  2.82
564      80.10  3.29
565      80.10  3.48
566      80.08  2.82
567      80.08  3.12
568      80.08  3.49
569      80.08  3.49
570      80.07  3.33
571      80.05  2.82
572      80.03  3.47
573      80.03  3.48
574      80.03  3.64
575      80.03  3.33
576      80.02  3.33
577      80.01  2.81
578      80.01  3.63
579      80.00  3.33
580      79.99  3.28
581      79.99  3.48
582      79.97  3.28
583      79.96  3.48
584      79.96  2.81
585      79.96  3.32
586      79.95  3.28
587      79.94  2.81
588      79.94  3.11
589      79.94  2.80
590      79.94  2.80
591      79.92  3.46
592      79.90  3.10
593      79.88  2.80
594      79.87  3.10
595      79.87  3.10
596      79.86  3.27
597      79.86  3.10
598      79.85  3.27
599      79.85  3.45
600      79.83  3.31
601      79.83  3.45
602      79.83  3.61
603      79.82  2.79
604      79.81  2.79
605      79.80  2.79
606      79.78  3.09
607      79.78  2.79
608      79.77  3.45
609      79.77  3.26
610      79.75  2.78
611      79.75  2.78
612      79.75  3.09
613      79.74  3.61
614      79.74  3.08
615      79.73  3.30
616      79.71  3.60
617      79.70  3.25
618      79.70  3.44
619      79.70  3.44
620      79.68  3.29
621      79.68  3.44
622      79.67  3.44
623      79.67  3.25
624      79.66  3.29
625      79.66  3.44
626      79.66  3.43
627      79.65  3.60
628      79.65  3.43
629      79.65  3.44
630      79.65  3.07
631      79.64  3.29
632      79.63  3.44
633      79.63  2.77
634      79.63  3.59
635      79.63  3.07
636      79.59  3.59
637      79.57  2.76
638      79.56  2.76
639      79.56  2.76
640      79.56  3.42
641      79.55  3.07
642      79.52  3.58
643      79.50  3.27
644      79.50  2.76
645      79.50  3.06
646      79.49  3.06
647      79.49  3.42
648      79.49  3.41
649      79.47  3.06
650      79.47  3.06
651      79.47  3.42
652      79.46  3.06
653      79.45  3.42
654      79.45  3.05
655      79.43  3.42
656      79.42  3.22
657      79.42  2.75
658      79.42  3.22
659      79.42  2.75
660      79.42  3.42
661      79.41  2.75
662      79.41  3.26
663      79.41  2.75
664      79.40  2.75
665      79.39  3.05
666      79.38  3.22
667      79.35  3.21
668      79.34  2.74
669      79.32  2.74
670      79.31  3.25
671      79.31  3.04
672      79.31  2.74
673      79.30  3.04
674      79.30  3.04
675      79.28  3.04
676      79.26  3.25
677      79.26  2.73
678      79.25  3.20
679      79.25  3.39
680      79.24  3.55
681      79.23  3.40
682      79.22  3.03
683      79.22  3.38
684      79.21  3.39
685      79.20  3.03
686      79.20  3.20
687      79.20  2.73
688      79.20  3.20
689      79.19  3.24
690      79.19  3.20
691      79.18  3.55
692      79.17  2.72
693      79.16  3.02
694      79.15  3.19
695      79.15  3.02
696      79.15  3.38
697      79.14  3.02
698      79.13  2.72
699      79.12  3.02
700      79.12  3.38
701      79.12  3.38
702      79.11  3.02
703      79.11  2.72
704      79.10  3.23
705      79.10  2.71
706      79.10  3.54
707      79.10  2.71
708      79.07  3.37
709      79.06  3.01
710      79.06  3.38
711      79.06  3.18
712      79.05  3.37
713      79.05  3.53
714      79.04  3.36
715      79.04  2.71
716      79.04  3.37
717      79.03  3.37
718      79.02  3.18
719      79.01  3.18
720      78.99  3.01
721      78.99  2.70
722      78.99  3.01
723      78.99  3.53
724      78.98  3.37
725      78.97  3.37
726      78.96  3.17
727      78.96  2.70
728      78.95  2.70
729      78.95  3.00
730      78.95  3.00
731      78.94  3.17
732      78.94  3.00
733      78.93  2.70
734      78.92  3.35
735      78.91  3.36
736      78.91  3.00
737      78.91  3.17
738      78.91  2.69
739      78.90  3.00
740      78.89  3.35
741      78.88  3.21
742      78.88  3.35
743      78.87  3.35
744      78.87  3.20
745      78.85  2.99
746      78.85  2.69
747      78.85  3.16
748      78.84  2.99
749      78.84  3.20
750      78.84  3.20
751      78.83  2.99
752      78.82  2.69
753      78.82  3.16
754      78.82  2.68
755      78.81  3.16
756      78.79  3.34
757      78.79  3.34
758      78.79  2.68
759      78.78  3.35
760      78.78  2.98
761      78.77  3.33
762      78.76  2.68
763      78.76  3.19
764      78.75  3.50
765      78.74  3.19
766      78.74  3.50
767      78.74  3.19
768      78.72  2.98
769      78.71  2.67
770      78.69  3.49
771      78.68  3.49
772      78.67  3.14
773      78.67  2.67
774      78.66  3.49
775      78.66  2.67
776      78.66  2.97
777      78.66  3.33
778      78.65  2.67
779      78.65  3.14
780      78.65  3.33
781      78.64  3.49
782      78.64  3.18
783      78.63  2.66
784      78.62  3.14
785      78.62  2.66
786      78.62  3.32
787      78.61  3.32
788      78.58  3.13
789      78.57  2.66
790      78.57  3.31
791      78.57  3.13
792      78.57  3.31
793      78.57  3.13
794      78.56  3.17
795      78.55  3.48
796      78.54  3.17
797      78.54  3.31
798      78.54  2.96
799      78.53  3.31
800      78.53  2.65
801      78.52  3.32
802      78.52  3.12
803      78.51  2.65
804      78.51  3.31
805      78.50  2.96
806      78.50  2.65
807      78.50  3.31
808      78.50  2.65
809      78.49  2.95
810      78.49  2.95
811      78.48  3.16
812      78.48  3.31
813      78.48  2.65
814      78.48  3.31
815      78.47  2.65
816      78.47  3.31
817      78.47  3.12
818      78.45  3.47
819      78.45  3.12
820      78.44  3.47
821      78.44  2.95
822      78.44  3.16
823      78.43  2.64
824      78.42  2.64
825      78.42  2.95
826      78.41  2.64
827      78.40  2.64
828      78.39  3.11
829      78.37  2.64
830      78.37  3.15
831      78.36  2.94
832      78.36  3.30
833      78.36  2.94
834      78.35  2.63
835      78.35  3.30
836      78.35  2.63
837      78.34  2.63
838      78.34  3.29
839      78.33  3.29
840      78.32  2.63
841      78.32  3.15
842      78.32  3.10
843      78.32  3.29
844      78.32  3.29
845      78.32  3.14
846      78.31  2.94
847      78.31  3.30
848      78.30  2.63
849      78.29  2.63
850      78.29  3.10
851      78.27  3.10
852      78.27  2.63
853      78.27  3.29
854      78.26  3.10
855      78.26  3.10
856      78.24  3.09
857      78.24  3.28
858      78.23  2.93
859      78.23  3.28
860      78.23  3.28
861      78.23  3.09
862      78.23  3.09
863      78.23  3.29
864      78.23  3.28
865      78.22  2.62
866      78.22  2.62
867      78.21  3.09
868      78.21  2.92
869      78.20  3.09
870      78.19  2.92
871      78.19  2.62
872      78.18  3.27
873      78.18  2.62
874      78.18  3.13
875      78.17  2.92
876      78.17  3.28
877      78.17  3.09
878      78.16  2.61
879      78.15  2.61
880      78.15  3.13
881      78.15  3.28
882      78.14  3.13
883      78.14  2.92
884      78.14  2.92
885      78.13  2.61
886      78.13  3.26
887      78.12  3.26
888      78.11  3.08
889      78.11  2.91
890      78.11  3.08
891      78.10  2.61
892      78.10  2.91
893      78.08  2.91
894      78.07  3.27
895      78.07  3.12
896      78.07  2.60
897      78.07  3.07
898      78.06  3.07
899      78.05  3.26
900      78.04  3.07
901      78.03  3.42
902      78.02  3.11
903      78.00  3.07
904      78.00  3.26
905      77.99  2.90
906      77.99  2.90
907      77.99  2.60
908      77.97  3.25
909      77.97  2.59
910      77.96  3.11
911      77.95  3.42
912      77.94  3.06
913      77.94  3.24
914      77.94  2.59
915      77.93  3.24
916      77.93  3.25
917      77.92  3.25
918      77.91  3.25
919      77.91  2.89
920      77.91  3.06
921      77.90  3.10
922      77.89  3.41
923      77.89  3.24
924      77.89  3.25
925      77.88  3.24
926      77.88  2.89
927      77.86  2.58
928      77.85  3.05
929      77.85  2.89
930      77.84  3.05
931      77.83  3.05
932      77.82  3.23
933      77.82  2.88
934      77.82  3.24
935      77.81  3.05
936      77.80  2.58
937      77.78  2.57
938      77.77  3.04
939      77.77  3.23
940      77.76  3.24
941      77.76  3.23
942      77.75  3.08
943      77.75  3.39
944      77.74  3.22
945      77.74  3.23
946      77.73  3.08
947      77.73  3.08
948      77.73  3.23
949      77.73  3.22
950      77.72  3.08
951      77.71  3.39
952      77.70  3.22
953      77.70  3.04
954      77.70  3.04
955      77.68  3.39
956      77.68  2.56
957      77.68  3.22
958      77.68  3.03
959      77.67  2.87
960      77.67  3.07
961      77.67  2.56
962      77.66  3.22
963      77.65  2.87
964      77.63  3.22
965      77.63  3.21
966      77.62  2.56
967      77.61  2.56
968      77.61  2.56
969      77.61  2.86
970      77.60  2.86
971      77.58  3.02
972      77.57  3.21
973      77.56  3.06
974      77.56  3.20
975      77.55  2.55
976      77.53  2.85
977      77.52  3.06
978      77.52  2.85
979      77.52  3.02
980      77.52  3.06
981      77.52  3.37
982      77.52  3.20
983      77.52  2.55
984      77.50  3.21
985      77.49  2.54
986      77.49  3.06
987      77.49  3.06
988      77.48  3.21
989      77.48  3.21
990      77.48  3.19
991      77.46  2.85
992      77.46  3.20
993      77.45  2.85
994      77.45  3.19
995      77.45  3.01
996      77.45  3.05
997      77.45  2.54
998      77.45  2.54
999      77.44  3.01
1000      77.43  3.19
1001      77.43  3.19
1002      77.43  3.19
1003      77.42  3.00
1004      77.42  2.53
1005      77.41  2.84
1006      77.41  2.53
1007      77.40  3.36
1008      77.37  3.00
1009      77.36  3.19
1010      77.36  3.18
1011      77.35  3.04
1012      77.35  3.19
1013      77.35  3.00
1014      77.35  2.83
1015      77.34  3.04
1016      77.33  3.19
1017      77.33  3.18
1018      77.32  3.35
1019      77.32  2.83
1020      77.32  2.83
1021      77.31  3.04
1022      77.31  2.52
1023      77.31  3.19
1024      77.30  3.17
1025      77.30  3.03
1026      77.29  2.99
1027      77.28  2.52
1028      77.27  2.83
1029      77.26  2.52
1030      77.26  3.03
1031      77.26  3.03
1032      77.26  3.18
1033      77.26  3.34
1034      77.25  2.83
1035      77.25  3.18
1036      77.24  2.52
1037      77.24  3.17
1038      77.24  3.18
1039      77.23  3.17
1040      77.22  2.82
1041      77.20  2.51
1042      77.20  3.18
1043      77.19  2.82
1044      77.18  3.33
1045      77.18  2.98
1046      77.17  3.17
1047      77.17  3.16
1048      77.16  2.98
1049      77.16  3.02
1050      77.16  3.02
1051      77.16  3.16
1052      77.15  3.17
1053      77.14  2.81
1054      77.14  3.16
1055      77.13  3.02
1056      77.13  3.33
1057      77.12  2.81
1058      77.12  3.15
1059      77.11  3.15
1060      77.11  3.17
1061      77.11  3.17
1062      77.11  3.01
1063      77.10  3.15
1064      77.09  2.81
1065      77.09  3.16
1066      77.09  3.15
1067      77.07  2.97
1068      77.06  3.15
1069      77.06  3.15
1070      77.06  3.15
1071      77.05  2.97
1072      77.05  3.01
1073      77.05  2.96
1074      77.04  2.49
1075      77.04  2.49
1076      77.02  3.16
1077      77.01  3.14
1078      77.01  2.80
1079      77.00  2.49
1080      77.00  3.15
1081      77.00  3.00
1082      76.99  3.31
1083      76.98  3.14
1084      76.98  2.80
1085      76.97  3.31
1086      76.97  2.49
1087      76.96  3.14
1088      76.96  3.00
1089      76.94  2.79
1090      76.94  3.31
1091      76.92  2.48
1092      76.91  2.48
1093      76.91  3.13
1094      76.91  2.79
1095      76.90  3.13
1096      76.90  2.48
1097      76.90  3.13
1098      76.89  3.13
1099      76.89  2.95
1100      76.89  2.95
1101      76.88  2.99
1102      76.88  3.13
1103      76.87  3.13
1104      76.87  2.48
1105      76.86  2.48
1106      76.85  2.94
1107      76.84  3.13
1108      76.84  2.78
1109      76.84  3.12
1110      76.82  2.94
1111      76.82  2.98
1112      76.82  3.13
1113      76.82  3.12
1114      76.81  2.47
1115      76.81  2.78
1116      76.80  2.98
1117      76.80  2.47
1118      76.80  3.12
1119      76.79  3.13
1120      76.79  2.78
1121      76.79  3.13
1122      76.78  2.47
1123      76.78  2.78
1124      76.77  2.93
1125      76.77  3.12
1126      76.77  2.77
1127      76.76  2.46
1128      76.75  2.46
1129      76.75  3.13
1130      76.74  2.93
1131      76.72  3.12
1132      76.72  3.11
1133      76.72  2.77
1134      76.71  3.11
1135      76.71  3.11
1136      76.71  2.77
1137      76.71  2.93
1138      76.69  3.11
1139      76.69  2.93
1140      76.69  2.77
1141      76.69  2.93
1142      76.69  3.11
1143      76.68  2.77
1144      76.68  3.11
1145      76.66  3.11
1146      76.66  3.11
1147      76.64  3.28
1148      76.64  2.92
1149      76.62  3.10
1150      76.61  3.10
1151      76.61  3.10
1152      76.61  3.11
1153      76.61  2.92
1154      76.60  2.92
1155      76.60  3.10
1156      76.59  2.92
1157      76.56  3.10
1158      76.54  2.91
1159      76.54  2.91
1160      76.54  3.27
1161      76.53  3.09
1162      76.53  2.95
1163      76.53  2.75
1164      76.53  3.09
1165      76.53  2.75
1166      76.53  2.91
1167      76.52  3.26
1168      76.51  2.91
1169      76.51  3.10
1170      76.51  3.09
1171      76.51  3.09
1172      76.51  3.26
1173      76.50  2.95
1174      76.50  3.09
1175      76.50  3.10
1176      76.50  2.95
1177      76.49  3.26
1178      76.49  2.95
1179      76.48  2.95
1180      76.47  2.95
1181      76.45  2.94
1182      76.42  2.74
1183      76.42  3.25
1184      76.42  2.94
1185      76.42  3.08
1186      76.42  3.08
1187      76.41  3.09
1188      76.41  3.08
1189      76.41  2.94
1190      76.41  2.94
1191      76.39  2.89
1192      76.39  2.94
1193      76.38  3.07
1194      76.38  3.09
1195      76.38  3.08
1196      76.37  3.09
1197      76.36  3.07
1198      76.36  3.07
1199      76.35  3.08
1200      76.35  3.07
1201      76.35  2.89
1202      76.34  2.73
1203      76.34  2.73
1204      76.33  2.89
1205      76.32  3.24
1206      76.32  2.93
1207      76.32  3.07
1208      76.32  3.07
1209      76.31  2.93
1210      76.31  2.73
1211      76.31  3.07
1212      76.30  2.93
1213      76.29  2.72
1214      76.29  2.93
1215      76.29  2.88
1216      76.26  3.24
1217      76.26  2.88
1218      76.26  2.72
1219      76.24  3.06
1220      76.24  3.06
1221      76.23  3.06
1222      76.23  3.06
1223      76.21  3.06
1224      76.21  3.06
1225      76.21  2.87
1226      76.20  3.05
1227      76.18  3.05
1228      76.17  2.71
1229      76.17  2.87
1230      76.17  3.05
1231      76.16  2.71
1232      76.16  3.05
1233      76.16  3.05
1234      76.16  2.87
1235      76.15  2.71
1236      76.14  2.87
1237      76.14  2.71
1238      76.13  3.05
1239      76.11  3.04
1240      76.11  2.71
1241      76.11  2.91
1242      76.11  2.86
1243      76.10  2.91
1244      76.10  2.70
1245      76.10  3.22
1246      76.09  3.22
1247      76.09  2.90
1248      76.08  3.05
1249      76.08  3.04
1250      76.08  2.90
1251      76.07  3.04
1252      76.06  2.70
1253      76.06  3.05
1254      76.05  2.70
1255      76.05  3.05
1256      76.04  2.86
1257      76.04  2.90
1258      76.02  3.04
1259      76.02  3.05
1260      76.01  3.05
1261      76.01  2.90
1262      76.01  3.04
1263      76.00  3.04
1264      75.99  3.03
1265      75.99  2.89
1266      75.99  2.69
1267      75.99  2.89
1268      75.98  3.03
1269      75.97  2.89
1270      75.96  3.20
1271      75.96  2.89
1272      75.95  2.89
1273      75.95  3.03
1274      75.95  3.04
1275      75.95  2.85
1276      75.94  2.85
1277      75.94  3.04
1278      75.93  2.69
1279      75.92  3.03
1280      75.91  3.02
1281      75.91  2.89
1282      75.90  2.68
1283      75.90  2.88
1284      75.89  2.68
1285      75.89  3.02
1286      75.88  2.84
1287      75.87  2.68
1288      75.86  2.68
1289      75.86  2.84
1290      75.86  3.02
1291      75.85  2.84
1292      75.85  2.88
1293      75.85  3.02
1294      75.84  3.02
1295      75.84  3.03
1296      75.84  2.68
1297      75.83  2.88
1298      75.83  2.88
1299      75.82  2.68
1300      75.82  3.03
1301      75.81  2.87
1302      75.80  2.67
1303      75.80  2.67
1304      75.80  3.01
1305      75.80  3.02
1306      75.79  2.87
1307      75.78  3.01
1308      75.78  2.67
1309      75.78  3.18
1310      75.77  2.67
1311      75.76  2.67
1312      75.76  2.83
1313      75.76  2.67
1314      75.75  3.02
1315      75.74  3.18
1316      75.73  3.00
1317      75.72  3.00
1318      75.71  2.82
1319      75.70  3.00
1320      75.70  3.18
1321      75.69  3.01
1322      75.69  2.86
1323      75.69  3.01
1324      75.68  2.86
1325      75.66  2.81
1326      75.65  2.81
1327      75.64  3.01
1328      75.64  2.81
1329      75.63  3.17
1330      75.63  2.99
1331      75.63  2.85
1332      75.62  2.99
1333      75.61  3.17
1334      75.61  3.00
1335      75.61  2.99
1336      75.61  3.00
1337      75.60  2.65
1338      75.59  3.00
1339      75.58  2.99
1340      75.58  2.99
1341      75.57  2.98
1342      75.56  2.65
1343      75.56  2.65
1344      75.55  3.00
1345      75.53  2.65
1346      75.53  2.98
1347      75.53  2.80
1348      75.52  2.80
1349      75.52  2.84
1350      75.52  2.84
1351      75.51  2.98
1352      75.50  2.80
1353      75.50  2.98
1354      75.49  2.64
1355      75.49  2.98
1356      75.48  2.64
1357      75.48  2.80
1358      75.48  2.98
1359      75.48  2.98
1360      75.48  3.15
1361      75.47  2.99
1362      75.46  2.64
1363      75.45  2.97
1364      75.45  2.79
1365      75.45  2.97
1366      75.44  2.97
1367      75.44  2.97
1368      75.44  2.79
1369      75.44  2.97
1370      75.44  2.97
1371      75.44  2.64
1372      75.43  2.98
1373      75.43  2.63
1374      75.42  2.97
1375      75.42  2.63
1376      75.41  2.79
1377      75.41  2.63
1378      75.41  2.97
1379      75.41  2.98
1380      75.40  2.98
1381      75.39  2.83
1382      75.39  2.98
1383      75.39  2.97
1384      75.39  2.98
1385      75.39  2.98
1386      75.38  2.96
1387      75.38  2.96
1388      75.38  2.97
1389      75.38  3.14
1390      75.38  2.83
1391      75.38  2.83
1392      75.37  2.83
1393      75.37  2.83
1394      75.37  2.96
1395      75.37  3.14
1396      75.36  2.63
1397      75.36  2.63
1398      75.36  2.96
1399      75.35  2.78
1400      75.34  2.78
1401      75.34  2.96
1402      75.33  2.96
1403      75.33  2.78
1404      75.33  2.62
1405      75.33  2.82
1406      75.32  2.96
1407      75.31  2.62
1408      75.30  2.82
1409      75.30  2.82
1410      75.30  2.97
1411      75.30  3.13
1412      75.30  2.97
1413      75.29  2.62
1414      75.29  2.96
1415      75.29  2.77
1416      75.28  2.96
1417      75.28  2.82
1418      75.27  3.13
1419      75.27  2.95
1420      75.27  2.77
1421      75.27  2.77
1422      75.26  2.81
1423      75.26  2.81
1424      75.26  2.95
1425      75.26  2.62
1426      75.25  2.62
1427      75.25  2.96
1428      75.24  2.81
1429      75.24  2.95
1430      75.24  2.96
1431      75.23  2.95
1432      75.23  2.81
1433      75.23  2.95
1434      75.23  2.77
1435      75.22  2.95
1436      75.21  2.61
1437      75.21  2.95
1438      75.21  2.95
1439      75.21  2.96
1440      75.21  2.77
1441      75.21  2.96
1442      75.20  2.77
1443      75.20  2.95
1444      75.19  2.61
1445      75.19  2.96
1446      75.19  2.81
1447      75.19  2.94
1448      75.18  2.81
1449      75.18  3.12
1450      75.16  3.12
1451      75.16  2.94
1452      75.15  2.94
1453      75.14  2.60
1454      75.14  2.76
1455      75.14  3.12
1456      75.14  3.12
1457      75.13  2.95
1458      75.12  2.76
1459      75.12  2.80
1460      75.12  2.60
1461      75.12  2.60
1462      75.11  2.93
1463      75.11  2.94
1464      75.10  3.11
1465      75.10  2.60
1466      75.10  2.95
1467      75.09  2.60
1468      75.08  2.60
1469      75.08  2.93
1470      75.07  2.75
1471      75.07  2.94
1472      75.07  3.11
1473      75.07  2.93
1474      75.05  2.93
1475      75.05  2.60
1476      75.04  2.93
1477      75.03  2.75
1478      75.01  2.94
1479      75.01  2.79
1480      75.01  2.74
1481      75.01  2.92
1482      75.00  2.94
1483      75.00  3.10
1484      75.00  2.79
1485      75.00  2.59
1486      75.00  2.59
1487      75.00  2.74
1488      74.99  2.92
1489      74.98  2.74
1490      74.97  2.92
1491      74.97  2.93
1492      74.97  2.92
1493      74.96  2.74
1494      74.96  2.74
1495      74.96  2.92
1496      74.96  2.78
1497      74.96  2.74
1498      74.95  3.10
1499      74.95  2.93
1500      74.94  2.58
1501      74.93  2.58
1502      74.93  2.93
1503      74.93  2.91
1504      74.93  2.93
1505      74.93  2.58
1506      74.91  2.93
1507      74.91  2.91
1508      74.90  2.73
1509      74.90  2.73
1510      74.89  3.09
1511      74.89  2.91
1512      74.89  2.92
1513      74.89  2.91
1514      74.88  2.73
1515      74.88  2.73
1516      74.87  2.77
1517      74.85  2.77
1518      74.85  2.91
1519      74.84  2.91
1520      74.84  2.57
1521      74.83  2.90
1522      74.83  2.77
1523      74.83  3.08
1524      74.82  2.72
1525      74.82  3.08
1526      74.82  2.57
1527      74.81  2.92
1528      74.81  2.72
1529      74.80  2.76
1530      74.79  2.72
1531      74.78  3.08
1532      74.78  2.90
1533      74.78  3.08
1534      74.78  2.90
1535      74.77  3.08
1536      74.77  2.76
1537      74.77  2.72
1538      74.76  2.76
1539      74.76  3.08
1540      74.76  3.08
1541      74.76  2.76
1542      74.75  2.91
1543      74.74  3.07
1544      74.74  2.72
1545      74.74  2.91
1546      74.73  2.91
1547      74.72  2.76
1548      74.71  2.56
1549      74.70  2.71
1550      74.70  2.71
1551      74.69  2.56
1552      74.69  2.56
1553      74.68  2.89
1554      74.68  2.71
1555      74.68  2.89
1556      74.68  2.56
1557      74.67  2.90
1558      74.66  2.71
1559      74.66  2.75
1560      74.66  2.75
1561      74.65  2.55
1562      74.65  2.55
1563      74.64  2.55
1564      74.64  2.55
1565      74.64  3.06
1566      74.64  3.06
1567      74.63  2.88
1568      74.63  3.06
1569      74.62  2.70
1570      74.62  2.75
1571      74.62  2.70
1572      74.61  2.74
1573      74.61  2.89
1574      74.61  2.70
1575      74.61  2.88
1576      74.60  3.06
1577      74.59  2.74
1578      74.59  3.06
1579      74.59  2.88
1580      74.58  2.88
1581      74.56  3.06
1582      74.55  2.54
1583      74.55  2.87
1584      74.55  2.89
1585      74.54  2.69
1586      74.53  3.05
1587      74.53  2.69
1588      74.53  2.87
1589      74.52  2.88
1590      74.51  2.54
1591      74.51  2.88
1592      74.50  2.69
1593      74.50  2.87
1594      74.49  2.54
1595      74.49  2.88
1596      74.48  2.54
1597      74.47  2.69
1598      74.45  2.53
1599      74.45  2.86
1600      74.44  2.86
1601      74.44  2.86
1602      74.44  2.88
1603      74.43  2.73
1604      74.43  2.86
1605      74.43  3.04
1606      74.42  2.86
1607      74.42  2.68
1608      74.41  2.87
1609      74.41  2.68
1610      74.41  2.53
1611      74.40  2.87
1612      74.39  2.86
1613      74.38  2.72
1614      74.38  2.53
1615      74.38  3.04
1616      74.37  3.03
1617      74.36  2.87
1618      74.36  2.87
1619      74.35  2.72
1620      74.34  2.67
1621      74.32  2.71
1622      74.31  2.71
1623      74.31  2.85
1624      74.30  3.03
1625      74.29  3.03
1626      74.28  2.71
1627      74.28  3.02
1628      74.27  2.66
1629      74.27  2.84
1630      74.26  3.02
1631      74.26  2.51
1632      74.25  2.84
1633      74.25  2.84
1634      74.24  2.84
1635      74.23  2.84
1636      74.23  2.70
1637      74.22  2.51
1638      74.22  2.51
1639      74.22  2.51
1640      74.21  2.66
1641      74.20  2.66
1642      74.20  2.83
1643      74.20  2.66
1644      74.19  2.66
1645      74.19  2.85
1646      74.19  2.83
1647      74.17  3.01
1648      74.17  2.85
1649      74.17  2.50
1650      74.17  2.65
1651      74.16  2.85
1652      74.16  2.83
1653      74.15  2.83
1654      74.14  2.83
1655      74.14  2.84
1656      74.14  2.83
1657      74.13  2.83
1658      74.13  2.83
1659      74.13  2.83
1660      74.12  3.01
1661      74.12  2.83
1662      74.12  2.65
1663      74.11  2.84
1664      74.10  2.50
1665      74.10  3.01
1666      74.10  2.69
1667      74.10  2.82
1668      74.10  2.65
1669      74.09  2.65
1670      74.09  2.65
1671      74.09  2.82
1672      74.08  2.69
1673      74.08  2.49
1674      74.08  2.82
1675      74.07  2.64
1676      74.07  2.69
1677      74.06  2.82
1678      74.06  2.82
1679      74.06  2.49
1680      74.06  2.49
1681      74.06  3.00
1682      74.04  2.82
1683      74.04  3.00
1684      74.04  2.83
1685      74.03  3.00
1686      74.01  2.49
1687      74.01  2.81
1688      74.00  2.81
1689      73.99  2.63
1690      73.99  2.63
1691      73.98  2.63
1692      73.96  2.82
1693      73.96  2.81
1694      73.95  2.81
1695      73.93  2.81
1696      73.93  2.48
1697      73.92  2.99
1698      73.92  2.48
1699      73.91  2.80
1700      73.90  2.80
1701      73.90  2.80
1702      73.90  2.80
1703      73.90  2.62
1704      73.89  2.80
1705      73.89  2.80
1706      73.89  2.80
1707      73.89  2.82
1708      73.88  2.67
1709      73.87  2.81
1710      73.87  2.62
1711      73.86  2.80
1712      73.86  2.62
1713      73.86  2.62
1714      73.86  2.66
1715      73.85  2.98
1716      73.83  2.66
1717      73.83  2.47
1718      73.82  2.79
1719      73.82  2.79
1720      73.82  2.62
1721      73.81  2.47
1722      73.80  2.66
1723      73.80  2.79
1724      73.80  2.46
1725      73.80  2.66
1726      73.79  2.46
1727      73.78  2.61
1728      73.78  2.79
1729      73.77  2.97
1730      73.77  2.79
1731      73.77  2.61
1732      73.77  2.79
1733      73.76  2.61
1734      73.76  2.79
1735      73.75  2.80
1736      73.74  2.65
1737      73.74  2.78
1738      73.74  2.61
1739      73.74  2.78
1740      73.74  2.97
1741      73.73  2.46
1742      73.73  2.80
1743      73.72  2.46
1744      73.72  2.46
1745      73.72  2.97
1746      73.72  2.60
1747      73.71  2.78
1748      73.71  2.65
1749      73.71  2.80
1750      73.70  2.80
1751      73.70  2.96
1752      73.70  2.45
1753      73.70  2.60
1754      73.70  2.78
1755      73.69  2.78
1756      73.69  2.79
1757      73.68  2.78
1758      73.68  2.96
1759      73.67  2.79
1760      73.67  2.64
1761      73.66  2.79
1762      73.66  2.78
1763      73.66  2.79
1764      73.66  2.79
1765      73.66  2.64
1766      73.65  2.96
1767      73.65  2.79
1768      73.65  2.45
1769      73.64  2.77
1770      73.63  2.96
1771      73.63  2.77
1772      73.63  2.64
1773      73.63  2.77
1774      73.63  2.96
1775      73.61  2.95
1776      73.61  2.59
1777      73.61  2.77
1778      73.60  2.77
1779      73.60  2.44
1780      73.59  2.63
1781      73.58  2.77
1782      73.58  2.63
1783      73.58  2.77
1784      73.57  2.95
1785      73.57  2.63
1786      73.57  2.95
1787      73.56  2.78
1788      73.56  2.76
1789      73.56  2.76
1790      73.56  2.44
1791      73.56  2.95
1792      73.55  2.95
1793      73.55  2.78
1794      73.54  2.78
1795      73.54  2.76
1796      73.53  2.44
1797      73.53  2.58
1798      73.52  2.58
1799      73.52  2.58
1800      73.52  2.58
1801      73.52  2.78
1802      73.51  2.63
1803      73.51  2.63
1804      73.51  2.63
1805      73.50  2.62
1806      73.49  2.77
1807      73.46  2.62
1808      73.45  2.75
1809      73.45  2.75
1810      73.45  2.77
1811      73.43  2.77
1812      73.43  2.43
1813      73.43  2.57
1814      73.43  2.93
1815      73.43  2.43
1816      73.43  2.43
1817      73.41  2.93
1818      73.40  2.42
1819      73.39  2.75
1820      73.39  2.57
1821      73.38  2.57
1822      73.38  2.93
1823      73.36  2.74
1824      73.36  2.93
1825      73.35  2.74
1826      73.35  2.57
1827      73.34  2.56
1828      73.33  2.76
1829      73.33  2.74
1830      73.32  2.75
1831      73.32  2.74
1832      73.32  2.74
1833      73.32  2.74
1834      73.31  2.56
1835      73.31  2.56
1836      73.30  2.56
1837      73.30  2.56
1838      73.29  2.74
1839      73.29  2.75
1840      73.28  2.73
1841      73.27  2.60
1842      73.27  2.73
1843      73.27  2.73
1844      73.24  2.55
1845      73.24  2.74
1846      73.23  2.91
1847      73.23  2.73
1848      73.22  2.59
1849      73.22  2.55
1850      73.22  2.40
1851      73.22  2.55
1852      73.22  2.74
1853      73.21  2.40
1854      73.21  2.55
1855      73.20  2.72
1856      73.20  2.74
1857      73.18  2.91
1858      73.18  2.72
1859      73.18  2.59
1860      73.17  2.74
1861      73.17  2.72
1862      73.17  2.72
1863      73.16  2.72
1864      73.16  2.72
1865      73.15  2.74
1866      73.15  2.59
1867      73.14  2.72
1868      73.14  2.72
1869      73.13  2.72
1870      73.12  2.58
1871      73.11  2.58
1872      73.11  2.54
1873      73.11  2.58
1874      73.11  2.71
1875      73.10  2.58
1876      73.09  2.54
1877      73.09  2.71
1878      73.08  2.73
1879      73.08  2.71
1880      73.07  2.90
1881      73.05  2.73
1882      73.05  2.71
1883      73.05  2.72
1884      73.02  2.71
1885      73.02  2.57
1886      73.02  2.89
1887      73.00  2.89
1888      72.99  2.70
1889      72.99  2.89
1890      72.99  2.70
1891      72.98  2.57
1892      72.98  2.52
1893      72.97  2.57
1894      72.94  2.56
1895      72.92  2.69
1896      72.91  2.69
1897      72.91  2.69
1898      72.91  2.88
1899      72.90  2.52
1900      72.90  2.71
1901      72.89  2.52
1902      72.88  2.56
1903      72.88  2.88
1904      72.88  2.69
1905      72.88  2.51
1906      72.87  2.56
1907      72.87  2.56
1908      72.86  2.56
1909      72.85  2.51
1910      72.85  2.55
1911      72.84  2.69
1912      72.84  2.51
1913      72.84  2.68
1914      72.83  2.68
1915      72.82  2.68
1916      72.82  2.68
1917      72.82  2.68
1918      72.82  2.68
1919      72.82  2.68
1920      72.82  2.70
1921      72.80  2.87
1922      72.80  2.68
1923      72.79  2.50
1924      72.79  2.68
1925      72.78  2.68
1926      72.78  2.68
1927      72.78  2.87
1928      72.77  2.68
1929      72.76  2.68
1930      72.76  2.69
1931      72.76  2.69
1932      72.74  2.86
1933      72.73  2.69
1934      72.72  2.67
1935      72.71  2.86
1936      72.71  2.69
1937      72.70  2.69
1938      72.69  2.67
1939      72.69  2.67
1940      72.68  2.67
1941      72.68  2.67
1942      72.66  2.67
1943      72.64  2.68
1944      72.63  2.66
1945      72.63  2.66
1946      72.63  2.66
1947      72.62  2.68
1948      72.58  2.66
1949      72.58  2.67
1950      72.58  2.66
1951      72.57  2.67
1952      72.56  2.67
1953      72.55  2.67
1954      72.54  2.67
1955      72.53  2.65
1956      72.53  2.67
1957      72.53  2.65
1958      72.51  2.65
1959      72.51  2.67
1960      72.51  2.84
1961      72.50  2.84
1962      72.50  2.65
1963      72.49  2.65
1964      72.49  2.65
1965      72.49  2.65
1966      72.49  2.83
1967      72.46  2.64
1968      72.46  2.64
1969      72.45  2.66
1970      72.44  2.66
1971      72.44  2.64
1972      72.42  2.66
1973      72.40  2.65
1974      72.40  2.65
1975      72.39  2.64
1976      72.38  2.82
1977      72.37  2.82
1978      72.37  2.63
1979      72.36  2.82
1980      72.36  2.63
1981      72.35  2.82
1982      72.35  2.82
1983      72.34  2.63
1984      72.33  2.82
1985      72.33  2.63
1986      72.33  2.63
1987      72.32  2.63
1988      72.32  2.64
1989      72.31  2.64
1990      72.31  2.63
1991      72.31  2.64
1992      72.31  2.63
1993      72.30  2.64
1994      72.30  2.63
1995      72.29  2.62
1996      72.29  2.81
1997      72.27  2.64
1998      72.26  2.81
1999      72.26  2.62
2000      72.25  2.62
2001      72.25  2.62
2002      72.24  2.62
2003      72.24  2.81
2004      72.24  2.62
2005      72.24  2.81
2006      72.23  2.64
2007      72.23  2.62
2008      72.22  2.62
2009      72.22  2.81
2010      72.20  2.62
2011      72.20  2.80
2012      72.20  2.62
2013      72.20  2.63
2014      72.18  2.61
2015      72.17  2.61
2016      72.17  2.63
2017      72.16  2.61
2018      72.16  2.61
2019      72.16  2.80
2020      72.15  2.61
2021      72.15  2.61
2022      72.14  2.61
2023      72.13  2.61
2024      72.13  2.61
2025      72.13  2.62
2026      72.12  2.62
2027      72.12  2.61
2028      72.11  2.60
2029      72.10  2.62
2030      72.10  2.60
2031      72.10  2.62
2032      72.08  2.60
2033      72.07  2.60
2034      72.06  2.60
2035      72.05  2.60
2036      72.03  2.60
2037      72.03  2.60
2038      72.03  2.60
2039      72.02  2.79
2040      72.02  2.59
2041      72.01  2.78
2042      72.01  2.61
2043      72.01  2.59
2044      72.00  2.59
2045      72.00  2.61
2046      72.00  2.59
2047      71.99  2.59
2048      71.99  2.59
2049      71.95  2.61
2050      71.95  2.78
2051      71.95  2.78
2052      71.94  2.60
2053      71.94  2.59
2054      71.94  2.59
2055      71.94  2.59
2056      71.94  2.78
2057      71.93  2.58
2058      71.93  2.58
2059      71.93  2.59
2060      71.92  2.60
2061      71.92  2.77
2062      71.92  2.60
2063      71.92  2.77
2064      71.91  2.58
2065      71.90  2.77
2066      71.89  2.60
2067      71.89  2.60
2068      71.89  2.60
2069      71.89  2.58
2070      71.87  2.58
2071      71.87  2.58
2072      71.86  2.58
2073      71.85  2.59
2074      71.85  2.58
2075      71.85  2.77
2076      71.85  2.59
2077      71.84  2.57
2078      71.84  2.59
2079      71.84  2.58
2080      71.84  2.77
2081      71.82  2.59
2082      71.82  2.76
2083      71.81  2.76
2084      71.81  2.57
2085      71.81  2.57
2086      71.80  2.59
2087      71.80  2.59
2088      71.80  2.57
2089      71.79  2.57
2090      71.77  2.57
2091      71.77  2.76
2092      71.76  2.76
2093      71.75  2.56
2094      71.74  2.58
2095      71.73  2.56
2096      71.72  2.56
2097      71.72  2.58
2098      71.72  2.56
2099      71.72  2.56
2100      71.71  2.58
2101      71.71  2.56
2102      71.70  2.75
2103      71.69  2.75
2104      71.69  2.56
2105      71.67  2.58
2106      71.66  2.55
2107      71.65  2.55
2108      71.65  2.57
2109      71.65  2.75
2110      71.60  2.74
2111      71.59  2.57
2112      71.59  2.55
2113      71.56  2.74
2114      71.55  2.54
2115      71.55  2.56
2116      71.53  2.54
2117      71.53  2.73
2118      71.53  2.54
2119      71.53  2.73
2120      71.52  2.56
2121      71.52  2.73
2122      71.52  2.73
2123      71.50  2.54
2124      71.49  2.54
2125      71.47  2.55
2126      71.46  2.55
2127      71.45  2.53
2128      71.41  2.53
2129      71.40  2.53
2130      71.35  2.71
2131      71.34  2.52
2132      71.30  2.71
2133      71.29  2.71
2134      71.28  2.51
2135      71.26  2.70
2136      71.22  2.51
2137      71.20  2.50
2138      71.19  2.50
2139      71.18  2.50
2140      71.17  2.69
2141      71.15  2.69
2142      71.13  2.69
2143      71.11  2.69
2144      71.09  2.49
2145      71.09  2.69
2146      71.08  2.49
2147      71.07  2.49
2148      71.07  2.68
2149      71.06  2.68
2150      71.04  2.49
2151      71.00  2.68
2152      70.99  2.48
2153      70.99  2.68
2154      70.97  2.48
2155      70.97  2.48
2156      70.96  2.67
2157      70.96  2.48
2158      70.94  2.67
2159      70.92  2.47
2160      70.91  2.67
2161      70.90  2.67
2162      70.88  2.66
2163      70.87  2.66
2164      70.87  2.66
2165      70.86  2.66
2166      70.86  2.66
2167      70.84  2.46
2168      70.83  2.46
2169      70.83  2.46
2170      70.82  2.66
2171      70.79  2.46
2172      70.77  2.65
2173      70.76  2.65
2174      70.75  2.45
2175      70.74  2.45
2176      70.74  2.45
2177      70.74  2.45
2178      70.73  2.45
2179      70.73  2.45
2180      70.68  2.45
2181      70.68  2.64
2182      70.65  2.64
2183      70.65  2.44
2184      70.64  2.64
2185      70.63  2.64
2186      70.62  2.64
2187      70.59  2.63
2188      70.55  2.63
2189      70.54  2.63
2190      70.52  2.63
2191      70.50  2.62
2192      70.49  2.62
2193      70.49  2.62
2194      70.48  2.62
2195      70.48  2.62
2196      70.46  2.62
2197      70.41  2.61
2198      70.41  2.61
2199      70.36  2.61
2200      70.35  2.61
2201      70.31  2.60
2202      70.31  2.60
2203      70.29  2.60
2204      70.25  2.60
2205      70.23  2.59
2206      70.21  2.59
2207      70.16  2.59
2208      70.15  2.59
2209      70.15  2.59
2210      70.04  2.57
2211      70.03  2.57
2212      70.02  2.57
2213      70.01  2.57
2214      69.93  2.56
2215      69.93  2.56
2216      69.91  2.56
2217      69.90  2.56
2218      69.90  2.56
2219      69.89  2.56
2220      69.88  2.56
2221      69.81  2.55
2222      69.81  2.55
2223      69.77  2.55
2224      69.76  2.55
2225      69.76  2.54
2226      69.74  2.54
2227      69.69  2.54
2228      69.68  2.54
2229      69.64  2.53
2230      69.64  2.53
2231      69.61  2.53
2232      69.59  2.53
2233      69.50  2.52
2234      69.47  2.51
2235      69.44  2.51
2236      69.35  2.50
2237      69.34  2.50
2238      69.33  2.50
2239      69.33  2.50
2240      69.30  2.50
2241      69.22  2.49
2242      69.22  2.49
2243      69.18  2.48
2244      69.18  2.48
2245      69.15  2.48
2246      69.04  2.47
2247      69.03  2.47
2248      69.03  2.47
2249      69.03  2.47
2250      68.97  2.46
2251      68.94  2.46
2252      68.92  2.46
2253      68.89  2.45
2254      68.88  2.45
2255      68.86  2.45
2256      68.82  2.45
2257      68.76  2.44
2258      68.71  2.43
2259      68.68  2.43
2260      68.60  2.42
$$

------------
OUTPUT FILES
------------

   No files output

CPU Time: 0 days 0 hrs 2 mins 13.80 secs (    133.80 secs)
Finished: Thu Sep 30 04:34:55 2021

******************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT TRANSLATION FUNCTION                    2.8.3 ***
******************************************************************************************


-----------------
TRANSLATIONAL NCS
-----------------

   tNCS not present

-----------------------------
DATA FOR TRANSLATION FUNCTION
-----------------------------

   Outlier Rejection
   -----------------
   No reflections are outliers


   Resolution of All Data (Number):        2.92  48.49 (2447)
   Resolution of Selected Data (Number):   2.92  48.49 (2447)


-------------------
WILSON DISTRIBUTION
-------------------

   Parameters set for Wilson log-likelihood calculation
   E = 0 and variance 1 for each reflection
   Without correction for SigF to the variances,
      Wilson log(likelihood) = - number of acentrics (2035)
                               - half number of centrics (412/2)
                             = -2241
   With correction for SigF,
      Wilson log(likelihood) = -2234.31

----------
ENSEMBLING
----------

   Ensemble Generation
   -------------------
   Resolution of Ensembles: 2.91671
   Scat% Radius Model# Rel-B    RMS   DRMS   VRMS Ensemble                           
    14.1    9.2      1  21.1  0.500  0.000  0.500 helix_pdb                          

   Trace Generation
   ----------------
   Ensemble        Trace-type  Length      Sampling Close-contact
   helix_pdb       all-atom       130          1.50          1.00

-------------------
TRANSLATION PACKING
-------------------

   Translation Packing Cutoff: 50%
   All solutions have been packed

---------------------
TRANSLATION FUNCTIONS
---------------------

   Target Function: FAST LETF1
   Translation Packing Function applied: top peak will pack
   Translation Packing Cutoff: 50%
   Sampling:  0.73 Angstroms


----------------------------
TRANSLATION FUNCTION #1 OF 8
----------------------------


   SOLU SET  RFZ=4.7 TFZ=4.3 PAK=0 LLG=63 TFZ==5.1
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER   34.2   33.1  180.4 FRAC -0.23  0.51 -0.14 BFAC -10.07 #TFZ==5.1
   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   92.0 RFZ  4.10

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   92.0 RFZ  4.10

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.535   25.925  148.923 RF   91.3 RFZ  4.03

   SOLU TRIAL ENSEMBLE helix_pdb EULER   51.869   24.857  151.761 RF   91.3 RFZ  4.02

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   90.6 RFZ  3.94

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   90.2 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   90.2 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   90.0 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   89.9 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   89.8 RFZ  3.86

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.424   24.033  161.846 RF   89.7 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   89.7 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   89.4 RFZ  3.81

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.201   26.601  163.128 RF   89.3 RFZ  3.81

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   89.3 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   89.0 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   88.9 RFZ  3.76

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   88.8 RFZ  3.76

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   88.8 RFZ  3.75

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   88.6 RFZ  3.73

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   88.6 RFZ  3.73

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   88.5 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   88.3 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   88.2 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   88.1 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   88.1 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   87.9 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   87.9 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   87.9 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   87.9 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   87.8 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   87.8 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   87.7 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   87.6 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   87.5 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   87.4 RFZ  3.61

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   87.4 RFZ  3.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   87.3 RFZ  3.59

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   87.1 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   86.9 RFZ  3.56

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   86.9 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   86.9 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   86.8 RFZ  3.54

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   86.6 RFZ  3.52

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   86.5 RFZ  3.51

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   86.5 RFZ  3.51

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   86.5 RFZ  3.51

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   86.4 RFZ  3.50

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   86.4 RFZ  3.49

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   86.2 RFZ  3.48

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   86.1 RFZ  3.46

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   86.1 RFZ  3.46

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   85.9 RFZ  3.45

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   85.8 RFZ  3.43

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   85.7 RFZ  3.42

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   85.6 RFZ  3.41

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   85.4 RFZ  3.39

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   85.2 RFZ  3.36

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   85.1 RFZ  3.35

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   85.0 RFZ  3.34

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   85.0 RFZ  3.34

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   84.9 RFZ  3.33

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   84.8 RFZ  3.33

   SOLU TRIAL ENSEMBLE helix_pdb EULER   29.925   26.470  156.022 RF   84.7 RFZ  3.32

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.619   48.334  196.267 RF   84.5 RFZ  3.29

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   84.5 RFZ  3.29

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.203   35.142  161.594 RF   84.4 RFZ  3.28

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   84.4 RFZ  3.28

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   84.3 RFZ  3.27

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   84.3 RFZ  3.27

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   84.3 RFZ  3.27

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   84.2 RFZ  3.26

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.844   29.075  162.258 RF   84.1 RFZ  3.25

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   84.1 RFZ  3.25

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   84.0 RFZ  3.24

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   84.0 RFZ  3.24

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   84.0 RFZ  3.24

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   83.9 RFZ  3.23

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   83.9 RFZ  3.23

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   83.8 RFZ  3.22

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.791   30.761  150.363 RF   83.8 RFZ  3.22

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.453   21.186  136.283 RF   83.7 RFZ  3.21

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.853   49.425  194.168 RF   83.7 RFZ  3.21

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.078   44.065  153.168 RF   83.5 RFZ  3.19

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.561   28.504  159.572 RF   83.4 RFZ  3.18

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.262   28.939  129.773 RF   83.4 RFZ  3.18

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.388   40.196  156.612 RF   83.4 RFZ  3.18

   SOLU TRIAL ENSEMBLE helix_pdb EULER  131.617   36.655  164.234 RF   83.4 RFZ  3.17

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.649   35.266  161.001 RF   83.4 RFZ  3.17

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   83.3 RFZ  3.16

   SOLU TRIAL ENSEMBLE helix_pdb EULER   12.483   21.810  155.358 RF   83.3 RFZ  3.16

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.771   36.460  172.722 RF   83.3 RFZ  3.16

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.526   31.131  133.953 RF   83.1 RFZ  3.14

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.683   28.520  158.446 RF   83.1 RFZ  3.14

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.614   52.183  186.085 RF   83.0 RFZ  3.13

   SOLU TRIAL ENSEMBLE helix_pdb EULER  108.160   30.031  138.942 RF   83.0 RFZ  3.13

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.279   27.013  139.028 RF   83.0 RFZ  3.13

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.047   28.565  158.082 RF   82.9 RFZ  3.12

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.732   40.369  165.315 RF   82.9 RFZ  3.12

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.302   50.743  192.838 RF   82.8 RFZ  3.11

   SOLU TRIAL ENSEMBLE helix_pdb EULER  139.502   30.142  154.811 RF   82.8 RFZ  3.11

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.105   29.162  138.969 RF   82.8 RFZ  3.11

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.275   54.297  181.356 RF   82.7 RFZ  3.10

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   82.7 RFZ  3.10

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.303   26.896  133.601 RF   82.6 RFZ  3.09

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.227   45.283  158.453 RF   82.6 RFZ  3.09

   SOLU TRIAL ENSEMBLE helix_pdb EULER  147.239   28.399  136.646 RF   82.4 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  137.940   55.679  141.632 RF   82.4 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  210.850   39.450  164.662 RF   82.3 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   82.3 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.110   30.878  154.447 RF   82.2 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.705   28.038  181.965 RF   82.2 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   82.174   32.079  212.797 RF   82.2 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   38.861   16.401  156.062 RF   82.1 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.765   26.601  136.983 RF   82.1 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.560   45.317  156.800 RF   82.1 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.306   29.978  154.977 RF   82.0 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  193.405   46.199  192.801 RF   82.0 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.182   36.981  179.693 RF   82.0 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.581   30.297  164.048 RF   81.9 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.278   40.307  158.593 RF   81.9 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.791   32.132  146.853 RF   81.9 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   81.9 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.387   20.578  161.440 RF   81.9 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.760   41.761  152.978 RF   81.9 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.862   32.433  178.320 RF   81.8 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  353.579   30.665  168.047 RF   81.7 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.674   29.315  136.354 RF   81.7 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  218.966   34.600  185.712 RF   81.7 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   81.7 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   49.289   33.293  141.902 RF   81.7 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.768   30.768  159.195 RF   81.7 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.500   39.817  171.071 RF   81.7 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   88.596   14.547  113.772 RF   81.7 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  182.024   40.582  148.556 RF   81.6 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   14.334   23.518  135.651 RF   81.5 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  228.515   25.247  221.999 RF   81.5 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  214.423   56.768  173.963 RF   81.5 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.583   40.879  160.397 RF   81.4 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.350   24.444   96.617 RF   81.3 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   25.214   19.891  151.386 RF   81.3 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.138   25.215  134.276 RF   81.3 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.820   38.127  146.797 RF   81.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.743   34.377  143.791 RF   81.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   26.727   22.173  134.486 RF   81.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.257   30.048  168.017 RF   81.2 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  261.465   30.958  211.704 RF   81.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.974   29.645  155.250 RF   81.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  191.680   46.966  185.047 RF   81.1 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  177.081   30.634  164.104 RF   81.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  251.757   23.300  178.313 RF   81.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.474   32.698  151.429 RF   81.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.296   30.768  159.195 RF   81.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  301.686   18.210  172.997 RF   81.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  233.342   30.768  159.195 RF   80.9 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  120.330   37.137  144.780 RF   80.9 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  201.232   44.691  195.382 RF   80.8 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.308   53.759  154.829 RF   80.8 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.224   25.260  140.714 RF   80.8 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.828   31.579  154.758 RF   80.7 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  247.473   49.991  190.954 RF   80.7 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  273.241   25.466  218.527 RF   80.7 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  186.873   43.841  170.156 RF   80.5 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.057   41.618  149.304 RF   80.5 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  116.193   13.908   85.859 RF   80.5 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  323.822   26.217  181.423 RF   80.5 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  237.787   44.836  165.264 RF   80.4 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  212.936   41.167  203.145 RF   80.4 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  249.985    7.323  233.307 RF   80.3 RFZ  2.84 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.463   11.731  223.636 RF   80.3 RFZ  2.84 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.335   58.354  154.199 RF   80.2 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.893   24.939  180.164 RF   80.2 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   17.831   18.414  140.969 RF   80.2 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.876   44.557  156.213 RF   80.2 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.392   19.880  167.093 RF   80.2 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  235.281   18.530  222.803 RF   80.1 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.035   34.851  174.050 RF   80.1 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.095   20.634  108.809 RF   80.1 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.460   21.314  150.409 RF   80.0 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  187.914   33.960  177.620 RF   80.0 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  305.879   28.560   99.448 RF   80.0 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  327.778   16.454  154.763 RF   79.9 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  107.121   15.923  103.954 RF   79.9 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.722   30.768  159.195 RF   79.9 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  270.077   26.844  178.929 RF   79.9 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.664   28.496  175.086 RF   79.8 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.480   30.768  159.195 RF   79.8 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.483   42.272  158.790 RF   79.8 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.724    9.032  130.621 RF   79.8 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.036   32.648  147.192 RF   79.8 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.762   31.367  167.872 RF   79.8 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   78.454   33.718  128.610 RF   79.6 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   39.722   18.231  145.587 RF   79.6 RFZ  2.76 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.414    5.368  211.612 RF   79.6 RFZ  2.76 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.287   26.641  100.429 RF   79.6 RFZ  2.76 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.664   23.050  182.201 RF   79.5 RFZ  2.76 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.299   19.821  136.813 RF   79.4 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  346.738   19.547  178.670 RF   79.4 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  167.554   53.753  165.358 RF   79.4 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  167.913   39.885  143.186 RF   79.4 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  171.632   44.458  159.325 RF   79.4 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.279   48.442  147.730 RF   79.3 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.443   43.194  171.864 RF   79.3 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    2.250   24.787  138.003 RF   79.3 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.170   40.468  144.627 RF   79.3 RFZ  2.73 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.724   13.530   93.504 RF   79.2 RFZ  2.73 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  309.155   23.841  175.706 RF   79.2 RFZ  2.72 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  245.347   32.164  155.672 RF   79.1 RFZ  2.72 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  292.600   27.121  184.996 RF   79.1 RFZ  2.72 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.868   17.129  138.121 RF   79.1 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  109.395   40.969  157.891 RF   79.1 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.049   35.847  175.245 RF   79.0 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  230.234   50.904  176.489 RF   79.0 RFZ  2.70 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.480   24.023  131.089 RF   79.0 RFZ  2.70 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  200.885   37.243  147.962 RF   79.0 RFZ  2.70 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  278.572   30.768  159.195 RF   78.9 RFZ  2.70 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.242   27.811  147.025 RF   78.9 RFZ  2.69 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.664   30.768  159.195 RF   78.9 RFZ  2.69 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  205.761   41.527  180.889 RF   78.8 RFZ  2.69 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  199.461   39.034  167.248 RF   78.8 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   18.341   30.410  143.145 RF   78.8 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.583   29.426  173.150 RF   78.8 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.059   39.286  172.292 RF   78.7 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  359.138   23.339  175.345 RF   78.7 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  215.092   52.358  172.249 RF   78.7 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  159.766   34.093  132.723 RF   78.7 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.749   32.036  139.851 RF   78.6 RFZ  2.66 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  205.995   55.362  156.266 RF   78.6 RFZ  2.66 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.109   33.304  152.137 RF   78.6 RFZ  2.66 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.169   32.279  155.943 RF   78.5 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  338.494   31.758  176.517 RF   78.5 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.946   24.365  161.788 RF   78.5 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  216.502   28.412  146.594 RF   78.5 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.592   42.873  152.005 RF   78.5 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  180.647   53.219  173.617 RF   78.5 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  100.219   21.636  148.565 RF   78.4 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.618   30.768  159.195 RF   78.4 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  109.534   18.020  110.510 RF   78.4 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.488   35.661  216.142 RF   78.4 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  148.402   38.491  144.073 RF   78.4 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   46.892   28.603  167.417 RF   78.3 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  184.248   45.530  146.855 RF   78.3 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.820   37.772  178.440 RF   78.3 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  137.708   19.211   82.017 RF   78.3 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   85.319   24.505  101.394 RF   78.3 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   21.642   36.352  153.484 RF   78.3 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.302   26.056  178.161 RF   78.3 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.968   41.276  171.853 RF   78.2 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.201   37.089  156.639 RF   78.2 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.311   43.587  168.237 RF   78.2 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.507   44.542  160.874 RF   78.2 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.021   47.206  198.816 RF   78.2 RFZ  2.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    7.035   35.908  152.205 RF   78.2 RFZ  2.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  334.249   37.540  157.424 RF   78.1 RFZ  2.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.349   34.097  182.439 RF   78.1 RFZ  2.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  312.617   35.970  173.606 RF   78.1 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  200.501   39.003  204.210 RF   78.0 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.930   43.233  153.410 RF   78.0 RFZ  2.59 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  325.907   37.435  156.554 RF   77.9 RFZ  2.59 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.075   48.825  125.702 RF   77.9 RFZ  2.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   78.884   19.011  132.783 RF   77.8 RFZ  2.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  283.334    5.776  208.816 RF   77.8 RFZ  2.57 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  258.340   41.841  197.962 RF   77.7 RFZ  2.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  274.412   29.322  185.075 RF   77.7 RFZ  2.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.077   32.635  209.533 RF   77.6 RFZ  2.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  309.154    9.012  183.123 RF   77.6 RFZ  2.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  223.672   39.646  202.230 RF   77.6 RFZ  2.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.129   11.878  183.406 RF   77.6 RFZ  2.55 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.323   24.669  141.232 RF   77.5 RFZ  2.55 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.829   11.489  197.872 RF   77.5 RFZ  2.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  359.706   33.033  159.523 RF   77.4 RFZ  2.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  137.842   32.059  167.509 RF   77.4 RFZ  2.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  247.179   41.198  187.738 RF   77.4 RFZ  2.53 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   15.489   12.042  160.765 RF   77.4 RFZ  2.53 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  253.287   30.342  146.391 RF   77.3 RFZ  2.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  279.689   26.024  178.281 RF   77.3 RFZ  2.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  339.282   19.463  161.916 RF   77.3 RFZ  2.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.161   49.159  155.492 RF   77.2 RFZ  2.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  142.833   27.362  131.753 RF   77.2 RFZ  2.51 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.455   46.601  141.028 RF   77.0 RFZ  2.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.145   32.296  186.766 RF   77.0 RFZ  2.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.617    8.605  197.042 RF   77.0 RFZ  2.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  141.369   61.887  148.003 RF   77.0 RFZ  2.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  277.591   30.448  204.591 RF   76.9 RFZ  2.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.687   43.189  184.295 RF   76.9 RFZ  2.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.392   32.726  161.404 RF   76.9 RFZ  2.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  167.053   44.483  143.665 RF   76.9 RFZ  2.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  236.553   23.205  184.621 RF   76.9 RFZ  2.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.885   20.049  142.016 RF   76.8 RFZ  2.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.150   30.735  150.055 RF   76.8 RFZ  2.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.996   49.044  164.605 RF   76.8 RFZ  2.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.632   23.111  140.179 RF   76.8 RFZ  2.46 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  234.049   22.834  148.435 RF   76.8 RFZ  2.46 # DEEP


   This TF set has 293 trial orientations


   #    Euler                  Rot-LLG      RF     RFZ  Ensemble
   1      61.8   25.2  150.8      34.7    92.0     4.1 helix_pdb
   2     260.3   25.9  169.4      34.2    92.0     4.1 helix_pdb
   3      81.5   25.9  148.9      33.6    91.3     4.0 helix_pdb
   4      51.9   24.9  151.8      32.6    91.3     4.0 helix_pdb
   5     154.7   35.4  158.0      34.6    90.6     3.9 helix_pdb
   6      65.1   29.9  146.5      31.8    90.2     3.9 helix_pdb
   7     311.9   26.5  162.4      33.2    90.2     3.9 helix_pdb
   8     144.5   34.2  148.9      32.6    90.0     3.9 helix_pdb
   9     254.3   27.7  166.2      34.3    89.9     3.9 helix_pdb
   10     68.5   27.2  153.3      34.9    89.8     3.9 helix_pdb
   11    330.4   24.0  161.8      30.9    89.7     3.9 helix_pdb
   12     95.2   25.2  143.9      31.6    89.7     3.8 helix_pdb
   13    130.9   39.3  153.8      28.7    89.4     3.8 helix_pdb
   14    302.2   26.6  163.1      32.9    89.3     3.8 helix_pdb
   15    138.4   28.8  146.0      33.9    89.3     3.8 helix_pdb
   16    119.8   27.8  146.6      33.8    89.0     3.8 helix_pdb
   17     66.9   34.6  143.2      30.8    88.9     3.8 helix_pdb
   18    105.0   25.8  143.1      31.7    88.8     3.8 helix_pdb
   19     41.8   24.6  152.9      30.0    88.8     3.8 helix_pdb
   20    240.9   26.8  170.8      31.4    88.6     3.7 helix_pdb
   21    136.3   40.2  158.3      29.1    88.6     3.7 helix_pdb
   22    332.6   27.0  170.3      29.5    88.5     3.7 helix_pdb
   23    266.4   24.0  172.4      29.2    88.3     3.7 helix_pdb
   24    179.4   35.7  151.0      30.3    88.2     3.7 helix_pdb
   25     98.1   38.3  149.4      29.7    88.1     3.7 helix_pdb
   26    114.5   26.4  142.5      31.1    88.1     3.7 helix_pdb
   27     89.7   37.8  148.5      30.5    87.9     3.7 helix_pdb
   28    238.5   34.6  163.9      30.9    87.9     3.7 helix_pdb
   29    290.4   33.1  166.7      32.7    87.9     3.7 helix_pdb
   30    125.0   29.0  150.7      35.5    87.9     3.7 helix_pdb
   31    231.2   27.3  171.5      32.0    87.8     3.6 helix_pdb
   32     56.3   20.6  156.8      29.4    87.8     3.6 helix_pdb
   33     72.9   36.8  146.8      31.5    87.7     3.6 helix_pdb
   34    281.6   33.4  166.5      31.9    87.6     3.6 helix_pdb
   35    114.5   38.8  151.6      28.3    87.5     3.6 helix_pdb
   36    243.8   38.1  168.7      26.7    87.4     3.6 helix_pdb
   37      1.1   24.0  157.9      28.1    87.4     3.6 helix_pdb
   38    133.6   27.8  141.5      29.9    87.3     3.6 helix_pdb
   39    350.9   26.2  159.2      29.8    87.1     3.6 helix_pdb
   40     86.2   34.2  153.4      34.8    86.9     3.6 helix_pdb
   41    286.9   23.0  169.8      26.5    86.9     3.6 helix_pdb
   42    161.0   30.0  141.4      32.9    86.9     3.5 helix_pdb
   43    170.1   30.7  141.5      33.6    86.8     3.5 helix_pdb
   44    351.9   21.7  148.5      27.6    86.6     3.5 helix_pdb
   45    226.1   28.7  167.3      33.5    86.5     3.5 helix_pdb
   46    331.0   25.5  151.2      32.2    86.5     3.5 helix_pdb
   47    316.8   32.1  167.6      32.9    86.5     3.5 helix_pdb
   48     10.7   27.0  148.4      31.0    86.4     3.5 helix_pdb
   49    168.8   39.9  163.1      26.6    86.4     3.5 helix_pdb
   50    276.5   23.5  171.3      26.8    86.2     3.5 helix_pdb
   51    246.3   25.1  174.6      26.8    86.1     3.5 helix_pdb
   52    322.8   28.6  160.3      32.4    86.1     3.5 helix_pdb
   53    168.9   35.3  142.5      26.6    85.9     3.4 helix_pdb
   54     94.9   34.5  153.8      33.0    85.8     3.4 helix_pdb
   55    248.3   29.3  162.7      31.8    85.7     3.4 helix_pdb
   56    188.5   36.1  151.9      27.7    85.6     3.4 helix_pdb
   57    296.4   20.6  159.3      26.0    85.4     3.4 helix_pdb
   58     27.1   27.8  147.5      28.6    85.2     3.4 helix_pdb
   59    219.0   39.2  165.8      25.4    85.1     3.4 helix_pdb
   60    232.6   37.5  171.1      23.6    85.0     3.3 helix_pdb
   61    152.6   30.0  150.4      34.1    85.0     3.3 helix_pdb
   62     30.4   24.9  165.3      31.0    84.9     3.3 helix_pdb
   63    285.3   35.8  173.3      25.2    84.8     3.3 helix_pdb
   64     29.9   26.5  156.0      28.5    84.7     3.3 helix_pdb
   65    242.6   48.3  196.3      20.3    84.5     3.3 helix_pdb
   66    302.5   34.5  174.6      26.4    84.5     3.3 helix_pdb
   67    204.2   35.1  161.6      26.7    84.4     3.3 helix_pdb
   68    260.3   37.3  170.7      24.9    84.4     3.3 helix_pdb
   69    163.6   40.0  158.2      24.4    84.3     3.3 helix_pdb
   70    221.3   35.0  162.8      26.9    84.3     3.3 helix_pdb
   71    217.5   27.2  176.3      28.8    84.3     3.3 helix_pdb
   72    155.4   40.0  157.0      25.1    84.2     3.3 helix_pdb
   73    266.8   29.1  162.3      30.1    84.1     3.3 helix_pdb
   74    248.5   40.7  162.8      24.9    84.1     3.2 helix_pdb
   75    335.6   60.2  153.7      26.8    84.0     3.2 helix_pdb
   76    174.8   35.2  168.2      28.6    84.0     3.2 helix_pdb
   77    165.5   35.6  167.6      28.7    84.0     3.2 helix_pdb
   78     10.9   21.0  165.8      24.3    83.9     3.2 helix_pdb
   79     60.8   26.6  129.6      23.4    83.9     3.2 helix_pdb
   80    352.1   21.6  169.2      23.2    83.8     3.2 helix_pdb
   81    170.8   30.8  150.4      32.5    83.8     3.2 helix_pdb
   82     84.5   21.2  136.3      21.9    83.7     3.2 helix_pdb
   83     55.9   49.4  194.2      23.3    83.7     3.2 helix_pdb
   84    140.1   44.1  153.2      21.0    83.5     3.2 helix_pdb
   85    341.6   28.5  159.6      29.5    83.4     3.2 helix_pdb
   86     79.3   28.9  129.8      22.7    83.4     3.2 helix_pdb
   87    183.4   40.2  156.6      23.4    83.4     3.2 helix_pdb
   88    131.6   36.7  164.2      29.8    83.4     3.2 helix_pdb
   89    195.6   35.3  161.0      26.1    83.4     3.2 helix_pdb
   90     42.6   32.8  151.2      33.7    83.3     3.2 helix_pdb
   91     12.5   21.8  155.4      22.5    83.3     3.2 helix_pdb
   92    276.8   36.5  172.7      23.9    83.3     3.2 helix_pdb
   93     84.5   31.1  134.0      22.2    83.1     3.1 helix_pdb
   94      9.7   28.5  158.4      29.2    83.1     3.1 helix_pdb
   95    232.6   52.2  186.1      18.1    83.0     3.1 helix_pdb
   96    108.2   30.0  138.9      22.1    83.0     3.1 helix_pdb
   97     31.3   27.0  139.0      26.0    83.0     3.1 helix_pdb
   98     19.0   28.6  158.1      29.3    82.9     3.1 helix_pdb
   99    264.7   40.4  165.3      24.4    82.9     3.1 helix_pdb
   100   194.3   50.7  192.8      18.9    82.8     3.1 helix_pdb
   101   139.5   30.1  154.8      33.1    82.8     3.1 helix_pdb
   102    99.1   29.2  139.0      22.3    82.8     3.1 helix_pdb
   103   227.3   54.3  181.4      17.4    82.7     3.1 helix_pdb
   104   224.3   30.8  179.4      23.4    82.7     3.1 helix_pdb
   105    47.3   26.9  133.6      23.3    82.6     3.1 helix_pdb
   106   206.2   45.3  158.5      20.4    82.6     3.1 helix_pdb
   ----- angles below here for deep search only -----
   107   147.2   28.4  136.6      24.9    82.4     3.1 helix_pdb
   108   137.9   55.7  141.6      17.0    82.4     3.1 helix_pdb
   109   210.9   39.5  164.7      21.8    82.3     3.1 helix_pdb
   110    35.0   58.5  174.9      23.5    82.3     3.1 helix_pdb
   111   176.1   30.9  154.4      31.1    82.2     3.0 helix_pdb
   112   304.7   28.0  182.0      22.3    82.2     3.0 helix_pdb
   113    82.2   32.1  212.8      23.4    82.2     3.0 helix_pdb
   114    38.9   16.4  156.1      21.0    82.1     3.0 helix_pdb
   115   128.8   26.6  137.0      23.1    82.1     3.0 helix_pdb
   116   197.6   45.3  156.8      21.1    82.1     3.0 helix_pdb
   117   130.3   30.0  155.0      32.3    82.0     3.0 helix_pdb
   118   193.4   46.2  192.8      16.7    82.0     3.0 helix_pdb
   119   206.2   37.0  179.7      21.0    82.0     3.0 helix_pdb
   120   192.6   30.3  164.0      31.6    81.9     3.0 helix_pdb
   121   197.3   40.3  158.6      21.9    81.9     3.0 helix_pdb
   122   194.8   32.1  146.9      32.6    81.9     3.0 helix_pdb
   123   207.9   27.9  176.7      27.6    81.9     3.0 helix_pdb
   124   285.4   20.6  161.4      23.7    81.9     3.0 helix_pdb
   125   209.8   41.8  153.0      23.1    81.9     3.0 helix_pdb
   126   206.9   32.4  178.3      22.1    81.8     3.0 helix_pdb
   127   353.6   30.7  168.0      32.6    81.7     3.0 helix_pdb
   128   156.7   29.3  136.4      24.9    81.7     3.0 helix_pdb
   129   219.0   34.6  185.7      20.5    81.7     3.0 helix_pdb
   130   207.4   29.4  167.8      30.0    81.7     3.0 helix_pdb
   131    49.3   33.3  141.9      26.0    81.7     3.0 helix_pdb
   132   153.8   30.8  159.2      30.6    81.7     3.0 helix_pdb
   133   174.5   39.8  171.1      21.4    81.7     3.0 helix_pdb
   134    88.6   14.5  113.8      18.9    81.7     3.0 helix_pdb
   135   182.0   40.6  148.6      21.4    81.6     3.0 helix_pdb
   136    14.3   23.5  135.7      21.4    81.5     3.0 helix_pdb
   137   228.5   25.2  222.0      17.0    81.5     3.0 helix_pdb
   138   214.4   56.8  174.0      18.3    81.5     3.0 helix_pdb
   139   125.6   40.9  160.4      24.1    81.4     3.0 helix_pdb
   140   300.4   24.4   96.6      23.3    81.3     3.0 helix_pdb
   141    25.2   19.9  151.4      19.1    81.3     2.9 helix_pdb
   142    31.1   25.2  134.3      21.7    81.3     2.9 helix_pdb
   143   136.8   38.1  146.8      20.1    81.2     2.9 helix_pdb
   144    37.7   34.4  143.8      29.8    81.2     2.9 helix_pdb
   145    26.7   22.2  134.5      19.5    81.2     2.9 helix_pdb
   146     9.3   30.0  168.0      33.7    81.2     2.9 helix_pdb
   147   261.5   31.0  211.7      16.1    81.1     2.9 helix_pdb
   148   112.0   29.6  155.3      30.9    81.1     2.9 helix_pdb
   149   191.7   47.0  185.0      16.5    81.1     2.9 helix_pdb
   150   177.1   30.6  164.1      31.7    81.0     2.9 helix_pdb
   151   251.8   23.3  178.3      20.9    81.0     2.9 helix_pdb
   152   221.5   32.7  151.4      31.4    81.0     2.9 helix_pdb
   153   224.3   30.8  159.2      30.2    81.0     2.9 helix_pdb
   154   301.7   18.2  173.0      18.1    81.0     2.9 helix_pdb
   155   233.3   30.8  159.2      30.1    80.9     2.9 helix_pdb
   156   120.3   37.1  144.8      19.7    80.9     2.9 helix_pdb
   157   201.2   44.7  195.4      16.6    80.8     2.9 helix_pdb
   158   156.3   53.8  154.8      16.3    80.8     2.9 helix_pdb
   159    52.2   25.3  140.7      20.5    80.8     2.9 helix_pdb
   160   209.8   31.6  154.8      30.3    80.7     2.9 helix_pdb
   161   247.5   50.0  191.0      15.5    80.7     2.9 helix_pdb
   162   273.2   25.5  218.5      16.8    80.7     2.9 helix_pdb
   163   186.9   43.8  170.2      19.6    80.5     2.9 helix_pdb
   164   197.1   41.6  149.3      20.9    80.5     2.9 helix_pdb
   165   116.2   13.9   85.9      16.5    80.5     2.9 helix_pdb
   166   323.8   26.2  181.4      20.0    80.5     2.9 helix_pdb
   167   237.8   44.8  165.3      17.7    80.4     2.9 helix_pdb
   168   212.9   41.2  203.1      17.5    80.4     2.9 helix_pdb
   169   250.0    7.3  233.3      14.5    80.3     2.8 helix_pdb
   170    72.5   11.7  223.6      22.9    80.3     2.8 helix_pdb
   171   156.3   58.4  154.2      16.5    80.2     2.8 helix_pdb
   172   231.9   24.9  180.2      20.6    80.2     2.8 helix_pdb
   173    17.8   18.4  141.0      18.6    80.2     2.8 helix_pdb
   174   155.9   44.6  156.2      18.4    80.2     2.8 helix_pdb
   175   316.4   19.9  167.1      18.7    80.2     2.8 helix_pdb
   176   235.3   18.5  222.8      15.4    80.1     2.8 helix_pdb
   177   179.0   34.9  174.0      23.1    80.1     2.8 helix_pdb
   178   101.1   20.6  108.8      15.6    80.1     2.8 helix_pdb
   179    89.5   21.3  150.4      25.2    80.0     2.8 helix_pdb
   180   187.9   34.0  177.6      21.1    80.0     2.8 helix_pdb
   181   305.9   28.6   99.4      21.4    80.0     2.8 helix_pdb
   182   327.8   16.5  154.8      17.8    79.9     2.8 helix_pdb
   183   107.1   15.9  104.0      14.4    79.9     2.8 helix_pdb
   184   144.7   30.8  159.2      29.4    79.9     2.8 helix_pdb
   185   270.1   26.8  178.9      19.7    79.9     2.8 helix_pdb
   186   350.7   28.5  175.1      25.8    79.8     2.8 helix_pdb
   187   260.5   30.8  159.2      27.1    79.8     2.8 helix_pdb
   188   242.5   42.3  158.8      22.0    79.8     2.8 helix_pdb
   189    63.7    9.0  130.6      16.9    79.8     2.8 helix_pdb
   190   204.0   32.6  147.2      31.3    79.8     2.8 helix_pdb
   191   155.8   31.4  167.9      31.0    79.8     2.8 helix_pdb
   192    78.5   33.7  128.6      17.8    79.6     2.8 helix_pdb
   193    39.7   18.2  145.6      17.6    79.6     2.8 helix_pdb
   194   101.4    5.4  211.6      22.4    79.6     2.8 helix_pdb
   195   136.3   26.6  100.4      14.6    79.6     2.8 helix_pdb
   196   332.7   23.1  182.2      17.8    79.5     2.8 helix_pdb
   197    37.3   19.8  136.8      18.5    79.4     2.7 helix_pdb
   198   346.7   19.5  178.7      17.4    79.4     2.7 helix_pdb
   199   167.6   53.8  165.4      15.8    79.4     2.7 helix_pdb
   200   167.9   39.9  143.2      18.4    79.4     2.7 helix_pdb
   201   171.6   44.5  159.3      18.2    79.4     2.7 helix_pdb
   202   153.3   48.4  147.7      14.8    79.3     2.7 helix_pdb
   203   195.4   43.2  171.9      18.4    79.3     2.7 helix_pdb
   204     2.3   24.8  138.0      22.7    79.3     2.7 helix_pdb
   205   176.2   40.5  144.6      18.7    79.3     2.7 helix_pdb
   206   287.7   13.5   93.5      23.0    79.2     2.7 helix_pdb
   207   309.2   23.8  175.7      18.4    79.2     2.7 helix_pdb
   208   245.3   32.2  155.7      27.9    79.1     2.7 helix_pdb
   209   292.6   27.1  185.0      17.6    79.1     2.7 helix_pdb
   210    55.9   17.1  138.1      17.1    79.1     2.7 helix_pdb
   211   109.4   41.0  157.9      23.2    79.1     2.7 helix_pdb
   212   238.0   35.8  175.2      18.6    79.0     2.7 helix_pdb
   213   230.2   50.9  176.5      14.7    79.0     2.7 helix_pdb
   214    79.5   24.0  131.1      17.4    79.0     2.7 helix_pdb
   215   200.9   37.2  148.0      21.7    79.0     2.7 helix_pdb
   216   278.6   30.8  159.2      27.9    78.9     2.7 helix_pdb
   217   206.2   27.8  147.0      36.0    78.9     2.7 helix_pdb
   218   296.7   30.8  159.2      29.3    78.9     2.7 helix_pdb
   219   205.8   41.5  180.9      15.7    78.8     2.7 helix_pdb
   220   199.5   39.0  167.2      18.9    78.8     2.7 helix_pdb
   221    18.3   30.4  143.1      25.9    78.8     2.7 helix_pdb
   222   192.6   29.4  173.2      26.5    78.8     2.7 helix_pdb
   223   183.1   39.3  172.3      19.1    78.7     2.7 helix_pdb
   224   359.1   23.3  175.3      19.1    78.7     2.7 helix_pdb
   225   215.1   52.4  172.2      15.5    78.7     2.7 helix_pdb
   226   159.8   34.1  132.7      17.6    78.7     2.7 helix_pdb
   227   239.7   32.0  139.9      41.6    78.6     2.7 helix_pdb
   228   206.0   55.4  156.3      13.3    78.6     2.7 helix_pdb
   229   239.1   33.3  152.1      29.0    78.6     2.7 helix_pdb
   230   254.2   32.3  155.9      27.2    78.5     2.7 helix_pdb
   231   338.5   31.8  176.5      25.6    78.5     2.7 helix_pdb
   232   239.9   24.4  161.8      29.8    78.5     2.7 helix_pdb
   233   216.5   28.4  146.6      35.1    78.5     2.7 helix_pdb
   234   219.6   42.9  152.0      18.7    78.5     2.6 helix_pdb
   235   180.6   53.2  173.6      14.5    78.5     2.6 helix_pdb
   236   100.2   21.6  148.6      24.5    78.4     2.6 helix_pdb
   237   287.6   30.8  159.2      28.4    78.4     2.6 helix_pdb
   238   109.5   18.0  110.5      14.2    78.4     2.6 helix_pdb
   239    81.5   35.7  216.1      17.6    78.4     2.6 helix_pdb
   240   148.4   38.5  144.1      17.4    78.4     2.6 helix_pdb
   241    46.9   28.6  167.4      31.9    78.3     2.6 helix_pdb
   242   184.2   45.5  146.9      17.0    78.3     2.6 helix_pdb
   243   197.8   37.8  178.4      17.4    78.3     2.6 helix_pdb
   244   137.7   19.2   82.0      12.9    78.3     2.6 helix_pdb
   245    85.3   24.5  101.4      15.3    78.3     2.6 helix_pdb
   246    21.6   36.4  153.5      35.8    78.3     2.6 helix_pdb
   247   352.3   26.1  178.2      20.4    78.3     2.6 helix_pdb
   248   154.0   41.3  171.9      18.7    78.2     2.6 helix_pdb
   249    56.2   37.1  156.6      34.3    78.2     2.6 helix_pdb
   250   217.3   43.6  168.2      17.1    78.2     2.6 helix_pdb
   251   179.5   44.5  160.9      16.2    78.2     2.6 helix_pdb
   252    30.0   47.2  198.8      18.8    78.2     2.6 helix_pdb
   253     7.0   35.9  152.2      34.6    78.2     2.6 helix_pdb
   254   334.2   37.5  157.4      36.5    78.1     2.6 helix_pdb
   255   231.3   34.1  182.4      17.5    78.1     2.6 helix_pdb
   256   312.6   36.0  173.6      23.0    78.1     2.6 helix_pdb
   257   200.5   39.0  204.2      12.7    78.0     2.6 helix_pdb
   258   227.9   43.2  153.4      18.2    78.0     2.6 helix_pdb
   259   325.9   37.4  156.6      35.8    77.9     2.6 helix_pdb
   260   165.1   48.8  125.7      13.1    77.9     2.6 helix_pdb
   261    78.9   19.0  132.8      14.8    77.8     2.6 helix_pdb
   262   283.3    5.8  208.8      14.2    77.8     2.6 helix_pdb
   263   258.3   41.8  198.0      13.7    77.7     2.6 helix_pdb
   264   274.4   29.3  185.1      17.2    77.7     2.6 helix_pdb
   265   254.1   32.6  209.5      12.4    77.6     2.6 helix_pdb
   266   309.2    9.0  183.1      13.0    77.6     2.6 helix_pdb
   267   223.7   39.6  202.2      12.5    77.6     2.6 helix_pdb
   268   300.1   11.9  183.4      14.0    77.6     2.5 helix_pdb
   269   152.3   24.7  141.2      24.1    77.5     2.5 helix_pdb
   270   276.8   11.5  197.9      12.2    77.5     2.5 helix_pdb
   271   359.7   33.0  159.5      29.0    77.4     2.5 helix_pdb
   272   137.8   32.1  167.5      28.5    77.4     2.5 helix_pdb
   273   247.2   41.2  187.7      14.0    77.4     2.5 helix_pdb
   274    15.5   12.0  160.8      13.7    77.4     2.5 helix_pdb
   275   253.3   30.3  146.4      33.0    77.3     2.5 helix_pdb
   276   279.7   26.0  178.3      17.9    77.3     2.5 helix_pdb
   277   339.3   19.5  161.9      16.4    77.3     2.5 helix_pdb
   278   156.2   49.2  155.5      14.5    77.2     2.5 helix_pdb
   279   142.8   27.4  131.8      17.2    77.2     2.5 helix_pdb
   280   140.5   46.6  141.0      13.2    77.0     2.5 helix_pdb
   281   302.1   32.3  186.8      16.6    77.0     2.5 helix_pdb
   282   332.6    8.6  197.0      10.9    77.0     2.5 helix_pdb
   283   141.4   61.9  148.0      12.0    77.0     2.5 helix_pdb
   284   277.6   30.4  204.6      12.0    76.9     2.5 helix_pdb
   285   231.7   43.2  184.3      13.9    76.9     2.5 helix_pdb
   286    52.4   32.7  161.4      29.2    76.9     2.5 helix_pdb
   287   167.1   44.5  143.7      16.2    76.9     2.5 helix_pdb
   288   236.6   23.2  184.6      16.3    76.9     2.5 helix_pdb
   289   330.9   20.0  142.0      18.1    76.8     2.5 helix_pdb
   290   350.2   30.7  150.1      27.4    76.8     2.5 helix_pdb
   291   177.0   49.0  164.6      13.9    76.8     2.5 helix_pdb
   292   341.6   23.1  140.2      19.9    76.8     2.5 helix_pdb
   293   234.0   22.8  148.4      37.0    76.8     2.5 helix_pdb

      106 trial orientations in initial search
      187 trial orientations in deep search


   Scoring 586 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #1 of 8
   0%            100%
   |==============| DONE

   Mean Score (Sigma):       38.34   (10.81)

   SET #1 of 8 TRIAL #1 of 106
   ---------------------------
   Ensemble helix_pdb Euler  61.81  25.19 150.76 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      10250 peaks
      All peaks checked for packing
      Translation peak 13 first to be kept
      Done


   New Top Packing Fast Translation Function FSS = 101.46 (TFZ=4.4) at Trial #1


   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 494 sites over 67.5% of top
   494 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.588  0.003  0.982     101.46  4.42
   2      0.088  0.503  0.982     101.46  4.42
   3      0.410  0.467  0.651     100.00  4.18
   #Sites = 494: output truncated to 3 sites

   Top 494 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #1 of 106
   0%                     100%
   |=======================| DONE

   Packing LLG Translations: pass 1 of 11...
      494 peaks
      2 peaks over 89.6458 checked for packing
      Translation peak 1 first to be kept
      Done
      Exit: found a peak that packs


   New Top (ML) Translation Function LLG = 89.65 (TFZ=3.9) at Trial #1

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 67 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.831  0.790  0.273     89.646  3.90   0.0      2     98.281/    98.281
   2      0.269  0.956  0.449     87.854  3.94  25.0      6     98.484/    98.484
   3      0.895  0.603  0.444     87.044  4.15   9.5      4     99.773/    99.773
   #SITES = 67: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #2 of 106
   ---------------------------
   Ensemble helix_pdb Euler 260.25  25.95 169.44 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      9888 peaks
      8 peaks over 101.457 checked for packing
      Translation peak 3 first to be kept
      Done


   New Top Packing Fast Translation Function FSS = 103.01 (TFZ=4.7) at Trial #2


   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 286 sites over 67.5% of top
   286 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.439  0.020  0.723     103.01  4.73
   2      0.939  0.520  0.723     103.01  4.73
   3      0.286  0.997  0.493     102.89  4.71
   #Sites = 286: output truncated to 3 sites

   Top 286 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #2 of 106
   0%            100%
   |==============| DONE

   Packing LLG Translations: pass 1 of 1...
      286 peaks
      4 peaks over 89.6458 checked for packing
      Translation peak 1 first to be kept
      Done
      Exit: found a peak that packs


   New Top (ML) Translation Function LLG = 93.45 (TFZ=4.5) at Trial #2

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 40 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.721  0.967  0.506     93.451  4.51   0.0      4     101.72/    102.89
   2      0.939  0.520  0.723     89.016  4.73  18.7      4     103.01/    103.01
   3      0.705  0.458  0.920     88.138  4.47  29.6      6     101.45/    101.45
   #SITES = 40: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #3 of 106
   ---------------------------
   Ensemble helix_pdb Euler  81.53  25.92 148.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 103.01 (TFZ=4.7)
   Current Top (ML) Packing Translation Function LLG = 93.45 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 264 sites over 67.5% of top
   264 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.432  0.961  0.986     101.13  4.52
   2      0.932  0.461  0.986     101.13  4.52
   3      0.384  0.545  0.655     100.72  4.46
   #Sites = 264: output truncated to 3 sites

   Top 264 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #3 of 106
   0%           100%
   |=============| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 49 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.750  0.505  0.452     90.459  3.83   0.0      4     96.812/    96.812
   2      0.381  0.448  0.987     89.838  4.22  22.2      6     99.237/   100.494
   3      0.897  0.497  0.003     88.778  4.32  28.2      6     99.883/    99.883
   #SITES = 49: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #4 of 106
   ---------------------------
   Ensemble helix_pdb Euler  51.87  24.86 151.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 103.01 (TFZ=4.7)
   Current Top (ML) Packing Translation Function LLG = 93.45 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 216 sites over 67.5% of top
   216 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.412  0.403  0.157     102.98  4.93
   2      0.912  0.903  0.157     102.98  4.93
   3      0.416  0.402  0.164     102.53  4.85
   #Sites = 216: output truncated to 3 sites

   Top 216 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #4 of 106
   0%         100%
   |===========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 45 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.416  0.902  0.988     89.960  4.84   0.0      6     102.42/    102.42
   2      0.916  0.902  0.164     87.940  4.85  25.5      4     102.53/    102.98
   3      0.792  0.884  0.998     87.825  4.14  34.3      2      98.18/     98.18
   #SITES = 45: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #5 of 106
   ---------------------------
   Ensemble helix_pdb Euler 154.74  35.36 158.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 103.01 (TFZ=4.7)
   Current Top (ML) Packing Translation Function LLG = 93.45 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 278 sites over 67.5% of top
   278 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.710  0.808  0.763     102.42  4.63
   2      0.210  0.308  0.763     102.42  4.63
   3      0.732  0.485  0.323     102.04  4.57
   #Sites = 278: output truncated to 3 sites

   Top 278 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #5 of 106
   0%            100%
   |==============| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 42 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.727  0.487  0.316     89.252  4.17   0.0      4     99.556/   102.043
   2      0.210  0.308  0.763     88.817  4.63  10.8      4    102.425/   102.425
   3      0.406  0.224  0.262     86.633  4.28  28.2      2    100.257/   100.257
   #SITES = 42: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #6 of 106
   ---------------------------
   Ensemble helix_pdb Euler  65.08  29.91 146.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 103.01 (TFZ=4.7)
   Current Top (ML) Packing Translation Function LLG = 93.45 (TFZ=4.5)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 146 sites over 67.5% of top
   146 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.764  0.368  0.440     102.40  4.96
   2      0.264  0.868  0.440     102.40  4.96
   3      0.412  0.867  0.992     100.82  4.71
   #Sites = 146: output truncated to 3 sites

   Top 146 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #6 of 106
   0%      100%
   |========| DONE

   Packing LLG Translations: pass 1 of 1...
      146 peaks
      4 peaks over 93.4507 checked for packing
      Translation peak 1 first to be kept
      Done
      Exit: found a peak that packs


   New Top (ML) Translation Function LLG = 97.91 (TFZ=5.0) at Trial #6

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.264  0.868  0.440     97.908  4.96   0.0      6     102.40/    102.40
   2      0.412  0.867  0.992     87.799  4.71  28.2      4     100.82/    100.82
   3      0.320  0.309  0.761     86.425  3.82  20.4      4      95.43/     96.28
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #7 of 106
   ---------------------------
   Ensemble helix_pdb Euler 311.90  26.45 162.39 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      9960 peaks
      2 peaks over 103.01 checked for packing
      No translation peaks pack
      Done

   Current Top Packing Fast Translation Function FSS = 103.01 (TFZ=4.7)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 244 sites over 67.5% of top
   244 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.732  0.038  0.414     101.49  4.60
   2      0.232  0.538  0.414     101.49  4.60
   3      0.819  0.548  0.501     101.48  4.60
   #Sites = 244: output truncated to 3 sites

   Top 244 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #7 of 106
   0%          100%
   |============| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.732  0.038  0.414     97.731  4.60   0.0      6     101.49/    101.49
   2      0.397  0.044  0.516     88.298  4.37  15.1      4     100.07/    100.07
   3      0.870  0.012  0.952     87.098  4.35  27.7      4      99.90/    100.95
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #8 of 106
   ---------------------------
   Ensemble helix_pdb Euler 144.54  34.20 148.87 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      10650 peaks
      4 peaks over 103.01 checked for packing
      Translation peak 1 first to be kept
      Done


   New Top Packing Fast Translation Function FSS = 105.36 (TFZ=5.3) at Trial #8


   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 112 sites over 67.5% of top
   112 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.728  0.039  0.764     105.36  5.33
   2      0.228  0.539  0.764     105.36  5.33
   3      0.282  0.998  0.684     104.26  5.16
   #Sites = 112: output truncated to 3 sites

   Top 112 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #8 of 106
   0%    100%
   |======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 21 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.782  0.498  0.684     91.502  5.16   0.0      4     104.26/    104.26
   2      0.228  0.539  0.764     91.278  5.33  27.9      4     105.36/    105.36
   3      0.752  0.251  0.290     90.879  4.46  24.1      4      99.90/    101.09
   #SITES = 21: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #9 of 106
   ---------------------------
   Ensemble helix_pdb Euler 254.25  27.73 166.18 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      9510 peaks
      2 peaks over 105.363 checked for packing
      Translation peak 1 first to be kept
      Done


   New Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2) at Trial #9


   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 114 sites over 67.5% of top
   114 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.706  0.001  0.502     105.37  5.16
   2      0.206  0.501  0.502     105.37  5.16
   3      0.271  0.031  0.487     105.07  5.11
   #Sites = 114: output truncated to 3 sites

   Top 114 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #9 of 106
   0%    100%
   |======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.706  0.001  0.502     96.832  5.16   0.0      4     105.37/    105.37
   2      0.771  0.531  0.487     91.488  5.11  13.0      4     105.07/    105.07
   3      0.396  0.942  0.160     83.990  4.15  22.1      2      99.15/     99.15
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #10 of 106
   ----------------------------
   Ensemble helix_pdb Euler  68.53  27.20 153.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 188 sites over 67.5% of top
   188 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.811  0.997  0.426     103.41  4.83
   2      0.311  0.497  0.426     103.41  4.83
   3      0.356  0.483  0.538     102.41  4.67
   #Sites = 188: output truncated to 3 sites

   Top 188 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #10 of 106
   0%        100%
   |==========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 38 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.248  0.960  0.443     88.536  4.09   0.0      2     98.761/    98.761
   2      0.811  0.810  0.269     85.846  3.85  22.5      2     97.263/    97.263
   3      0.862  0.440  0.224     83.983  4.31  30.9      4    100.145/   100.145
   #SITES = 38: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #11 of 106
   ----------------------------
   Ensemble helix_pdb Euler 330.42  24.03 161.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 76 sites over 67.5% of top
   76 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.410  0.953  0.479     103.00  5.26
   2      0.910  0.453  0.479     103.00  5.26
   3      0.410  0.583  0.979     102.73  5.22
   #Sites = 76: output truncated to 3 sites

   Top 76 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #11 of 106
   0%   100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 16 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.255  0.580  0.419     94.151  4.53   0.0      2     98.502/    98.502
   2      0.910  0.453  0.479     91.852  5.26  20.3      4    102.997/   102.997
   3      0.608  0.056  0.081     91.349  4.34  27.9      4     97.358/    99.297
   #SITES = 16: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #12 of 106
   ----------------------------
   Ensemble helix_pdb Euler  95.22  25.15 143.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 58 sites over 67.5% of top
   58 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.618  0.420  0.607     99.899  4.73
   2      0.118  0.920  0.607     99.899  4.73
   3      0.384  0.542  0.663     99.321  4.63
   #Sites = 58: output truncated to 3 sites

   Top 58 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #12 of 106
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 16 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.400  0.051  0.538     91.033  4.06   0.0      4     95.908/    95.908
   2      0.884  0.042  0.663     88.010  4.63  20.4      2     99.321/    99.321
   3      0.898  0.540  0.011     87.659  4.28  29.5      2     97.178/    97.178
   #SITES = 16: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #13 of 106
   ----------------------------
   Ensemble helix_pdb Euler 130.85  39.28 153.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.700  0.800  0.642     96.957  4.68
   2      0.200  0.300  0.642     96.957  4.68
   3      0.701  0.343  0.642     95.018  4.35
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #13 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.726  0.955  0.319     86.957  4.28   0.0      2     94.616/    94.616
   2      0.670  0.882  0.196     86.256  4.28   6.2      4     94.584/    94.584
   3      0.700  0.800  0.642     85.615  4.68  22.4      2     96.957/    96.957
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #14 of 106
   ----------------------------
   Ensemble helix_pdb Euler 302.20  26.60 163.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 94 sites over 67.5% of top
   94 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.365  0.487  0.957     100.23  4.57
   2      0.865  0.987  0.957     100.23  4.57
   3      0.805  0.528  0.495     100.02  4.54
   #Sites = 94: output truncated to 3 sites

   Top 94 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #14 of 106
   0%    100%
   |======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 28 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.805  0.528  0.495     88.589  4.54   0.0      2     100.02/    100.02
   2      0.865  0.987  0.957     87.052  4.57  28.3      8     100.23/    100.23
   3      0.910  0.116  0.839     86.345  4.09  19.8      2      97.19/     97.19
   #SITES = 28: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #15 of 106
   ----------------------------
   Ensemble helix_pdb Euler 138.41  28.85 146.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 66 sites over 67.5% of top
   66 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.269  0.624  0.878     102.23  4.92
   2      0.769  0.124  0.878     102.23  4.92
   3      0.274  0.622  0.885     100.93  4.70
   #Sites = 66: output truncated to 3 sites

   Top 66 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #15 of 106
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.774  0.122  0.885     93.307  4.70   0.0      4     100.93/    102.23
   2      0.221  0.626  0.766     87.433  4.58  43.3      4     100.18/    100.18
   3      0.754  0.911  0.293     86.220  3.70  27.6      2      94.84/     94.84
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #16 of 106
   ----------------------------
   Ensemble helix_pdb Euler 119.80  27.80 146.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 86 sites over 67.5% of top
   86 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.292  0.634  0.878     101.85  4.84
   2      0.792  0.134  0.878     101.85  4.84
   3      0.315  0.904  0.936     101.04  4.71
   #Sites = 86: output truncated to 3 sites

   Top 86 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #16 of 106
   0%   100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 22 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.792  0.134  0.878     90.684  4.84   0.0      4     101.85/    101.85
   2      0.012  0.154  0.547     88.170  4.01  33.2      2      96.78/     96.78
   3      0.746  0.134  0.763     87.971  4.22   5.6      2      98.06/     98.06
   #SITES = 22: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #17 of 106
   ----------------------------
   Ensemble helix_pdb Euler  66.88  34.65 143.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 30 sites over 67.5% of top
   30 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.820  0.251  0.301     97.748  4.54
   2      0.320  0.751  0.301     97.748  4.54
   3      0.787  0.333  0.310     96.288  4.29
   #Sites = 30: output truncated to 3 sites

   Top 30 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #17 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.318  0.747  0.298     86.393  4.25   0.0      4     96.078/    97.748
   2      0.430  0.333  0.315     86.325  4.05  13.8      6     94.863/    95.965
   3      0.333  0.303  0.079     84.537  4.13  18.2      4     95.368/    95.368
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #18 of 106
   ----------------------------
   Ensemble helix_pdb Euler 105.00  25.77 143.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 32 sites over 67.5% of top
   32 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.607  0.439  0.608     101.05  5.05
   2      0.107  0.939  0.608     101.05  5.05
   3      0.389  0.079  0.542      98.35  4.59
   #Sites = 32: output truncated to 3 sites

   Top 32 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #18 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.889  0.579  0.542     94.495  4.59   0.0      2     98.346/    98.346
   2      0.760  0.649  0.215     87.569  4.49  16.0      2     97.750/    97.750
   3      0.607  0.439  0.608     87.493  5.05  29.2      2    101.053/   101.053
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #19 of 106
   ----------------------------
   Ensemble helix_pdb Euler  41.80  24.60 152.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 32 sites over 67.5% of top
   32 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.423  0.877  0.989     100.09  4.96
   2      0.923  0.377  0.989     100.09  4.96
   3      0.839  0.130  0.281      99.45  4.86
   #Sites = 32: output truncated to 3 sites

   Top 32 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #19 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.339  0.630  0.281     91.914  4.86   0.0      2     99.449/    99.449
   2      0.531  0.853  0.752     88.243  4.03  14.4      4     94.442/    94.442
   3      0.923  0.377  0.989     88.098  4.96  19.5      2    100.088/   100.088
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #20 of 106
   ----------------------------
   Ensemble helix_pdb Euler 240.92  26.84 170.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 38 sites over 67.5% of top
   38 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.705  0.969  0.504     102.82  5.28
   2      0.205  0.469  0.504     102.82  5.28
   3      0.701  0.968  0.498     100.29  4.86
   #Sites = 38: output truncated to 3 sites

   Top 38 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #20 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.705  0.969  0.504     94.345  5.28   0.0      4     102.82/    102.82
   2      0.908  0.543  0.368     86.589  3.86  27.3      4      94.38/     94.52
   3      0.766  0.513  0.489     85.801  4.02  12.6      6      95.34/     99.35
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #21 of 106
   ----------------------------
   Ensemble helix_pdb Euler 136.29  40.23 158.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 22 sites over 67.5% of top
   22 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.425  0.226  0.251     97.558  4.77
   2      0.925  0.726  0.251     97.558  4.77
   3      0.702  0.345  0.446     97.160  4.70
   #Sites = 22: output truncated to 3 sites

   Top 22 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #21 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.202  0.845  0.446     89.425  4.70   0.0      2     97.160/    97.160
   2      0.409  0.417  0.316     89.277  4.33  27.2      2     94.964/    94.964
   3      0.425  0.226  0.251     85.316  4.77  28.0      2     97.558/    97.558
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #22 of 106
   ----------------------------
   Ensemble helix_pdb Euler 332.57  27.01 170.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 38 sites over 67.5% of top
   38 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.799  0.578  0.532     98.889  4.84
   2      0.299  0.078  0.532     98.889  4.84
   3      0.804  0.579  0.541     97.765  4.65
   #Sites = 38: output truncated to 3 sites

   Top 38 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #22 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 15 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.855  0.260  0.383     91.752  4.53   0.0      4     97.048/    97.048
   2      0.804  0.579  0.541     90.531  4.65  15.5      4     97.765/    98.889
   3      0.904  0.195  0.971     84.765  4.37  29.3      2     96.113/    96.113
   #SITES = 15: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #23 of 106
   ----------------------------
   Ensemble helix_pdb Euler 266.43  24.03 172.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 22 sites over 67.5% of top
   22 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.609  0.354  0.164     97.609  4.77
   2      0.109  0.854  0.164     97.609  4.77
   3      0.797  0.951  0.630     96.449  4.57
   #Sites = 22: output truncated to 3 sites

   Top 22 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #23 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.797  0.951  0.630     97.440  4.57   0.0      2     96.449/    96.449
   2      0.109  0.854  0.164     85.374  4.77  10.2      2     97.609/    97.609
   3      0.719  0.867  0.157     84.780  4.42  26.1      2     95.531/    95.531

   SET #1 of 8 TRIAL #24 of 106
   ----------------------------
   Ensemble helix_pdb Euler 179.38  35.69 151.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 28 sites over 67.5% of top
   28 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.674  0.930  0.327     99.374  4.85
   2      0.174  0.430  0.327     99.374  4.85
   3      0.729  0.943  0.447     98.115  4.64
   #Sites = 28: output truncated to 3 sites

   Top 28 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #24 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.746  0.960  0.884     85.153  4.37   0.0      2     96.478/    96.478
   2      0.548  0.839  0.837     81.902  4.39  16.9      2     96.605/    96.605
   3      0.674  0.930  0.327     81.728  4.85  31.4      2     99.374/    99.374
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #25 of 106
   ----------------------------
   Ensemble helix_pdb Euler  98.11  38.34 149.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.705  0.748  0.867     94.480  4.20
   2      0.205  0.248  0.867     94.480  4.20
   3      0.791  0.799  0.914     94.296  4.17
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #25 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.205  0.248  0.867     82.839  4.20   0.0      2     94.480/    94.480
   2      0.185  0.791  0.525     78.486  4.15  23.3      2     94.149/    94.149
   3      0.297  0.302  0.921     77.494  4.12   6.9      4     93.987/    94.296
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #26 of 106
   ----------------------------
   Ensemble helix_pdb Euler 114.54  26.45 142.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 30 sites over 67.5% of top
   30 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.748  0.662  0.217     98.674  4.75
   2      0.248  0.162  0.217     98.674  4.75
   3      0.423  0.053  0.126     98.363  4.69
   #Sites = 30: output truncated to 3 sites

   Top 30 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #26 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.377  0.095  0.541     92.880  4.46   0.0      4     96.957/    96.957
   2      0.748  0.662  0.217     89.859  4.75  26.6      4     98.674/    98.674
   3      0.423  0.053  0.126     85.074  4.69  16.9      4     98.363/    98.363
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #27 of 106
   ----------------------------
   Ensemble helix_pdb Euler  89.72  37.80 148.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.757  0.299  0.989     96.111  4.40
   2      0.257  0.799  0.989     96.111  4.40
   3      0.343  0.861  0.417     95.949  4.37
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #27 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.811  0.859  0.088     85.349  4.15   0.0      2     94.664/    94.664
   2      0.757  0.299  0.989     81.797  4.40  11.6      2     96.111/    96.111
   3      0.843  0.361  0.417     81.748  4.37  22.5      2     95.949/    95.949
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #28 of 106
   ----------------------------
   Ensemble helix_pdb Euler 238.45  34.59 163.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 52 sites over 67.5% of top
   52 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.651  0.636  0.234     100.63  4.92
   2      0.151  0.136  0.234     100.63  4.92
   3      0.732  0.518  0.599      99.54  4.74
   #Sites = 52: output truncated to 3 sites

   Top 52 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #28 of 106
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 18 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.721  0.686  0.790     87.448  4.67   0.0      2     99.122/    99.122
   2      0.651  0.636  0.234     87.123  4.92  31.5      4    100.628/   100.628
   3      0.232  0.018  0.599     85.072  4.74  28.8      2     99.542/    99.542
   #SITES = 18: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #29 of 106
   ----------------------------
   Ensemble helix_pdb Euler 290.39  33.10 166.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 44 sites over 67.5% of top
   44 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.705  0.220  0.135     99.348  4.68
   2      0.205  0.720  0.135     99.348  4.68
   3      0.751  0.185  0.248     98.916  4.61
   #Sites = 44: output truncated to 3 sites

   Top 44 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #29 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 13 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.705  0.220  0.135     84.825  4.68   0.0      4     99.348/    99.348
   2      0.505  0.092  0.941     83.292  4.24  14.4      4     96.698/    96.698
   3      0.758  0.196  0.255     82.180  4.35   5.8      4     97.352/    98.916
   #SITES = 13: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #30 of 106
   ----------------------------
   Ensemble helix_pdb Euler 125.04  28.98 150.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 124 sites over 67.5% of top
   124 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.754  0.054  0.437     102.66  4.80
   2      0.254  0.554  0.437     102.66  4.80
   3      0.273  0.600  0.874     102.53  4.78
   #Sites = 124: output truncated to 3 sites

   Top 124 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #30 of 106
   0%     100%
   |=======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 12 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.273  0.600  0.874     89.410  4.78   0.0      4     102.53/    102.53
   2      0.798  0.378  0.932     85.747  4.21  46.3      4      99.01/    101.77
   3      0.494  0.618  0.545     83.089  3.98  33.3      4      97.58/     97.58
   #SITES = 12: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #31 of 106
   ----------------------------
   Ensemble helix_pdb Euler 231.17  27.28 171.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 24 sites over 67.5% of top
   24 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.741  0.499  0.475     100.32  4.88
   2      0.241  0.999  0.475     100.32  4.88
   3      0.695  0.975  0.502      99.82  4.79
   #Sites = 24: output truncated to 3 sites

   Top 24 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #31 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.695  0.975  0.502     90.372  4.79   0.0      4     99.820/    99.820
   2      0.782  0.044  0.721     87.135  4.02  10.8      2     95.348/    95.348
   3      0.735  0.010  0.612     83.305  4.32   5.5      2     97.090/    97.090
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #32 of 106
   ----------------------------
   Ensemble helix_pdb Euler  56.35  20.61 156.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.415  0.012  0.995     95.937  4.49
   2      0.915  0.512  0.995     95.937  4.49
   3      0.414  0.523  0.165     94.906  4.31
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #32 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.915  0.512  0.995     86.912  4.49   0.0      2     95.937/    95.937
   2      0.823  0.599  0.313     83.326  4.21  26.6      2     94.321/    94.321
   3      0.004  0.495  0.435     81.280  4.14  23.5      2     93.904/    93.904
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #33 of 106
   ----------------------------
   Ensemble helix_pdb Euler  72.90  36.76 146.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.821  0.812  0.086     98.143  4.67
   2      0.321  0.312  0.086     98.143  4.67
   3      0.816  0.809  0.078     96.573  4.39
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #33 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.821  0.812  0.086     85.027  4.67   0.0      4     98.143/    98.143
   2      0.226  0.287  0.863     80.330  4.07  13.3      2     94.703/    94.703
   3      0.718  0.229  0.859     78.339  4.09  14.8      2     94.828/    94.828

   SET #1 of 8 TRIAL #34 of 106
   ----------------------------
   Ensemble helix_pdb Euler 281.57  33.45 166.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 28 sites over 67.5% of top
   28 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.697  0.207  0.134     100.79  5.01
   2      0.197  0.707  0.134     100.79  5.01
   3      0.744  0.185  0.246      98.28  4.59
   #Sites = 28: output truncated to 3 sites

   Top 28 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #34 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.197  0.707  0.134     89.221  5.01   0.0      2     100.79/    100.79
   2      0.744  0.185  0.246     81.335  4.59  30.2      2      98.28/     98.28
   3      0.322  0.997  0.725     80.372  4.20  32.1      2      95.88/     95.88
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #35 of 106
   ----------------------------
   Ensemble helix_pdb Euler 114.47  38.85 151.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.700  0.783  0.868     98.135  5.13
   2      0.200  0.283  0.868     98.135  5.13
   3      0.731  0.307  0.194     94.317  4.48
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #35 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.700  0.783  0.868     93.528  5.13   0.0      4     98.135/    98.135
   2      0.645  0.670  0.365     86.990  4.37  25.1      2     93.654/    93.654
   3      0.759  0.433  0.549     84.357  4.37  25.5      2     93.694/    93.694

   SET #1 of 8 TRIAL #36 of 106
   ----------------------------
   Ensemble helix_pdb Euler 243.79  38.08 168.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 105.37 (TFZ=5.2)
   Current Top (ML) Packing Translation Function LLG = 97.91 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.502  0.078  0.909     93.983  4.52
   2      0.002  0.578  0.909     93.983  4.52
   3      0.719  0.679  0.350     93.078  4.36
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #36 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.502  0.078  0.909     83.198  4.52   0.0      2     93.983/    93.983
   2      0.719  0.679  0.350     80.151  4.36  18.5      2     93.078/    93.078

   SET #1 of 8 TRIAL #37 of 106
   ----------------------------
   Ensemble helix_pdb Euler   1.14  23.98 157.88 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      9658 peaks
      2 peaks over 105.368 checked for packing
      Translation peak 1 first to be kept
      Done


   New Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2) at Trial #37


   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.822  0.199  0.548     106.34  6.16
   2      0.322  0.699  0.548     106.34  6.16
   3      0.819  0.199  0.543     100.36  5.19
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #37 of 106
   0% 100%
   |==| DONE

   Packing LLG Translations: pass 1 of 1...
      12 peaks
      4 peaks over 97.9077 checked for packing
      Translation peak 1 first to be kept
      Done
      Exit: found a peak that packs


   New Top (ML) Translation Function LLG = 101.28 (TFZ=6.2) at Trial #37

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.322  0.699  0.548     101.28  6.16   0.0      4     106.34/    106.34

   SET #1 of 8 TRIAL #38 of 106
   ----------------------------
   Ensemble helix_pdb Euler 133.57  27.81 141.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.28 (TFZ=6.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.404  0.066  0.133     95.829  4.50
   2      0.904  0.566  0.133     95.829  4.50
   3      0.311  0.926  0.940     95.069  4.37
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #38 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.242  0.669  0.771     84.039  4.35   0.0      2     94.971/    94.971
   2      0.811  0.426  0.940     82.016  4.37  41.1      2     95.069/    95.069
   3      0.404  0.066  0.133     81.840  4.50  19.9      4     95.829/    95.829
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #39 of 106
   ----------------------------
   Ensemble helix_pdb Euler 350.92  26.21 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.28 (TFZ=6.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 22 sites over 67.5% of top
   22 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.806  0.171  0.539     100.25  5.04
   2      0.306  0.671  0.539     100.25  5.04
   3      0.802  0.168  0.532      97.18  4.54
   #Sites = 22: output truncated to 3 sites

   Top 22 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #39 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.306  0.671  0.539     88.547  5.04   0.0      4     100.25/    100.25
   2      0.362  0.736  0.399     85.214  4.51  13.0      2      96.97/     96.97
   3      0.112  0.646  0.083     84.533  4.21  22.1      2      95.16/     95.16
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #40 of 106
   ----------------------------
   Ensemble helix_pdb Euler  86.17  34.18 153.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.28 (TFZ=6.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 52 sites over 67.5% of top
   52 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.784  0.894  0.411     102.90  4.96
   2      0.284  0.394  0.411     102.90  4.96
   3      0.758  0.774  0.356     101.58  4.74
   #Sites = 52: output truncated to 3 sites

   Top 52 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #40 of 106
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 17 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.784  0.894  0.411     82.805  4.96   0.0      2     102.90/    102.90
   2      0.758  0.774  0.356     82.498  4.74   3.9      2     101.58/    101.58
   3      0.877  0.915  0.649     80.353  4.19  11.6      2      98.20/     98.20
   #SITES = 17: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #41 of 106
   ----------------------------
   Ensemble helix_pdb Euler 286.88  23.04 169.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.28 (TFZ=6.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.820  0.977  0.645     97.968  5.22
   2      0.320  0.477  0.645     97.968  5.22
   3      0.431  0.182  0.895     95.462  4.80
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #41 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.820  0.977  0.645     98.479  5.22   0.0      2     97.968/    97.968
   2      0.819  0.476  0.506     87.182  4.79  14.8      2     95.359/    95.359

   SET #1 of 8 TRIAL #42 of 106
   ----------------------------
   Ensemble helix_pdb Euler 160.97  29.98 141.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.28 (TFZ=6.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 36 sites over 67.5% of top
   36 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.258  0.602  0.889     101.01  5.08
   2      0.758  0.102  0.889     101.01  5.08
   3      0.280  0.542  0.566      99.21  4.77
   #Sites = 36: output truncated to 3 sites

   Top 36 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #42 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 13 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.258  0.602  0.889     89.961  5.08   0.0      4     101.01/    101.01
   2      0.210  0.624  0.782     87.768  4.58   5.2      2      98.09/     98.09
   3      0.415  0.992  0.248     84.626  4.60  19.7      2      98.19/     98.19
   #SITES = 13: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #43 of 106
   ----------------------------
   Ensemble helix_pdb Euler 170.10  30.70 141.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.28 (TFZ=6.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 24 sites over 67.5% of top
   24 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.248  0.579  0.890     101.58  5.15
   2      0.748  0.079  0.890     101.58  5.15
   3      0.253  0.571  0.895      99.84  4.85
   #Sites = 24: output truncated to 3 sites

   Top 24 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #43 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.748  0.079  0.890     90.571  5.15   0.0      4     101.58/    101.58
   2      0.317  0.003  0.022     88.253  4.84  10.7      4      99.75/     99.75
   3      0.133  0.561  0.686     81.575  4.25  40.4      2      96.31/     96.31
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #44 of 106
   ----------------------------
   Ensemble helix_pdb Euler 351.88  21.68 148.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.28 (TFZ=6.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #45 of 106
   ----------------------------
   Ensemble helix_pdb Euler 226.10  28.67 167.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.28 (TFZ=6.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 30 sites over 67.5% of top
   30 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.720  0.565  0.468     102.17  5.11
   2      0.220  0.065  0.468     102.17  5.11
   3      0.718  0.070  0.603     100.90  4.90
   #Sites = 30: output truncated to 3 sites

   Top 30 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #45 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.218  0.570  0.603     86.311  4.90   0.0      2     100.90/    100.90
   2      0.269  0.604  0.716     85.559  4.22   5.6      4      96.89/     97.76
   3      0.748  0.035  0.164     85.137  4.46  17.1      4      98.30/     98.30
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #46 of 106
   ----------------------------
   Ensemble helix_pdb Euler 331.02  25.47 151.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.28 (TFZ=6.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 20 sites over 67.5% of top
   20 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.342  0.040  0.514     98.314  4.77
   2      0.842  0.540  0.514     98.314  4.77
   3      0.791  0.490  0.398     97.900  4.70
   #Sites = 20: output truncated to 3 sites

   Top 20 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #46 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.229  0.488  0.414     84.851  4.56   0.0      2     97.067/    97.067
   2      0.806  0.497  0.069     81.052  4.22  28.7      2     94.987/    94.987
   3      0.842  0.540  0.514     78.346  4.77  10.2      4     98.314/    98.314
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #47 of 106
   ----------------------------
   Ensemble helix_pdb Euler 316.81  32.12 167.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.28 (TFZ=6.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 32 sites over 67.5% of top
   32 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.321  0.695  0.369     100.67  4.99
   2      0.821  0.195  0.369     100.67  4.99
   3      0.365  0.657  0.953      99.55  4.80
   #Sites = 32: output truncated to 3 sites

   Top 32 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #47 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.821  0.195  0.369     88.178  4.99   0.0      2     100.67/    100.67
   2      0.273  0.748  0.254     85.309  4.06  32.1      2      95.12/     95.12
   3      0.865  0.157  0.953     84.137  4.80  29.3      4      99.55/     99.55
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #48 of 106
   ----------------------------
   Ensemble helix_pdb Euler  10.68  27.05 148.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.28 (TFZ=6.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 20 sites over 67.5% of top
   20 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.809  0.158  0.542     100.16  5.13
   2      0.309  0.658  0.542     100.16  5.13
   3      0.805  0.158  0.535      99.47  5.01
   #Sites = 20: output truncated to 3 sites

   Top 20 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #48 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.809  0.158  0.542     89.573  5.13   0.0      4     100.16/    100.16
   2      0.386  0.172  0.192     84.834  4.54  30.0      2      96.62/     96.62
   3      0.731  0.090  0.319     83.137  4.24  11.1      2      94.79/     94.79
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #49 of 106
   ----------------------------
   Ensemble helix_pdb Euler 168.78  39.95 163.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.28 (TFZ=6.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.686  0.280  0.463     95.834  4.83
   2      0.186  0.780  0.463     95.834  4.83
   3      0.745  0.855  0.439     94.980  4.68
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #49 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.686  0.280  0.463     91.794  4.83   0.0      2     95.834/    95.834
   2      0.249  0.299  0.118     85.656  4.60  23.2      2     94.488/    94.488
   3      0.686  0.771  0.320     84.728  4.61  14.8      2     94.569/    94.569
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #50 of 106
   ----------------------------
   Ensemble helix_pdb Euler 276.54  23.49 171.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.28 (TFZ=6.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.808  0.962  0.638     98.434  5.42
   2      0.308  0.462  0.638     98.434  5.42

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #50 of 106
   0% 100%
   |==| DONE

   Packing LLG Translations: pass 1 of 1...
      2 peaks
      2 peaks over 101.276 checked for packing
      Translation peak 1 first to be kept
      Done
      Exit: found a peak that packs


   New Top (ML) Translation Function LLG = 101.97 (TFZ=5.4) at Trial #50

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.808  0.962  0.638     101.97  5.42   0.0      2     98.434/    98.434

   SET #1 of 8 TRIAL #51 of 106
   ----------------------------
   Ensemble helix_pdb Euler 246.31  25.15 174.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.697  0.857  0.157     95.705  4.85
   2      0.197  0.357  0.157     95.705  4.85
   3      0.724  0.925  0.513     95.198  4.76
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #51 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.724  0.925  0.513     91.508  4.76   0.0      2     95.198/    95.198
   2      0.197  0.357  0.157     86.858  4.85  20.0      2     95.705/    95.705
   3      0.583  0.897  0.164     85.806  4.53  17.0      2     93.854/    93.854

   SET #1 of 8 TRIAL #52 of 106
   ----------------------------
   Ensemble helix_pdb Euler 322.82  28.56 160.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 26 sites over 67.5% of top
   26 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.557  0.051  0.441     99.810  4.81
   2      0.057  0.551  0.441     99.810  4.81
   3      0.817  0.591  0.499     99.203  4.71
   #Sites = 26: output truncated to 3 sites

   Top 26 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #52 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.727  0.087  0.411     90.070  4.46   0.0      4     97.636/    97.636
   2      0.817  0.591  0.499     80.153  4.71  13.4      2     99.203/    99.203
   3      0.329  0.654  0.382     78.877  3.98  19.8      2     94.602/    94.602

   SET #1 of 8 TRIAL #53 of 106
   ----------------------------
   Ensemble helix_pdb Euler 168.90  35.29 142.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #54 of 106
   ----------------------------
   Ensemble helix_pdb Euler  94.86  34.47 153.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 28 sites over 67.5% of top
   28 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.776  0.909  0.412     99.448  4.65
   2      0.276  0.409  0.412     99.448  4.65
   3      0.326  0.406  0.532     98.862  4.56
   #Sites = 28: output truncated to 3 sites

   Top 28 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #54 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.339  0.471  0.200     84.043  4.39   0.0      2     97.815/    97.815
   2      0.738  0.390  0.986     81.623  4.20   9.2      4     96.700/    96.748
   3      0.826  0.906  0.532     80.467  4.56  31.0      4     98.862/    98.862
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #55 of 106
   ----------------------------
   Ensemble helix_pdb Euler 248.33  29.35 162.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 30 sites over 67.5% of top
   30 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.285  0.051  0.591     100.81  5.03
   2      0.785  0.551  0.591     100.81  5.03
   3      0.704  0.538  0.365      99.03  4.75
   #Sites = 30: output truncated to 3 sites

   Top 30 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #55 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.185  0.557  0.495     85.871  4.28   0.0      4     96.072/    96.072
   2      0.744  0.127  0.357     83.563  4.28  12.5      2     96.082/    96.082
   3      0.785  0.551  0.591     81.169  5.03   7.6      2    100.811/   100.811
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #56 of 106
   ----------------------------
   Ensemble helix_pdb Euler 188.54  36.06 151.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.723  0.903  0.449     95.590  4.79
   2      0.223  0.403  0.449     95.590  4.79
   3      0.490  0.460  0.506     94.810  4.66
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #56 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.777  0.899  0.566     80.086  4.60   0.0      2     94.451/    94.451
   2      0.490  0.460  0.506     75.308  4.66  24.3      2     94.810/    94.810
   3      0.723  0.903  0.449     72.648  4.79   5.7      2     95.590/    95.590

   SET #1 of 8 TRIAL #57 of 106
   ----------------------------
   Ensemble helix_pdb Euler 296.42  20.58 159.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.811  0.919  0.647     100.70  5.83
   2      0.311  0.419  0.647     100.70  5.83
   3      0.807  0.919  0.640      96.30  5.07
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #57 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.311  0.419  0.647     96.333  5.83   0.0      4     100.70/    100.70

   SET #1 of 8 TRIAL #58 of 106
   ----------------------------
   Ensemble helix_pdb Euler  27.07  27.83 147.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 26 sites over 67.5% of top
   26 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.369  0.214  0.520     102.81  5.95
   2      0.869  0.714  0.520     102.81  5.95
   3      0.845  0.582  0.465      99.64  5.42
   #Sites = 26: output truncated to 3 sites

   Top 26 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #58 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.893  0.749  0.194     88.552  4.41   0.0      2     93.505/    93.505
   2      0.312  0.728  0.543     84.053  4.45  29.7      2     93.755/    93.755
   3      0.345  0.082  0.465     83.118  5.42  33.3      2     99.637/    99.637
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #59 of 106
   ----------------------------
   Ensemble helix_pdb Euler 219.01  39.25 165.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.301  0.693  0.916     94.815  4.90
   2      0.801  0.193  0.916     94.815  4.90
   3      0.296  0.697  0.907     94.065  4.77
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #59 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.801  0.193  0.916     85.668  4.90   0.0      4     94.815/    94.815

   SET #1 of 8 TRIAL #60 of 106
   ----------------------------
   Ensemble helix_pdb Euler 232.62  37.51 171.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #61 of 106
   ----------------------------
   Ensemble helix_pdb Euler 152.55  30.04 150.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 44 sites over 67.5% of top
   44 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.248  0.547  0.882     100.75  4.87
   2      0.748  0.047  0.882     100.75  4.87
   3      0.264  0.496  0.562      99.68  4.70
   #Sites = 44: output truncated to 3 sites

   Top 44 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #61 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.621  0.422  0.906     88.501  4.24   0.0      4     96.872/    96.872
   2      0.248  0.547  0.882     84.279  4.87  33.6      4    100.750/   100.750
   3      0.172  0.933  0.013     83.455  3.99  20.0      4     95.322/    95.919
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #62 of 106
   ----------------------------
   Ensemble helix_pdb Euler  30.36  24.91 165.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.451  0.433  0.759     97.283  4.85
   2      0.951  0.933  0.759     97.283  4.85
   3      0.457  0.436  0.766     96.785  4.77
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #62 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.311  0.998  0.290     86.335  4.54   0.0      4     95.480/    95.480
   2      0.951  0.933  0.759     83.419  4.85  22.3      4     97.283/    97.283
   3      0.170  0.877  0.487     78.976  4.70  23.4      4     96.394/    96.394
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #63 of 106
   ----------------------------
   Ensemble helix_pdb Euler 285.32  35.80 173.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #64 of 106
   ----------------------------
   Ensemble helix_pdb Euler  29.93  26.47 156.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.413  0.837  0.981     98.507  5.26
   2      0.913  0.337  0.981     98.507  5.26
   3      0.826  0.084  0.267     93.626  4.47
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #64 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.913  0.337  0.981     88.061  5.26   0.0      2     98.507/    98.507
   2      0.826  0.084  0.267     83.454  4.47  24.9      4     93.626/    93.626
   3      0.871  0.319  0.874     76.393  4.46   5.2      2     93.613/    93.613

   SET #1 of 8 TRIAL #65 of 106
   ----------------------------
   Ensemble helix_pdb Euler 242.62  48.33 196.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #66 of 106
   ----------------------------
   Ensemble helix_pdb Euler 302.48  34.53 174.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #67 of 106
   ----------------------------
   Ensemble helix_pdb Euler 204.20  35.14 161.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.721  0.733  0.455     98.244  5.32
   2      0.221  0.233  0.455     98.244  5.32
   3      0.715  0.732  0.446     94.714  4.75
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #67 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.721  0.733  0.455     81.964  5.32   0.0      4     98.244/    98.244
   2      0.777  0.683  0.253     81.890  4.61  16.6      2     93.826/    93.826
   3      0.270  0.246  0.565     75.251  4.53  11.7      2     93.318/    93.318

   SET #1 of 8 TRIAL #68 of 106
   ----------------------------
   Ensemble helix_pdb Euler 260.28  37.31 170.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #69 of 106
   ----------------------------
   Ensemble helix_pdb Euler 163.57  39.98 158.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.689  0.847  0.320     93.429  4.87
   2      0.189  0.347  0.320     93.429  4.87

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #69 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.689  0.847  0.320     84.791  4.87   0.0      2     93.429/    93.429

   SET #1 of 8 TRIAL #70 of 106
   ----------------------------
   Ensemble helix_pdb Euler 221.27  34.97 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.730  0.678  0.458     97.328  5.15
   2      0.230  0.178  0.458     97.328  5.15
   3      0.283  0.181  0.576     94.309  4.66
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #70 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.783  0.681  0.576     74.939  4.66   0.0      4     94.309/    94.309
   2      0.730  0.678  0.458     74.147  5.15   5.7      2     97.328/    97.328
   3      0.729  0.777  0.460     72.263  4.55   6.1      2     93.649/    93.649

   SET #1 of 8 TRIAL #71 of 106
   ----------------------------
   Ensemble helix_pdb Euler 217.47  27.18 176.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.276  0.534  0.724     96.626  5.06
   2      0.776  0.034  0.724     96.626  5.06
   3      0.261  0.047  0.149     94.912  4.75
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #71 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.776  0.034  0.724     92.574  5.06   0.0      2     96.626/    96.626
   2      0.761  0.547  0.149     88.260  4.75  30.2      2     94.912/    94.912

   SET #1 of 8 TRIAL #72 of 106
   ----------------------------
   Ensemble helix_pdb Euler 155.42  39.96 157.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.659  0.855  0.207     94.563  5.03
   2      0.159  0.355  0.207     94.563  5.03

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #72 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.159  0.355  0.207     85.596  5.03   0.0      2     94.563/    94.563

   SET #1 of 8 TRIAL #73 of 106
   ----------------------------
   Ensemble helix_pdb Euler 266.84  29.07 162.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 22 sites over 67.5% of top
   22 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.274  0.027  0.483     100.17  5.19
   2      0.774  0.527  0.483     100.17  5.19
   3      0.272  0.029  0.482      98.52  4.93
   #Sites = 22: output truncated to 3 sites

   Top 22 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #73 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.208  0.521  0.503     87.154  4.60   0.0      6     96.490/   100.172
   2      0.703  0.524  0.367     79.356  4.60   6.9      2     96.520/    96.520
   3      0.719  0.523  0.366     78.389  4.85   6.5      4     98.066/    98.066
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #74 of 106
   ----------------------------
   Ensemble helix_pdb Euler 248.54  40.68 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.667  0.338  0.116     93.857  5.07
   2      0.167  0.838  0.116     93.857  5.07

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #74 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.667  0.338  0.116     85.321  5.07   0.0      2     93.857/    93.857

   SET #1 of 8 TRIAL #75 of 106
   ----------------------------
   Ensemble helix_pdb Euler 335.56  60.15 153.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 101.97 (TFZ=5.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.227  0.204  0.964     103.33  6.61
   2      0.727  0.704  0.964     103.33  6.61
   3      0.224  0.207  0.961     100.42  6.09
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #75 of 106
   0% 100%
   |==| DONE

   Packing LLG Translations: pass 1 of 1...
      8 peaks
      4 peaks over 101.965 checked for packing
      Translation peak 1 first to be kept
      Done
      Exit: found a peak that packs


   New Top (ML) Translation Function LLG = 104.26 (TFZ=6.6) at Trial #75

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.227  0.204  0.964     104.26  6.61   0.0      6     103.33/    103.33
   2      0.657  0.742  0.865      89.85  4.84  45.1      2      93.47/     93.47

   SET #1 of 8 TRIAL #76 of 106
   ----------------------------
   Ensemble helix_pdb Euler 174.84  35.22 168.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.234  0.229  0.115     95.125  4.82
   2      0.734  0.729  0.115     95.125  4.82

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #76 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.734  0.729  0.115     85.731  4.82   0.0      2     95.125/    95.125

   SET #1 of 8 TRIAL #77 of 106
   ----------------------------
   Ensemble helix_pdb Euler 165.48  35.57 167.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.235  0.278  0.111     93.964  4.54
   2      0.735  0.778  0.111     93.964  4.54
   3      0.665  0.256  0.463     93.826  4.52
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #77 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.665  0.256  0.463     85.006  4.52   0.0      4     93.826/    93.826
   2      0.735  0.778  0.111     83.805  4.54  29.3      2     93.964/    93.964
   3      0.899  0.633  0.273     77.062  4.49  32.1      2     93.628/    93.628

   SET #1 of 8 TRIAL #78 of 106
   ----------------------------
   Ensemble helix_pdb Euler  10.94  21.02 165.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #79 of 106
   ----------------------------
   Ensemble helix_pdb Euler  60.80  26.59 129.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #80 of 106
   ----------------------------
   Ensemble helix_pdb Euler 352.12  21.60 169.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #81 of 106
   ----------------------------
   Ensemble helix_pdb Euler 170.79  30.76 150.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.257  0.462  0.567     97.225  4.69
   2      0.757  0.962  0.567     97.225  4.69
   3      0.233  0.490  0.884     96.683  4.60
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #81 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.660  0.366  0.025     83.246  4.19   0.0      2     94.113/    94.113
   2      0.733  0.990  0.884     81.104  4.60  16.9      4     96.683/    96.683
   3      0.153  0.935  0.459     78.514  4.21  27.3      2     94.275/    94.275
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #82 of 106
   ----------------------------
   Ensemble helix_pdb Euler  84.45  21.19 136.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #83 of 106
   ----------------------------
   Ensemble helix_pdb Euler  55.85  49.43 194.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.599  0.705  0.997     95.376  5.58
   2      0.099  0.205  0.997     95.376  5.58

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #83 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.099  0.205  0.997     93.632  5.58   0.0      2     95.376/    95.376

   SET #1 of 8 TRIAL #84 of 106
   ----------------------------
   Ensemble helix_pdb Euler 140.08  44.06 153.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #85 of 106
   ----------------------------
   Ensemble helix_pdb Euler 341.56  28.50 159.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.798  0.639  0.392     95.267  4.67
   2      0.298  0.139  0.392     95.267  4.67

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #85 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.798  0.639  0.392     71.860  4.67   0.0      2     95.267/    95.267

   SET #1 of 8 TRIAL #86 of 106
   ----------------------------
   Ensemble helix_pdb Euler  79.26  28.94 129.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.630  0.925  0.449     92.116  5.00
   2      0.130  0.425  0.449     92.116  5.00

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #86 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.130  0.425  0.449     79.868  5.00   0.0      2     92.116/    92.116

   SET #1 of 8 TRIAL #87 of 106
   ----------------------------
   Ensemble helix_pdb Euler 183.39  40.20 156.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #88 of 106
   ----------------------------
   Ensemble helix_pdb Euler 131.62  36.65 164.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.657  0.282  0.255     94.569  4.67
   2      0.157  0.782  0.255     94.569  4.67

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #88 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.657  0.282  0.255     72.595  4.67   0.0      2     94.569/    94.569

   SET #1 of 8 TRIAL #89 of 106
   ----------------------------
   Ensemble helix_pdb Euler 195.65  35.27 161.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.667  0.251  0.979     93.185  4.65
   2      0.167  0.751  0.979     93.185  4.65
   3      0.721  0.764  0.452     93.008  4.63
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #89 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.667  0.251  0.979     79.430  4.65   0.0      2     93.185/    93.185
   2      0.721  0.764  0.452     75.456  4.63  29.5      2     93.008/    93.008

   SET #1 of 8 TRIAL #90 of 106
   ----------------------------
   Ensemble helix_pdb Euler  42.56  32.81 151.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.543  0.363  0.523     96.228  4.55
   2      0.043  0.863  0.523     96.228  4.55
   3      0.356  0.306  0.406     95.997  4.52
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #90 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.043  0.863  0.523     86.030  4.55   0.0      2     96.228/    96.228
   2      0.311  0.306  0.067     77.696  4.22  28.5      2     94.234/    94.234
   3      0.856  0.806  0.406     74.656  4.52   7.4      2     95.997/    95.997

   SET #1 of 8 TRIAL #91 of 106
   ----------------------------
   Ensemble helix_pdb Euler  12.48  21.81 155.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.835  0.762  0.416     92.154  4.85
   2      0.335  0.262  0.416     92.154  4.85

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #91 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.835  0.762  0.416     83.083  4.85   0.0      2     92.154/    92.154

   SET #1 of 8 TRIAL #92 of 106
   ----------------------------
   Ensemble helix_pdb Euler 276.77  36.46 172.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #93 of 106
   ----------------------------
   Ensemble helix_pdb Euler  84.53  31.13 133.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.627  0.398  0.996     94.725  5.38
   2      0.127  0.898  0.996     94.725  5.38
   3      0.799  0.891  0.320     93.807  5.22
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #93 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.799  0.939  0.320     79.545  5.20   0.0      4     93.698/    93.807
   2      0.127  0.898  0.996     75.029  5.38  25.0      2     94.725/    94.725
   3      0.628  0.910  0.995     73.504  5.01  15.9      2     92.539/    92.539

   SET #1 of 8 TRIAL #94 of 106
   ----------------------------
   Ensemble helix_pdb Euler   9.68  28.52 158.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.351  0.733  0.854     96.211  4.81
   2      0.851  0.233  0.854     96.211  4.81
   3      0.345  0.734  0.847     95.199  4.66
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #94 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.851  0.233  0.854     83.405  4.81   0.0      4     96.211/    96.211
   2      0.392  0.262  0.628     76.068  4.48  23.5      2     94.057/    94.057
   3      0.665  0.631  0.903     74.964  4.49  21.5      2     94.163/    94.163

   SET #1 of 8 TRIAL #95 of 106
   ----------------------------
   Ensemble helix_pdb Euler 232.61  52.18 186.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #96 of 106
   ----------------------------
   Ensemble helix_pdb Euler 108.16  30.03 138.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #97 of 106
   ----------------------------
   Ensemble helix_pdb Euler  31.28  27.01 139.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #98 of 106
   ----------------------------
   Ensemble helix_pdb Euler  19.05  28.56 158.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.350  0.773  0.855     95.717  4.76
   2      0.850  0.273  0.855     95.717  4.76
   3      0.344  0.773  0.847     94.947  4.64
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #98 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.350  0.773  0.855     82.747  4.76   0.0      4     95.717/    95.717
   2      0.895  0.295  0.964     75.299  4.44  42.8      2     93.685/    93.685
   3      0.917  0.755  0.521     74.757  4.47  20.5      2     93.884/    93.884

   SET #1 of 8 TRIAL #99 of 106
   ----------------------------
   Ensemble helix_pdb Euler 264.73  40.37 165.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #100 of 106
   -----------------------------
   Ensemble helix_pdb Euler 194.30  50.74 192.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #101 of 106
   -----------------------------
   Ensemble helix_pdb Euler 139.50  30.14 154.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 36 sites over 67.5% of top
   36 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.706  0.899  0.378     99.260  4.92
   2      0.206  0.399  0.378     99.260  4.92
   3      0.712  0.894  0.387     97.616  4.67
   #Sites = 36: output truncated to 3 sites

   Top 36 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #101 of 106
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.174  0.907  0.011     83.071  4.16   0.0      2     94.357/    94.357
   2      0.775  0.335  0.934     79.734  4.13  10.8      2     94.191/    94.191
   3      0.712  0.894  0.387     77.045  4.67  32.5      4     97.616/    99.260
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #102 of 106
   -----------------------------
   Ensemble helix_pdb Euler  99.11  29.16 138.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #103 of 106
   -----------------------------
   Ensemble helix_pdb Euler 227.28  54.30 181.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #104 of 106
   -----------------------------
   Ensemble helix_pdb Euler 224.30  30.75 179.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.723  0.978  0.502     95.001  5.51
   2      0.223  0.478  0.502     95.001  5.51

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #104 of 106
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.223  0.478  0.502     91.885  5.51   0.0      2     95.001/    95.001

   SET #1 of 8 TRIAL #105 of 106
   -----------------------------
   Ensemble helix_pdb Euler  47.30  26.90 133.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #106 of 106
   -----------------------------
   Ensemble helix_pdb Euler 206.23  45.28 158.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring


----------------------------
TRANSLATION FUNCTION #2 OF 8
----------------------------


   SOLU SET  RFZ=4.7 TFZ=3.8 PAK=0 LLG=59
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER   39.7   32.0  181.3 FRAC -0.20  0.03 -0.08 BFAC -10.38
   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   88.6 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   88.5 RFZ  4.00

   SOLU TRIAL ENSEMBLE helix_pdb EULER   51.869   24.857  151.761 RF   88.1 RFZ  3.96

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   87.6 RFZ  3.90

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.535   25.925  148.923 RF   87.2 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   86.9 RFZ  3.83

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   86.8 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   86.7 RFZ  3.81

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   86.6 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.424   24.033  161.846 RF   86.4 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.201   26.601  163.128 RF   86.4 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   86.2 RFZ  3.76

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   86.2 RFZ  3.76

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   86.1 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   86.0 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   85.5 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   85.5 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   85.5 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   85.3 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   85.3 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   85.2 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   85.1 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   85.0 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   84.9 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   84.8 RFZ  3.61

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   84.8 RFZ  3.61

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   84.7 RFZ  3.61

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   84.7 RFZ  3.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   84.7 RFZ  3.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   84.7 RFZ  3.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   84.5 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   84.5 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   84.5 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   84.2 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   84.1 RFZ  3.54

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   84.0 RFZ  3.53

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   83.9 RFZ  3.52

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   83.9 RFZ  3.52

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   83.8 RFZ  3.51

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   83.8 RFZ  3.50

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   83.7 RFZ  3.50

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   83.5 RFZ  3.48

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   83.5 RFZ  3.48

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   83.4 RFZ  3.47

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   83.3 RFZ  3.46

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   83.1 RFZ  3.43

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   82.8 RFZ  3.41

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   82.6 RFZ  3.38

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   82.5 RFZ  3.38

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   82.4 RFZ  3.37

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   82.4 RFZ  3.36

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   82.4 RFZ  3.36

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   82.3 RFZ  3.35

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   82.3 RFZ  3.35

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   82.3 RFZ  3.35

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   82.1 RFZ  3.33

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   82.1 RFZ  3.33

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   82.1 RFZ  3.33

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   82.1 RFZ  3.33

   SOLU TRIAL ENSEMBLE helix_pdb EULER   29.925   26.470  156.022 RF   81.6 RFZ  3.27

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   81.5 RFZ  3.27

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   81.5 RFZ  3.27

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.619   48.334  196.267 RF   81.5 RFZ  3.27

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   81.5 RFZ  3.26

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   81.4 RFZ  3.26

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   81.4 RFZ  3.25

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   81.3 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   81.3 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   81.3 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   81.3 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.203   35.142  161.594 RF   81.2 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   81.2 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   81.2 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   80.9 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  131.617   36.655  164.234 RF   80.7 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   80.7 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   80.7 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.087   47.928  196.726 RF   80.7 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.853   49.425  194.168 RF   80.6 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   80.6 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.844   29.075  162.258 RF   80.4 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   80.3 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   74.017   36.083  212.756 RF   80.2 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   80.2 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   80.1 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.649   35.266  161.001 RF   80.1 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.453   21.186  136.283 RF   79.9 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   79.9 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.771   36.460  172.722 RF   79.9 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   82.174   32.079  212.797 RF   79.9 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.561   28.504  159.572 RF   79.9 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.791   30.761  150.363 RF   79.8 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   38.861   16.401  156.062 RF   79.7 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.078   44.065  153.168 RF   79.7 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  139.502   30.142  154.811 RF   79.6 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.302   50.743  192.838 RF   79.6 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.732   40.369  165.315 RF   79.6 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.047   28.565  158.082 RF   79.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.388   40.196  156.612 RF   79.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.279   27.013  139.028 RF   79.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.614   52.183  186.085 RF   79.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.683   28.520  158.446 RF   79.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.227   45.283  158.453 RF   79.4 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   79.4 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.275   54.297  181.356 RF   79.3 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  147.239   28.399  136.646 RF   79.3 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   21.857   46.476  196.197 RF   79.3 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.791   32.132  146.853 RF   79.3 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.398   57.665  177.443 RF   79.2 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   12.483   21.810  155.358 RF   79.2 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   49.289   33.293  141.902 RF   79.2 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.262   28.939  129.773 RF   79.2 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   88.596   14.547  113.772 RF   79.1 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.306   29.978  154.977 RF   79.1 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  137.940   55.679  141.632 RF   79.1 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.743   34.377  143.791 RF   79.1 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   79.0 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.560   45.317  156.800 RF   79.0 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  210.850   39.450  164.662 RF   79.0 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  353.579   30.665  168.047 RF   78.9 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  108.160   30.031  138.942 RF   78.9 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.387   20.578  161.440 RF   78.9 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.105   29.162  138.969 RF   78.9 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  193.405   46.199  192.801 RF   78.9 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.581   30.297  164.048 RF   78.8 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   78.8 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.350   24.444   96.617 RF   78.8 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.303   26.896  133.601 RF   78.7 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.110   30.878  154.447 RF   78.7 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.257   30.048  168.017 RF   78.5 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.674   29.315  136.354 RF   78.5 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  214.423   56.768  173.963 RF   78.5 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.974   29.645  155.250 RF   78.5 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.474   32.698  151.429 RF   78.4 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.760   41.761  152.978 RF   78.4 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.182   36.981  179.693 RF   78.4 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.583   40.879  160.397 RF   78.4 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.526   31.131  133.953 RF   78.3 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.278   40.307  158.593 RF   78.2 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   14.334   23.518  135.651 RF   78.2 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  201.232   44.691  195.382 RF   78.2 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.308   53.759  154.829 RF   78.2 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.138   25.215  134.276 RF   78.1 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.765   26.601  136.983 RF   78.1 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  177.081   30.634  164.104 RF   78.1 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.768   30.768  159.195 RF   78.1 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.500   39.817  171.071 RF   78.1 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.705   28.038  181.965 RF   78.0 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.862   32.433  178.320 RF   78.0 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  261.465   30.958  211.704 RF   77.9 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.296   30.768  159.195 RF   77.9 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.828   31.579  154.758 RF   77.8 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.820   38.127  146.797 RF   77.8 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.460   21.314  150.409 RF   77.7 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.463   11.731  223.636 RF   77.7 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  212.936   41.167  203.145 RF   77.6 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  273.241   25.466  218.527 RF   77.6 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   25.214   19.891  151.386 RF   77.5 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  182.024   40.582  148.556 RF   77.5 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  233.342   30.768  159.195 RF   77.5 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  186.873   43.841  170.156 RF   77.5 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  218.966   34.600  185.712 RF   77.4 RFZ  2.84 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  249.985    7.323  233.307 RF   77.3 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.036   32.648  147.192 RF   77.3 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.724    9.032  130.621 RF   77.3 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  116.193   13.908   85.859 RF   77.3 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  251.757   23.300  178.313 RF   77.3 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.035   34.851  174.050 RF   77.2 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.335   58.354  154.199 RF   77.2 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  305.879   28.560   99.448 RF   77.1 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   26.727   22.173  134.486 RF   77.1 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.224   25.260  140.714 RF   77.1 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.414    5.368  211.612 RF   77.0 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.724   13.530   93.504 RF   77.0 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   17.831   18.414  140.969 RF   76.9 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.664   28.496  175.086 RF   76.9 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  120.330   37.137  144.780 RF   76.8 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.583   29.426  173.150 RF   76.8 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.762   31.367  167.872 RF   76.8 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.876   44.557  156.213 RF   76.8 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  301.686   18.210  172.997 RF   76.8 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.392   19.880  167.093 RF   76.7 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  323.822   26.217  181.423 RF   76.7 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  187.914   33.960  177.620 RF   76.7 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  237.787   44.836  165.264 RF   76.7 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  235.281   18.530  222.803 RF   76.5 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.483   42.272  158.790 RF   76.5 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.722   30.768  159.195 RF   76.4 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.749   32.036  139.851 RF   76.3 RFZ  2.73 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  167.554   53.753  165.358 RF   76.3 RFZ  2.73 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   78.454   33.718  128.610 RF   76.3 RFZ  2.73 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  107.121   15.923  103.954 RF   76.3 RFZ  2.72 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    2.250   24.787  138.003 RF   76.3 RFZ  2.72 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  109.395   40.969  157.891 RF   76.2 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  230.234   50.904  176.489 RF   76.2 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  306.520   14.352   74.543 RF   76.1 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.868   17.129  138.121 RF   76.1 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.488   35.661  216.142 RF   76.1 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.109   33.304  152.137 RF   76.1 RFZ  2.70 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  215.092   52.358  172.249 RF   76.1 RFZ  2.70 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   39.722   18.231  145.587 RF   76.0 RFZ  2.70 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.664   30.768  159.195 RF   76.0 RFZ  2.69 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.480   30.768  159.195 RF   75.9 RFZ  2.69 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  327.778   16.454  154.763 RF   75.9 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.021   47.206  198.816 RF   75.9 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.664   23.050  182.201 RF   75.9 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.095   20.634  108.809 RF   75.9 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  270.077   26.844  178.929 RF   75.8 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.592   42.873  152.005 RF   75.8 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  200.885   37.243  147.962 RF   75.8 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   18.341   30.410  143.145 RF   75.8 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  263.507   21.063  136.319 RF   75.8 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  100.219   21.636  148.565 RF   75.8 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.242   27.811  147.025 RF   75.8 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  171.632   44.458  159.325 RF   75.8 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.893   24.939  180.164 RF   75.6 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  199.461   39.034  167.248 RF   75.6 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   64.513   16.068  223.409 RF   75.6 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  180.647   53.219  173.617 RF   75.5 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.059   39.286  172.292 RF   75.5 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  278.572   30.768  159.195 RF   75.5 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  359.138   23.339  175.345 RF   75.5 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.443   43.194  171.864 RF   75.4 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.299   19.821  136.813 RF   75.4 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   46.892   28.603  167.417 RF   75.4 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   21.642   36.352  153.484 RF   75.4 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.201   37.089  156.639 RF   75.4 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  109.534   18.020  110.510 RF   75.4 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.618   30.768  159.195 RF   75.3 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.820   37.772  178.440 RF   75.3 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.311   43.587  168.237 RF   75.3 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  205.995   55.362  156.266 RF   75.3 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  338.494   31.758  176.517 RF   75.3 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  167.913   39.885  143.186 RF   75.2 RFZ  2.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  245.347   32.164  155.672 RF   75.2 RFZ  2.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    7.035   35.908  152.205 RF   75.1 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  312.617   35.970  173.606 RF   75.1 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.946   24.365  161.788 RF   75.1 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.129   11.878  183.406 RF   75.1 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.170   40.468  144.627 RF   75.1 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.930   43.233  153.410 RF   75.1 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  216.502   28.412  146.594 RF   75.1 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.049   35.847  175.245 RF   75.0 RFZ  2.59 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  325.907   37.435  156.554 RF   75.0 RFZ  2.59 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  283.334    5.776  208.816 RF   74.9 RFZ  2.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.968   41.276  171.853 RF   74.9 RFZ  2.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  334.249   37.540  157.424 RF   74.9 RFZ  2.58 # DEEP


   This TF set has 247 trial orientations


   #    Euler                  Rot-LLG      RF     RFZ  Ensemble
   1     260.3   25.9  169.4      92.5    88.6     4.0 helix_pdb
   2      61.8   25.2  150.8      92.3    88.5     4.0 helix_pdb
   3      51.9   24.9  151.8      91.5    88.1     4.0 helix_pdb
   4     144.5   34.2  148.9      90.0    87.6     3.9 helix_pdb
   5      81.5   25.9  148.9      91.6    87.2     3.9 helix_pdb
   6      65.1   29.9  146.5      90.4    86.9     3.8 helix_pdb
   7     311.9   26.5  162.4      90.4    86.8     3.8 helix_pdb
   8     254.3   27.7  166.2      90.1    86.7     3.8 helix_pdb
   9     154.7   35.4  158.0      90.7    86.6     3.8 helix_pdb
   10    330.4   24.0  161.8      89.9    86.4     3.8 helix_pdb
   11    302.2   26.6  163.1      89.5    86.4     3.8 helix_pdb
   12    119.8   27.8  146.6      89.3    86.2     3.8 helix_pdb
   13    138.4   28.8  146.0      89.6    86.2     3.8 helix_pdb
   14     66.9   34.6  143.2      89.1    86.1     3.7 helix_pdb
   15     41.8   24.6  152.9      88.8    86.0     3.7 helix_pdb
   16     68.5   27.2  153.3      89.8    85.5     3.7 helix_pdb
   17    240.9   26.8  170.8      88.8    85.5     3.7 helix_pdb
   18     95.2   25.2  143.9      89.9    85.5     3.7 helix_pdb
   19    130.9   39.3  153.8      89.6    85.3     3.7 helix_pdb
   20    105.0   25.8  143.1      89.1    85.3     3.7 helix_pdb
   21    332.6   27.0  170.3      88.8    85.2     3.6 helix_pdb
   22     98.1   38.3  149.4      88.5    85.1     3.6 helix_pdb
   23    125.0   29.0  150.7      88.0    85.0     3.6 helix_pdb
   24    114.5   26.4  142.5      88.3    84.9     3.6 helix_pdb
   25    179.4   35.7  151.0      88.4    84.8     3.6 helix_pdb
   26    231.2   27.3  171.5      88.0    84.8     3.6 helix_pdb
   27     89.7   37.8  148.5      88.3    84.7     3.6 helix_pdb
   28     72.9   36.8  146.8      88.0    84.7     3.6 helix_pdb
   29    281.6   33.4  166.5      87.7    84.7     3.6 helix_pdb
   30    290.4   33.1  166.7      88.0    84.7     3.6 helix_pdb
   31     56.3   20.6  156.8      88.0    84.5     3.6 helix_pdb
   32    136.3   40.2  158.3      88.8    84.5     3.6 helix_pdb
   33    266.4   24.0  172.4      88.5    84.5     3.6 helix_pdb
   34     86.2   34.2  153.4      86.9    84.2     3.5 helix_pdb
   35    133.6   27.8  141.5      87.6    84.1     3.5 helix_pdb
   36    238.5   34.6  163.9      87.8    84.0     3.5 helix_pdb
   37      1.1   24.0  157.9      87.3    83.9     3.5 helix_pdb
   38    161.0   30.0  141.4      87.2    83.9     3.5 helix_pdb
   39    114.5   38.8  151.6      87.7    83.8     3.5 helix_pdb
   40    316.8   32.1  167.6      86.6    83.8     3.5 helix_pdb
   41    350.9   26.2  159.2      87.1    83.7     3.5 helix_pdb
   42    243.8   38.1  168.7      87.5    83.5     3.5 helix_pdb
   43    170.1   30.7  141.5      87.2    83.5     3.5 helix_pdb
   44    331.0   25.5  151.2      86.7    83.4     3.5 helix_pdb
   45    226.1   28.7  167.3      86.4    83.3     3.5 helix_pdb
   46     94.9   34.5  153.8      85.7    83.1     3.4 helix_pdb
   47    286.9   23.0  169.8      87.1    82.8     3.4 helix_pdb
   48     30.4   24.9  165.3      84.9    82.6     3.4 helix_pdb
   49    322.8   28.6  160.3      85.9    82.5     3.4 helix_pdb
   50    296.4   20.6  159.3      85.6    82.4     3.4 helix_pdb
   51    351.9   21.7  148.5      86.8    82.4     3.4 helix_pdb
   52    168.9   35.3  142.5      86.1    82.4     3.4 helix_pdb
   53    168.8   39.9  163.1      86.5    82.3     3.4 helix_pdb
   54     10.7   27.0  148.4      86.6    82.3     3.3 helix_pdb
   55    219.0   39.2  165.8      85.1    82.3     3.3 helix_pdb
   56    246.3   25.1  174.6      86.3    82.1     3.3 helix_pdb
   57    248.3   29.3  162.7      85.5    82.1     3.3 helix_pdb
   58    188.5   36.1  151.9      85.6    82.1     3.3 helix_pdb
   59    276.5   23.5  171.3      86.4    82.1     3.3 helix_pdb
   60     29.9   26.5  156.0      84.3    81.6     3.3 helix_pdb
   61    217.5   27.2  176.3      84.4    81.5     3.3 helix_pdb
   62    152.6   30.0  150.4      84.8    81.5     3.3 helix_pdb
   63    242.6   48.3  196.3      84.8    81.5     3.3 helix_pdb
   64    335.6   60.2  153.7      84.6    81.5     3.3 helix_pdb
   65    302.5   34.5  174.6      84.8    81.4     3.3 helix_pdb
   66    285.3   35.8  173.3      85.0    81.4     3.3 helix_pdb
   ----- angles below here for deep search only -----
   67    232.6   37.5  171.1      85.0    81.3     3.2 helix_pdb
   68    221.3   35.0  162.8      83.9    81.3     3.2 helix_pdb
   69    165.5   35.6  167.6      84.0    81.3     3.2 helix_pdb
   70     42.6   32.8  151.2      83.3    81.3     3.2 helix_pdb
   71    204.2   35.1  161.6      84.0    81.2     3.2 helix_pdb
   72     27.1   27.8  147.5      85.1    81.2     3.2 helix_pdb
   73    174.8   35.2  168.2      84.1    81.2     3.2 helix_pdb
   74    248.5   40.7  162.8      84.2    80.9     3.2 helix_pdb
   75    131.6   36.7  164.2      83.4    80.7     3.2 helix_pdb
   76    163.6   40.0  158.2      84.2    80.7     3.2 helix_pdb
   77    155.4   40.0  157.0      84.0    80.7     3.2 helix_pdb
   78     63.1   47.9  196.7      83.5    80.7     3.2 helix_pdb
   79     55.9   49.4  194.2      84.2    80.6     3.2 helix_pdb
   80     10.9   21.0  165.8      84.0    80.6     3.2 helix_pdb
   81    266.8   29.1  162.3      83.8    80.4     3.2 helix_pdb
   82    260.3   37.3  170.7      84.4    80.3     3.1 helix_pdb
   83     74.0   36.1  212.8      83.1    80.2     3.1 helix_pdb
   84     60.8   26.6  129.6      84.0    80.2     3.1 helix_pdb
   85    352.1   21.6  169.2      83.8    80.1     3.1 helix_pdb
   86    195.6   35.3  161.0      82.8    80.1     3.1 helix_pdb
   87     84.5   21.2  136.3      83.7    79.9     3.1 helix_pdb
   88    207.9   27.9  176.7      81.9    79.9     3.1 helix_pdb
   89    276.8   36.5  172.7      83.3    79.9     3.1 helix_pdb
   90     82.2   32.1  212.8      82.5    79.9     3.1 helix_pdb
   91    341.6   28.5  159.6      83.0    79.9     3.1 helix_pdb
   92    170.8   30.8  150.4      83.7    79.8     3.1 helix_pdb
   93     38.9   16.4  156.1      82.2    79.7     3.1 helix_pdb
   94    140.1   44.1  153.2      83.6    79.7     3.1 helix_pdb
   95    139.5   30.1  154.8      82.5    79.6     3.1 helix_pdb
   96    194.3   50.7  192.8      82.9    79.6     3.1 helix_pdb
   97    264.7   40.4  165.3      82.9    79.6     3.1 helix_pdb
   98     19.0   28.6  158.1      82.3    79.5     3.1 helix_pdb
   99    183.4   40.2  156.6      83.3    79.5     3.1 helix_pdb
   100    31.3   27.0  139.0      83.1    79.5     3.1 helix_pdb
   101   232.6   52.2  186.1      83.1    79.5     3.1 helix_pdb
   102     9.7   28.5  158.4      82.5    79.5     3.1 helix_pdb
   103   206.2   45.3  158.5      82.7    79.4     3.1 helix_pdb
   104    35.0   58.5  174.9      82.7    79.4     3.0 helix_pdb
   105   227.3   54.3  181.4      82.9    79.3     3.0 helix_pdb
   106   147.2   28.4  136.6      82.5    79.3     3.0 helix_pdb
   107    21.9   46.5  196.2      82.2    79.3     3.0 helix_pdb
   108   194.8   32.1  146.9      81.8    79.3     3.0 helix_pdb
   109    42.4   57.7  177.4      82.7    79.2     3.0 helix_pdb
   110    12.5   21.8  155.4      83.0    79.2     3.0 helix_pdb
   111    49.3   33.3  141.9      81.6    79.2     3.0 helix_pdb
   112    79.3   28.9  129.8      83.4    79.2     3.0 helix_pdb
   113    88.6   14.5  113.8      81.8    79.1     3.0 helix_pdb
   114   130.3   30.0  155.0      81.7    79.1     3.0 helix_pdb
   115   137.9   55.7  141.6      82.7    79.1     3.0 helix_pdb
   116    37.7   34.4  143.8      81.2    79.1     3.0 helix_pdb
   117   224.3   30.8  179.4      82.5    79.0     3.0 helix_pdb
   118   197.6   45.3  156.8      82.2    79.0     3.0 helix_pdb
   119   210.9   39.5  164.7      82.0    79.0     3.0 helix_pdb
   120   353.6   30.7  168.0      81.6    78.9     3.0 helix_pdb
   121   108.2   30.0  138.9      82.7    78.9     3.0 helix_pdb
   122   285.4   20.6  161.4      81.8    78.9     3.0 helix_pdb
   123    99.1   29.2  139.0      82.5    78.9     3.0 helix_pdb
   124   193.4   46.2  192.8      82.2    78.9     3.0 helix_pdb
   125   192.6   30.3  164.0      81.6    78.8     3.0 helix_pdb
   126   207.4   29.4  167.8      81.5    78.8     3.0 helix_pdb
   127   300.4   24.4   96.6      81.8    78.8     3.0 helix_pdb
   128    47.3   26.9  133.6      82.7    78.7     3.0 helix_pdb
   129   176.1   30.9  154.4      81.9    78.7     3.0 helix_pdb
   130     9.3   30.0  168.0      81.0    78.5     3.0 helix_pdb
   131   156.7   29.3  136.4      81.7    78.5     3.0 helix_pdb
   132   214.4   56.8  174.0      81.6    78.5     3.0 helix_pdb
   133   112.0   29.6  155.3      80.8    78.5     3.0 helix_pdb
   134   221.5   32.7  151.4      80.7    78.4     2.9 helix_pdb
   135   209.8   41.8  153.0      81.9    78.4     2.9 helix_pdb
   136   206.2   37.0  179.7      82.0    78.4     2.9 helix_pdb
   137   125.6   40.9  160.4      81.3    78.4     2.9 helix_pdb
   138    84.5   31.1  134.0      83.0    78.3     2.9 helix_pdb
   139   197.3   40.3  158.6      81.7    78.2     2.9 helix_pdb
   140    14.3   23.5  135.7      81.7    78.2     2.9 helix_pdb
   141   201.2   44.7  195.4      80.9    78.2     2.9 helix_pdb
   142   156.3   53.8  154.8      81.0    78.2     2.9 helix_pdb
   143    31.1   25.2  134.3      81.3    78.1     2.9 helix_pdb
   144   128.8   26.6  137.0      82.1    78.1     2.9 helix_pdb
   145   177.1   30.6  164.1      80.7    78.1     2.9 helix_pdb
   146   153.8   30.8  159.2      81.2    78.1     2.9 helix_pdb
   147   174.5   39.8  171.1      81.7    78.1     2.9 helix_pdb
   148   304.7   28.0  182.0      82.2    78.0     2.9 helix_pdb
   149   206.9   32.4  178.3      81.7    78.0     2.9 helix_pdb
   150   261.5   31.0  211.7      81.3    77.9     2.9 helix_pdb
   151   224.3   30.8  159.2      80.3    77.9     2.9 helix_pdb
   152   209.8   31.6  154.8      80.2    77.8     2.9 helix_pdb
   153   136.8   38.1  146.8      81.0    77.8     2.9 helix_pdb
   154    89.5   21.3  150.4      79.9    77.7     2.9 helix_pdb
   155    72.5   11.7  223.6      80.5    77.7     2.9 helix_pdb
   156   212.9   41.2  203.1      80.4    77.6     2.9 helix_pdb
   157   273.2   25.5  218.5      80.8    77.6     2.9 helix_pdb
   158    25.2   19.9  151.4      81.0    77.5     2.9 helix_pdb
   159   182.0   40.6  148.6      81.5    77.5     2.9 helix_pdb
   160   233.3   30.8  159.2      80.3    77.5     2.8 helix_pdb
   161   186.9   43.8  170.2      80.5    77.5     2.8 helix_pdb
   162   219.0   34.6  185.7      81.6    77.4     2.8 helix_pdb
   163   250.0    7.3  233.3      80.3    77.3     2.8 helix_pdb
   164   204.0   32.6  147.2      79.6    77.3     2.8 helix_pdb
   165    63.7    9.0  130.6      79.9    77.3     2.8 helix_pdb
   166   116.2   13.9   85.9      80.6    77.3     2.8 helix_pdb
   167   251.8   23.3  178.3      81.0    77.3     2.8 helix_pdb
   168   179.0   34.9  174.0      80.0    77.2     2.8 helix_pdb
   169   156.3   58.4  154.2      80.2    77.2     2.8 helix_pdb
   170   305.9   28.6   99.4      80.3    77.1     2.8 helix_pdb
   171    26.7   22.2  134.5      81.2    77.1     2.8 helix_pdb
   172    52.2   25.3  140.7      80.5    77.1     2.8 helix_pdb
   173   101.4    5.4  211.6      79.8    77.0     2.8 helix_pdb
   174   287.7   13.5   93.5      79.3    77.0     2.8 helix_pdb
   175    17.8   18.4  141.0      80.1    76.9     2.8 helix_pdb
   176   350.7   28.5  175.1      79.7    76.9     2.8 helix_pdb
   177   120.3   37.1  144.8      80.6    76.8     2.8 helix_pdb
   178   192.6   29.4  173.2      78.5    76.8     2.8 helix_pdb
   179   155.8   31.4  167.9      79.5    76.8     2.8 helix_pdb
   180   155.9   44.6  156.2      80.0    76.8     2.8 helix_pdb
   181   301.7   18.2  173.0      81.0    76.8     2.8 helix_pdb
   182   316.4   19.9  167.1      79.9    76.7     2.8 helix_pdb
   183   323.8   26.2  181.4      80.5    76.7     2.8 helix_pdb
   184   187.9   34.0  177.6      80.0    76.7     2.8 helix_pdb
   185   237.8   44.8  165.3      80.3    76.7     2.8 helix_pdb
   186   235.3   18.5  222.8      80.2    76.5     2.7 helix_pdb
   187   242.5   42.3  158.8      79.7    76.5     2.7 helix_pdb
   188   144.7   30.8  159.2      79.4    76.4     2.7 helix_pdb
   189   239.7   32.0  139.9      78.5    76.3     2.7 helix_pdb
   190   167.6   53.8  165.4      79.5    76.3     2.7 helix_pdb
   191    78.5   33.7  128.6      79.5    76.3     2.7 helix_pdb
   192   107.1   15.9  104.0      79.9    76.3     2.7 helix_pdb
   193     2.3   24.8  138.0      79.2    76.3     2.7 helix_pdb
   194   109.4   41.0  157.9      79.0    76.2     2.7 helix_pdb
   195   230.2   50.9  176.5      79.0    76.2     2.7 helix_pdb
   196   306.5   14.4   74.5      79.8    76.1     2.7 helix_pdb
   197    55.9   17.1  138.1      79.0    76.1     2.7 helix_pdb
   198    81.5   35.7  216.1      78.6    76.1     2.7 helix_pdb
   199   239.1   33.3  152.1      78.0    76.1     2.7 helix_pdb
   200   215.1   52.4  172.2      78.6    76.1     2.7 helix_pdb
   201    39.7   18.2  145.6      79.3    76.0     2.7 helix_pdb
   202   296.7   30.8  159.2      78.3    76.0     2.7 helix_pdb
   203   260.5   30.8  159.2      79.2    75.9     2.7 helix_pdb
   204   327.8   16.5  154.8      79.9    75.9     2.7 helix_pdb
   205    30.0   47.2  198.8      78.1    75.9     2.7 helix_pdb
   206   332.7   23.1  182.2      79.4    75.9     2.7 helix_pdb
   207   101.1   20.6  108.8      80.1    75.9     2.7 helix_pdb
   208   270.1   26.8  178.9      79.6    75.8     2.7 helix_pdb
   209   219.6   42.9  152.0      78.4    75.8     2.7 helix_pdb
   210   200.9   37.2  148.0      78.6    75.8     2.7 helix_pdb
   211    18.3   30.4  143.1      78.6    75.8     2.7 helix_pdb
   212   263.5   21.1  136.3      78.1    75.8     2.7 helix_pdb
   213   100.2   21.6  148.6      78.2    75.8     2.7 helix_pdb
   214   206.2   27.8  147.0      78.8    75.8     2.7 helix_pdb
   215   171.6   44.5  159.3      79.1    75.8     2.7 helix_pdb
   216   231.9   24.9  180.2      80.1    75.6     2.7 helix_pdb
   217   199.5   39.0  167.2      78.3    75.6     2.6 helix_pdb
   218    64.5   16.1  223.4      77.6    75.6     2.6 helix_pdb
   219   180.6   53.2  173.6      78.5    75.5     2.6 helix_pdb
   220   183.1   39.3  172.3      78.5    75.5     2.6 helix_pdb
   221   278.6   30.8  159.2      78.3    75.5     2.6 helix_pdb
   222   359.1   23.3  175.3      78.5    75.5     2.6 helix_pdb
   223   195.4   43.2  171.9      79.2    75.4     2.6 helix_pdb
   224    37.3   19.8  136.8      79.2    75.4     2.6 helix_pdb
   225    46.9   28.6  167.4      77.9    75.4     2.6 helix_pdb
   226    21.6   36.4  153.5      78.1    75.4     2.6 helix_pdb
   227    56.2   37.1  156.6      77.8    75.4     2.6 helix_pdb
   228   109.5   18.0  110.5      78.4    75.4     2.6 helix_pdb
   229   287.6   30.8  159.2      77.8    75.3     2.6 helix_pdb
   230   197.8   37.8  178.4      78.1    75.3     2.6 helix_pdb
   231   217.3   43.6  168.2      77.9    75.3     2.6 helix_pdb
   232   206.0   55.4  156.3      78.8    75.3     2.6 helix_pdb
   233   338.5   31.8  176.5      78.4    75.3     2.6 helix_pdb
   234   167.9   39.9  143.2      79.2    75.2     2.6 helix_pdb
   235   245.3   32.2  155.7      78.5    75.2     2.6 helix_pdb
   236     7.0   35.9  152.2      77.9    75.1     2.6 helix_pdb
   237   312.6   36.0  173.6      78.0    75.1     2.6 helix_pdb
   238   239.9   24.4  161.8      78.1    75.1     2.6 helix_pdb
   239   300.1   11.9  183.4      77.4    75.1     2.6 helix_pdb
   240   176.2   40.5  144.6      79.2    75.1     2.6 helix_pdb
   241   227.9   43.2  153.4      77.8    75.1     2.6 helix_pdb
   242   216.5   28.4  146.6      78.3    75.1     2.6 helix_pdb
   243   238.0   35.8  175.2      78.6    75.0     2.6 helix_pdb
   244   325.9   37.4  156.6      77.5    75.0     2.6 helix_pdb
   245   283.3    5.8  208.8      77.7    74.9     2.6 helix_pdb
   246   154.0   41.3  171.9      78.2    74.9     2.6 helix_pdb
   247   334.2   37.5  157.4      77.7    74.9     2.6 helix_pdb

      66 trial orientations in initial search
      181 trial orientations in deep search


   Scoring 741 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #2 of 8
   0%          100%
   |============| DONE

   Mean Score (Sigma):       34.62   (10.92)

   SET #2 of 8 TRIAL #1 of 66
   --------------------------
   Ensemble helix_pdb Euler 260.25  25.95 169.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 56 sites over 67.5% of top
   56 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.758  0.995  0.432     104.50  5.36
   2      0.258  0.495  0.432     104.50  5.36
   3      0.747  0.479  0.563     104.02  5.29
   #Sites = 56: output truncated to 3 sites

   Top 56 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #1 of 66
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.747  0.479  0.563     99.704  5.29   0.0      6     104.02/    104.50
   2      0.251  0.047  0.339     88.801  4.06  12.0      2      96.57/     96.57
   3      0.611  0.433  0.220     87.067  4.27  16.7      2      97.82/     97.82
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #2 of 66
   --------------------------
   Ensemble helix_pdb Euler  61.81  25.19 150.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 74 sites over 67.5% of top
   74 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.840  0.340  0.443     100.21  4.61
   2      0.340  0.840  0.443     100.21  4.61
   3      0.370  0.001  0.592      99.49  4.49
   #Sites = 74: output truncated to 3 sites

   Top 74 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #2 of 66
   0%   100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 26 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.840  0.340  0.443     88.896  4.61   0.0      4     100.21/    100.21
   2      0.598  0.971  0.053     85.757  4.16  21.8      4      97.39/     97.43
   3      0.870  0.501  0.592     84.580  4.49   8.9      4      99.49/     99.49
   #SITES = 26: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #3 of 66
   --------------------------
   Ensemble helix_pdb Euler  51.87  24.86 151.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 36 sites over 67.5% of top
   36 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.398  0.046  0.595     97.480  4.39
   2      0.898  0.546  0.595     97.480  4.39
   3      0.376  0.962  0.591     97.308  4.36
   #Sites = 36: output truncated to 3 sites

   Top 36 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #3 of 66
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 13 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.401  0.869  0.943     84.657  4.29   0.0      2     96.873/    96.873
   2      0.876  0.462  0.591     84.163  4.36  27.9      4     97.308/    97.308
   3      0.924  0.460  0.702     82.902  4.01  32.9      2     95.147/    95.147
   #SITES = 13: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #4 of 66
   --------------------------
   Ensemble helix_pdb Euler 144.54  34.20 148.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 44 sites over 67.5% of top
   44 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.752  0.548  0.818     100.63  4.85
   2      0.252  0.048  0.818     100.63  4.85
   3      0.282  0.041  0.183      99.90  4.73
   #Sites = 44: output truncated to 3 sites

   Top 44 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #4 of 66
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 16 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.752  0.548  0.818     86.985  4.85   0.0      4     100.63/    100.63
   2      0.757  0.011  0.629     85.946  4.15  16.5      6      96.20/     96.20
   3      0.252  0.459  0.816     85.450  4.56  40.1      4      98.82/     98.82
   #SITES = 16: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #5 of 66
   --------------------------
   Ensemble helix_pdb Euler  81.53  25.92 148.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 52 sites over 67.5% of top
   52 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.775  0.031  0.512     99.381  4.67
   2      0.275  0.531  0.512     99.381  4.67
   3      0.790  0.547  0.377     98.229  4.49
   #Sites = 52: output truncated to 3 sites

   Top 52 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #5 of 66
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 16 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.775  0.031  0.512     87.663  4.67   0.0      2     99.381/    99.381
   2      0.791  0.380  0.226     87.036  4.46  20.8      2     98.057/    98.057
   3      0.929  0.017  0.578     85.919  3.93  12.0      4     94.707/    94.707
   #SITES = 16: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #6 of 66
   --------------------------
   Ensemble helix_pdb Euler  65.08  29.91 146.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 20 sites over 67.5% of top
   20 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.740  0.872  0.385     98.215  4.65
   2      0.240  0.372  0.385     98.215  4.65
   3      0.372  0.417  0.721     97.357  4.51
   #Sites = 20: output truncated to 3 sites

   Top 20 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #6 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.240  0.372  0.385     92.037  4.65   0.0      2     98.215/    98.215
   2      0.780  0.304  0.694     87.345  4.44   4.4      2     96.941/    96.941
   3      0.307  0.345  0.048     83.327  4.36  25.8      2     96.398/    96.398
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #7 of 66
   --------------------------
   Ensemble helix_pdb Euler 311.90  26.45 162.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 42 sites over 67.5% of top
   42 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.359  0.558  0.559     102.71  5.19
   2      0.859  0.058  0.559     102.71  5.19
   3      0.365  0.557  0.568     100.59  4.85
   #Sites = 42: output truncated to 3 sites

   Top 42 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #7 of 66
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.202  0.037  0.351     89.014  4.27   0.0      4     96.898/    96.898
   2      0.365  0.557  0.568     84.340  4.85  16.7      4    100.590/   102.708
   3      0.774  0.721  0.524     81.763  4.10  10.1      2     95.856/    95.856
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #8 of 66
   --------------------------
   Ensemble helix_pdb Euler 254.25  27.73 166.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 32 sites over 67.5% of top
   32 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.738  0.024  0.425     102.11  5.04
   2      0.238  0.524  0.425     102.11  5.04
   3      0.342  0.521  0.656     100.86  4.83
   #Sites = 32: output truncated to 3 sites

   Top 32 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #8 of 66
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.728  0.516  0.558     91.248  4.38   0.0      2     98.081/    98.081
   2      0.673  0.497  0.440     89.084  4.40   5.8      4     98.156/    99.035
   3      0.536  0.435  0.873     84.975  4.28  22.0      4     97.419/    97.419
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #9 of 66
   --------------------------
   Ensemble helix_pdb Euler 154.74  35.36 158.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 58 sites over 67.5% of top
   58 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.282  0.434  0.736     101.92  4.98
   2      0.782  0.934  0.736     101.92  4.98
   3      0.687  0.635  0.212     100.16  4.70
   #Sites = 58: output truncated to 3 sites

   Top 58 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #9 of 66
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 14 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.647  0.879  0.395     89.340  4.68   0.0      4     100.01/    100.01
   2      0.757  0.459  0.179     84.942  4.19  23.9      2      97.00/     97.00
   3      0.282  0.434  0.736     83.771  4.98  17.2      4     101.92/    101.92
   #SITES = 14: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #10 of 66
   ---------------------------
   Ensemble helix_pdb Euler 330.42  24.03 161.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.784  0.601  0.482     100.52  5.24
   2      0.284  0.101  0.482     100.52  5.24
   3      0.780  0.603  0.476      98.74  4.95
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #10 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.784  0.601  0.482     96.607  5.24   0.0      4     100.52/    100.52
   2      0.589  0.580  0.029     84.666  4.32  22.0      2      94.86/     94.86
   3      0.936  0.099  0.686     81.465  4.56  16.5      2      96.36/     96.36

   SET #2 of 8 TRIAL #11 of 66
   ---------------------------
   Ensemble helix_pdb Euler 302.20  26.60 163.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 26 sites over 67.5% of top
   26 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.349  0.538  0.556     98.415  4.62
   2      0.849  0.038  0.556     98.415  4.62
   3      0.693  0.509  0.346     97.164  4.43
   #Sites = 26: output truncated to 3 sites

   Top 26 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #11 of 66
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.193  0.009  0.346     90.681  4.43   0.0      4     97.164/    97.164
   2      0.356  0.533  0.451     79.550  4.20  16.4      4     95.711/    96.799
   3      0.279  0.565  0.236     78.091  4.29  17.2      2     96.332/    96.332
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #12 of 66
   ---------------------------
   Ensemble helix_pdb Euler 119.80  27.80 146.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 26 sites over 67.5% of top
   26 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.316  0.654  0.932     101.86  5.14
   2      0.816  0.154  0.932     101.86  5.14
   3      0.297  0.085  0.498     101.85  5.14
   #Sites = 26: output truncated to 3 sites

   Top 26 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #12 of 66
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.816  0.154  0.932     86.078  5.14   0.0      4     101.86/    101.86
   2      0.963  0.045  0.491     85.787  4.26  28.8      2      96.46/     96.46
   3      0.316  0.136  0.933     83.640  4.97  46.1      4     100.84/    100.84
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #13 of 66
   ---------------------------
   Ensemble helix_pdb Euler 138.41  28.85 146.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 26 sites over 67.5% of top
   26 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.753  0.630  0.827     100.72  5.01
   2      0.253  0.130  0.827     100.72  5.01
   3      0.298  0.621  0.940      98.61  4.67
   #Sites = 26: output truncated to 3 sites

   Top 26 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #13 of 66
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.753  0.630  0.827     88.138  5.01   0.0      4     100.72/    100.72
   2      0.317  0.634  0.489     83.557  4.19  16.7      4      95.67/     95.67
   3      0.799  0.627  0.941     82.289  4.62   5.5      2      98.33/     98.33
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #14 of 66
   ---------------------------
   Ensemble helix_pdb Euler  66.88  34.65 143.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.732  0.786  0.369     96.973  4.72
   2      0.232  0.286  0.369     96.973  4.72
   3      0.734  0.303  0.579     94.922  4.37
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #14 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.732  0.786  0.369     87.328  4.72   0.0      2     96.973/    96.973
   2      0.988  0.903  0.686     86.378  4.37  18.9      2     94.893/    94.893
   3      0.305  0.250  0.037     83.150  4.36  26.2      2     94.847/    94.847
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #15 of 66
   ---------------------------
   Ensemble helix_pdb Euler  41.80  24.60 152.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.771  0.416  0.258     96.726  4.74
   2      0.271  0.916  0.258     96.726  4.74
   3      0.403  0.992  0.594     95.368  4.52
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #15 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.271  0.916  0.258     85.542  4.74   0.0      2     96.726/    96.726

   SET #2 of 8 TRIAL #16 of 66
   ---------------------------
   Ensemble helix_pdb Euler  68.53  27.20 153.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 48 sites over 67.5% of top
   48 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.813  0.358  0.428     97.837  4.39
   2      0.313  0.858  0.428     97.837  4.39
   3      0.788  0.499  0.370     97.291  4.30
   #Sites = 48: output truncated to 3 sites

   Top 48 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #16 of 66
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 13 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.787  0.327  0.217     83.114  4.26   0.0      2     97.049/    97.049
   2      0.805  0.079  0.801     83.012  4.07  28.1      2     95.877/    95.877
   3      0.820  0.360  0.436     82.121  4.15  12.2      4     96.364/    97.837
   #SITES = 13: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #17 of 66
   ---------------------------
   Ensemble helix_pdb Euler 240.92  26.84 170.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.270  0.022  0.669     97.671  4.83
   2      0.770  0.522  0.669     97.671  4.83
   3      0.392  0.485  0.662     96.985  4.71
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #17 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.770  0.522  0.669     84.858  4.83   0.0      2     97.671/    97.671
   2      0.033  0.909  0.874     83.506  4.59  20.9      2     96.257/    96.257
   3      0.568  0.267  0.148     76.531  4.27  26.1      2     94.344/    94.344
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #18 of 66
   ---------------------------
   Ensemble helix_pdb Euler  95.22  25.15 143.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.596  0.602  0.051     95.594  4.46
   2      0.096  0.102  0.051     95.594  4.46
   3      0.619  0.105  0.606     95.458  4.43
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #18 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.751  0.162  0.160     77.564  4.39   0.0      2     95.223/    95.223
   2      0.619  0.105  0.606     72.809  4.43  28.9      2     95.458/    95.458
   3      0.096  0.102  0.051     71.794  4.46  25.0      2     95.594/    95.594
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #19 of 66
   ---------------------------
   Ensemble helix_pdb Euler 130.85  39.28 153.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.686  0.896  0.388     97.035  5.11
   2      0.186  0.396  0.388     97.035  5.11
   3      0.677  0.621  0.088     96.046  4.95
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #19 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.186  0.396  0.388     95.075  5.11   0.0      6     97.035/    97.035
   2      0.724  0.847  0.696     86.340  4.79  16.5      2     95.104/    95.104
   3      0.177  0.121  0.088     84.440  4.95  19.6      2     96.046/    96.046

   SET #2 of 8 TRIAL #20 of 66
   ---------------------------
   Ensemble helix_pdb Euler 105.00  25.77 143.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.608  0.128  0.606     96.036  4.56
   2      0.108  0.628  0.606     96.036  4.56
   3      0.388  0.127  0.718     94.479  4.31
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #20 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.917  0.096  0.587     89.191  4.30   0.0      2     94.412/    94.412
   2      0.888  0.627  0.718     80.876  4.31  15.2      2     94.479/    94.479

   SET #2 of 8 TRIAL #21 of 66
   ---------------------------
   Ensemble helix_pdb Euler 332.57  27.01 170.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.429  0.645  0.030     94.278  4.50
   2      0.929  0.145  0.030     94.278  4.50
   3      0.799  0.943  0.529     94.057  4.46
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #21 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.429  0.645  0.030     83.691  4.50   0.0      2     94.278/    94.278
   2      0.013  0.650  0.452     81.291  4.43  31.4      2     93.891/    93.891
   3      0.386  0.252  0.446     80.941  4.44  27.4      2     93.929/    93.929
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #22 of 66
   ---------------------------
   Ensemble helix_pdb Euler  98.11  38.34 149.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.750  0.905  0.490     94.727  4.61
   2      0.250  0.405  0.490     94.727  4.61
   3      0.791  0.221  0.413     94.388  4.55
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #22 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.750  0.905  0.490     83.462  4.61   0.0      2     94.727/    94.727
   2      0.291  0.721  0.413     76.036  4.55  10.1      2     94.388/    94.388

   SET #2 of 8 TRIAL #23 of 66
   ---------------------------
   Ensemble helix_pdb Euler 125.04  28.98 150.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 62 sites over 67.5% of top
   62 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.302  0.105  0.935     101.74  4.96
   2      0.802  0.605  0.935     101.74  4.96
   3      0.756  0.607  0.822      99.80  4.65
   #Sites = 62: output truncated to 3 sites

   Top 62 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #23 of 66
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 13 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.251  0.112  0.816     85.202  4.51   0.0      4     98.855/    99.796
   2      0.010  0.973  0.617     83.399  4.06  17.4      2     96.075/    96.075
   3      0.802  0.605  0.935     82.980  4.96  44.6      6    101.739/   101.739
   #SITES = 13: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #24 of 66
   ---------------------------
   Ensemble helix_pdb Euler 114.54  26.45 142.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.446  0.996  0.180     95.025  4.44
   2      0.946  0.496  0.180     95.025  4.44
   3      0.315  0.110  0.504     94.644  4.38
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #24 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.318  0.929  0.351     88.915  4.27   0.0      2     94.012/    94.012
   2      0.912  0.104  0.604     86.059  4.27  23.6      2     94.011/    94.011
   3      0.337  0.689  0.939     83.143  4.36  27.9      2     94.579/    94.579
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #25 of 66
   ---------------------------
   Ensemble helix_pdb Euler 179.38  35.69 151.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.704  0.439  0.390     99.887  5.28
   2      0.204  0.939  0.390     99.887  5.28
   3      0.698  0.438  0.385     99.308  5.19
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #25 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.753  0.258  0.347     86.265  4.51   0.0      2     95.151/    95.151
   2      0.204  0.939  0.390     80.548  5.28  16.3      4     99.887/    99.887
   3      0.804  0.426  0.622     79.129  4.42  15.4      2     94.612/    94.612

   SET #2 of 8 TRIAL #26 of 66
   ---------------------------
   Ensemble helix_pdb Euler 231.17  27.28 171.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.260  0.037  0.669     97.722  4.82
   2      0.760  0.537  0.669     97.722  4.82
   3      0.523  0.427  0.872     96.173  4.55
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #26 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.760  0.537  0.669     89.132  4.82   0.0      2     97.722/    97.722
   2      0.523  0.427  0.872     83.464  4.55  26.6      2     96.173/    96.173

   SET #2 of 8 TRIAL #27 of 66
   ---------------------------
   Ensemble helix_pdb Euler  89.72  37.80 148.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.757  0.882  0.491     97.944  5.10
   2      0.257  0.382  0.491     97.944  5.10
   3      0.333  0.435  0.150     95.959  4.76
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #27 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.333  0.435  0.150     86.921  4.76   0.0      2     95.959/    95.959
   2      0.257  0.382  0.491     83.824  5.10  26.8      2     97.944/    97.944

   SET #2 of 8 TRIAL #28 of 66
   ---------------------------
   Ensemble helix_pdb Euler  72.90  36.76 146.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #29 of 66
   ---------------------------
   Ensemble helix_pdb Euler 281.57  33.45 166.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.729  0.004  0.165     98.121  4.91
   2      0.229  0.504  0.165     98.121  4.91
   3      0.745  0.599  0.746     96.979  4.72
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #29 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.664  0.629  0.329     86.264  4.61   0.0      2     96.315/    96.315
   2      0.729  0.004  0.165     81.037  4.91  17.4      2     98.121/    98.121
   3      0.245  0.099  0.746     79.029  4.72  16.4      2     96.979/    96.979
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #30 of 66
   ---------------------------
   Ensemble helix_pdb Euler 290.39  33.10 166.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 30 sites over 67.5% of top
   30 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.709  0.722  0.640     97.252  4.71
   2      0.209  0.222  0.640     97.252  4.71
   3      0.314  0.605  0.039     96.701  4.62
   #Sites = 30: output truncated to 3 sites

   Top 30 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #30 of 66
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.674  0.639  0.335     85.072  4.35   0.0      4     95.033/    95.033
   2      0.324  0.139  0.393     82.777  4.24  20.9      2     94.387/    94.387
   3      0.709  0.722  0.640     82.694  4.71  17.6      2     97.252/    97.252
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #31 of 66
   ---------------------------
   Ensemble helix_pdb Euler  56.35  20.61 156.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #32 of 66
   ---------------------------
   Ensemble helix_pdb Euler 136.29  40.23 158.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.673  0.846  0.385     100.60  5.70
   2      0.173  0.346  0.385     100.60  5.70
   3      0.674  0.852  0.388      97.06  5.10
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #32 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.673  0.846  0.385     99.667  5.70   0.0      6     100.60/    100.60
   2      0.212  0.299  0.694     84.913  5.05  18.0      2      96.74/     96.74

   SET #2 of 8 TRIAL #33 of 66
   ---------------------------
   Ensemble helix_pdb Euler 266.43  24.03 172.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.771  0.459  0.580     102.73  6.00
   2      0.271  0.959  0.580     102.73  6.00
   3      0.767  0.457  0.572     100.73  5.66
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #33 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.771  0.459  0.580     104.06  6.00   0.0      4     102.73/    102.73
   2      0.632  0.415  0.228      90.75  5.11  17.1      2      97.40/     97.40
   3      0.127  0.369  0.217      87.30  4.47  10.1      2      93.61/     93.61

   SET #2 of 8 TRIAL #34 of 66
   ---------------------------
   Ensemble helix_pdb Euler  86.17  34.18 153.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 48 sites over 67.5% of top
   48 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.579  0.874  0.526     100.69  4.89
   2      0.079  0.374  0.526     100.69  4.89
   3      0.759  0.403  0.355      99.65  4.72
   #Sites = 48: output truncated to 3 sites

   Top 48 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #34 of 66
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 18 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.243  0.438  0.489     79.233  4.22   0.0      2     96.550/    96.550
   2      0.818  0.466  0.140     78.288  4.23  27.5      4     96.616/    96.993
   3      0.234  0.833  0.685     77.865  3.92  16.0      2     94.729/    94.729
   #SITES = 18: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #35 of 66
   ---------------------------
   Ensemble helix_pdb Euler 133.57  27.81 141.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.313  0.683  0.937     99.472  5.43
   2      0.813  0.183  0.937     99.472  5.43
   3      0.318  0.684  0.946     97.041  5.03
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #35 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.922  0.513  0.181     87.342  4.50   0.0      2     93.829/    93.829
   2      0.313  0.683  0.937     87.246  5.43  18.3      4     99.472/    99.472
   3      0.944  0.080  0.733     85.780  4.70  31.5      2     95.066/    95.066

   SET #2 of 8 TRIAL #36 of 66
   ---------------------------
   Ensemble helix_pdb Euler 238.45  34.59 163.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 22 sites over 67.5% of top
   22 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.484  0.522  0.959     96.993  4.77
   2      0.984  0.022  0.959     96.993  4.77
   3      0.483  0.118  0.459     96.621  4.71
   #Sites = 22: output truncated to 3 sites

   Top 22 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #36 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.817  0.650  0.489     84.531  4.25   0.0      2     93.780/    93.780
   2      0.747  0.608  0.845     84.128  4.57  27.2      4     95.719/    95.719
   3      0.185  0.654  0.298     83.128  4.68  13.6      4     96.402/    96.402
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #37 of 66
   ---------------------------
   Ensemble helix_pdb Euler   1.14  23.98 157.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.387  0.448  0.719     95.207  4.75
   2      0.887  0.948  0.719     95.207  4.75
   3      0.862  0.149  0.822     94.049  4.56
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #37 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.387  0.448  0.719     82.921  4.75   0.0      2     95.207/    95.207
   2      0.362  0.649  0.822     82.884  4.56   9.5      2     94.049/    94.049
   3      0.822  0.840  0.550     77.715  4.48  18.1      2     93.503/    93.503
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #38 of 66
   ---------------------------
   Ensemble helix_pdb Euler 160.97  29.98 141.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.362  0.070  0.836     96.478  4.63
   2      0.862  0.570  0.836     96.478  4.63
   3      0.481  0.507  0.620     95.359  4.44
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #38 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.481  0.507  0.620     83.098  4.44   0.0      2     95.359/    95.359
   2      0.694  0.171  0.722     81.847  4.34  18.1      2     94.787/    94.787
   3      0.883  0.324  0.566     80.551  4.32  27.8      2     94.671/    94.671
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #39 of 66
   ---------------------------
   Ensemble helix_pdb Euler 114.47  38.85 151.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.694  0.621  0.088     94.905  4.98
   2      0.194  0.121  0.088     94.905  4.98

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #39 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.194  0.121  0.088     84.243  4.98   0.0      2     94.905/    94.905

   SET #2 of 8 TRIAL #40 of 66
   ---------------------------
   Ensemble helix_pdb Euler 316.81  32.12 167.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.349  0.192  0.425     95.555  4.47
   2      0.849  0.692  0.425     95.555  4.47
   3      0.668  0.067  0.948     95.470  4.45
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #40 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.849  0.692  0.425     83.609  4.47   0.0      2     95.555/    95.555
   2      0.668  0.067  0.948     78.493  4.45  25.0      2     95.470/    95.470
   3      0.800  0.235  0.430     76.162  4.35  11.9      2     94.863/    94.863

   SET #2 of 8 TRIAL #41 of 66
   ---------------------------
   Ensemble helix_pdb Euler 350.92  26.21 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.782  0.677  0.482     95.856  4.70
   2      0.282  0.177  0.482     95.856  4.70
   3      0.712  0.192  0.130     95.414  4.63
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #41 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.782  0.677  0.482     86.305  4.70   0.0      4     95.856/    95.856
   2      0.212  0.692  0.130     85.064  4.63  24.3      2     95.414/    95.414
   3      0.306  0.306  0.541     76.923  4.41  11.5      2     94.032/    94.032

   SET #2 of 8 TRIAL #42 of 66
   ---------------------------
   Ensemble helix_pdb Euler 243.79  38.08 168.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.480  0.600  0.851     93.229  4.83
   2      0.980  0.100  0.851     93.229  4.83

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #42 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.980  0.100  0.851     81.559  4.83   0.0      2     93.229/    93.229

   SET #2 of 8 TRIAL #43 of 66
   ---------------------------
   Ensemble helix_pdb Euler 170.10  30.70 141.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.358  0.047  0.842     95.655  4.52
   2      0.858  0.547  0.842     95.655  4.52
   3      0.351  0.050  0.835     95.322  4.46
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #43 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.382  0.536  0.399     79.484  4.40   0.0      4     94.929/    94.929
   2      0.304  0.622  0.722     77.806  4.31  25.8      2     94.410/    94.410
   3      0.184  0.635  0.722     74.983  4.39  34.3      2     94.870/    94.870
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #44 of 66
   ---------------------------
   Ensemble helix_pdb Euler 331.02  25.47 151.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.360  0.516  0.566     96.220  4.77
   2      0.860  0.016  0.566     96.220  4.77
   3      0.368  0.947  0.076     95.297  4.62
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #44 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.250  0.980  0.469     80.874  4.35   0.0      4     93.662/    94.991
   2      0.196  0.999  0.347     80.392  4.36   5.9      2     93.734/    93.734
   3      0.868  0.447  0.076     75.410  4.62  29.2      4     95.297/    95.297
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #45 of 66
   ---------------------------
   Ensemble helix_pdb Euler 226.10  28.67 167.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 28 sites over 67.5% of top
   28 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.247  0.093  0.663     101.07  5.30
   2      0.747  0.593  0.663     101.07  5.30
   3      0.244  0.095  0.657      99.66  5.07
   #Sites = 28: output truncated to 3 sites

   Top 28 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #45 of 66
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.247  0.093  0.663     93.014  5.30   0.0      4     101.07/    101.07
   2      0.700  0.572  0.551     85.174  4.49  20.6      4      96.20/     96.20
   3      0.898  0.608  0.423     82.055  4.51  15.8      2      96.30/     96.30
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #46 of 66
   ---------------------------
   Ensemble helix_pdb Euler  94.86  34.47 153.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 28 sites over 67.5% of top
   28 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.775  0.299  0.414     98.444  4.80
   2      0.275  0.799  0.414     98.444  4.80
   3      0.571  0.882  0.527     97.859  4.71
   #Sites = 28: output truncated to 3 sites

   Top 28 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #46 of 66
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.235  0.457  0.489     80.744  4.21   0.0      2     94.830/    94.830
   2      0.811  0.021  0.152     80.501  4.29  27.8      2     95.336/    95.336
   3      0.808  0.477  0.141     78.564  4.26  26.2      4     95.133/    95.231
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #47 of 66
   ---------------------------
   Ensemble helix_pdb Euler 286.88  23.04 169.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.791  0.485  0.581     93.314  4.90
   2      0.291  0.985  0.581     93.314  4.90

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #47 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.291  0.985  0.581     91.640  4.90   0.0      2     93.314/    93.314

   SET #2 of 8 TRIAL #48 of 66
   ---------------------------
   Ensemble helix_pdb Euler  30.36  24.91 165.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.423  0.970  0.698     94.148  4.56
   2      0.923  0.470  0.698     94.148  4.56

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #48 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.423  0.970  0.698     81.031  4.56   0.0      2     94.148/    94.148

   SET #2 of 8 TRIAL #49 of 66
   ---------------------------
   Ensemble helix_pdb Euler 322.82  28.56 160.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.790  0.117  0.446     96.048  4.61
   2      0.290  0.617  0.446     96.048  4.61
   3      0.355  0.589  0.554     94.804  4.42
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #49 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.790  0.117  0.446     78.517  4.61   0.0      2     96.048/    96.048
   2      0.862  0.089  0.563     71.276  4.37   6.0      4     94.522/    94.804
   3      0.791  0.948  0.577     70.867  4.22   9.2      2     93.580/    93.580

   SET #2 of 8 TRIAL #50 of 66
   ---------------------------
   Ensemble helix_pdb Euler 296.42  20.58 159.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #51 of 66
   ---------------------------
   Ensemble helix_pdb Euler 351.88  21.68 148.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.796  0.551  0.491     93.815  5.06
   2      0.296  0.051  0.491     93.815  5.06

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #51 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.796  0.551  0.491     93.508  5.06   0.0      2     93.815/    93.815

   SET #2 of 8 TRIAL #52 of 66
   ---------------------------
   Ensemble helix_pdb Euler 168.90  35.29 142.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.704  0.121  0.719     94.088  4.99
   2      0.204  0.621  0.719     94.088  4.99

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #52 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.704  0.121  0.719     86.854  4.99   0.0      2     94.088/    94.088

   SET #2 of 8 TRIAL #53 of 66
   ---------------------------
   Ensemble helix_pdb Euler 168.78  39.95 163.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.708  0.812  0.515     96.788  5.48
   2      0.208  0.312  0.515     96.788  5.48

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #53 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.708  0.812  0.515     91.625  5.48   0.0      2     96.788/    96.788

   SET #2 of 8 TRIAL #54 of 66
   ---------------------------
   Ensemble helix_pdb Euler  10.68  27.05 148.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.843  0.164  0.461     97.529  5.16
   2      0.343  0.664  0.461     97.529  5.16
   3      0.779  0.662  0.476     97.528  5.16
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #54 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.786  0.656  0.488     86.823  4.88   0.0      4     95.794/    97.528
   2      0.700  0.614  0.260     84.367  4.55  11.2      2     93.775/    93.775
   3      0.843  0.164  0.461     73.998  5.16  13.5      2     97.529/    97.529

   SET #2 of 8 TRIAL #55 of 66
   ---------------------------
   Ensemble helix_pdb Euler 219.01  39.25 165.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.678  0.755  0.424     93.121  4.97
   2      0.178  0.255  0.424     93.121  4.97

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #55 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.678  0.755  0.424     86.383  4.97   0.0      2     93.121/    93.121

   SET #2 of 8 TRIAL #56 of 66
   ---------------------------
   Ensemble helix_pdb Euler 246.31  25.15 174.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.743  0.448  0.565     93.682  4.96
   2      0.243  0.948  0.565     93.682  4.96

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #56 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.243  0.948  0.565     89.245  4.96   0.0      2     93.682/    93.682

   SET #2 of 8 TRIAL #57 of 66
   ---------------------------
   Ensemble helix_pdb Euler 248.33  29.35 162.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.728  0.048  0.421     96.017  4.69
   2      0.228  0.548  0.421     96.017  4.69
   3      0.325  0.556  0.649     95.879  4.66
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #57 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.276  0.139  0.420     78.030  4.54   0.0      2     95.069/    95.069
   2      0.756  0.076  0.531     74.405  4.47   5.7      4     94.628/    94.769
   3      0.276  0.590  0.533     73.532  4.60  12.9      2     95.449/    95.449
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #58 of 66
   ---------------------------
   Ensemble helix_pdb Euler 188.54  36.06 151.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.699  0.403  0.390     95.660  5.19
   2      0.199  0.903  0.390     95.660  5.19
   3      0.693  0.400  0.385     94.159  4.94
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #58 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.199  0.903  0.390     72.700  5.19   0.0      4     95.660/    95.660

   SET #2 of 8 TRIAL #59 of 66
   ---------------------------
   Ensemble helix_pdb Euler 276.54  23.49 171.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.778  0.470  0.577     97.093  5.62
   2      0.278  0.970  0.577     97.093  5.62
   3      0.782  0.470  0.584     96.851  5.58
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #59 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.282  0.970  0.584     98.812  5.58   0.0      4     96.851/    97.093
   2      0.144  0.925  0.231     86.983  4.84  17.2      2     92.453/    92.453
   3      0.645  0.882  0.228     85.002  5.01   9.4      2     93.428/    93.428

   SET #2 of 8 TRIAL #60 of 66
   ---------------------------
   Ensemble helix_pdb Euler  29.93  26.47 156.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #61 of 66
   ---------------------------
   Ensemble helix_pdb Euler 217.47  27.18 176.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.255  0.027  0.673     93.439  4.82
   2      0.755  0.527  0.673     93.439  4.82

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #61 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.755  0.527  0.673     90.655  4.82   0.0      2     93.439/    93.439

   SET #2 of 8 TRIAL #62 of 66
   ---------------------------
   Ensemble helix_pdb Euler 152.55  30.04 150.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.725  0.557  0.825     98.510  4.87
   2      0.225  0.057  0.825     98.510  4.87
   3      0.732  0.552  0.833     96.933  4.61
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #62 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.225  0.057  0.825     77.499  4.87   0.0      4     98.510/    98.510
   2      0.239  0.046  0.614     74.025  4.15  14.2      2     94.075/    94.075
   3      0.725  0.980  0.824     73.347  4.60  44.4      2     96.842/    96.842

   SET #2 of 8 TRIAL #63 of 66
   ---------------------------
   Ensemble helix_pdb Euler 242.62  48.33 196.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #64 of 66
   ---------------------------
   Ensemble helix_pdb Euler 335.56  60.15 153.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 104.26 (TFZ=6.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.261  0.701  0.020     103.77  6.99
   2      0.761  0.201  0.020     103.77  6.99
   3      0.258  0.704  0.015      97.75  5.91
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #64 of 66
   0% 100%
   |==| DONE

   Packing LLG Translations: pass 1 of 1...
      8 peaks
      4 peaks over 104.258 checked for packing
      Translation peak 1 first to be kept
      Done
      Exit: found a peak that packs


   New Top (ML) Translation Function LLG = 107.94 (TFZ=7.0) at Trial #64

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.761  0.201  0.020     107.94  6.99   0.0      4     103.77/    103.77

   SET #2 of 8 TRIAL #65 of 66
   ---------------------------
   Ensemble helix_pdb Euler 302.48  34.53 174.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.352  0.244  0.407     92.788  4.90
   2      0.852  0.744  0.407     92.788  4.90

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #65 of 66
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.852  0.744  0.407     88.333  4.90   0.0      2     92.788/    92.788

   SET #2 of 8 TRIAL #66 of 66
   ---------------------------
   Ensemble helix_pdb Euler 285.32  35.80 173.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring


----------------------------
TRANSLATION FUNCTION #3 OF 8
----------------------------


   SOLU SET  RFZ=4.6 TFZ=3.6 PAK=0 LLG=59
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  273.2   35.5  137.9 FRAC -0.12  0.04 -0.40 BFAC -8.74
   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   88.2 RFZ  4.17

   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   87.5 RFZ  4.09

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   86.6 RFZ  3.99

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.535   25.925  148.923 RF   86.3 RFZ  3.97

   SOLU TRIAL ENSEMBLE helix_pdb EULER   51.869   24.857  151.761 RF   86.1 RFZ  3.94

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.424   24.033  161.846 RF   85.7 RFZ  3.90

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   85.6 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   85.4 RFZ  3.86

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   85.2 RFZ  3.84

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   85.1 RFZ  3.84

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   85.0 RFZ  3.83

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   85.0 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   84.7 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   84.7 RFZ  3.79

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   84.7 RFZ  3.79

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   84.5 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   84.5 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.201   26.601  163.128 RF   84.5 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   84.4 RFZ  3.76

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   84.3 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   84.2 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   84.0 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   84.0 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   84.0 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   83.9 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   83.9 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   83.8 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   83.8 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   83.8 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   83.8 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   83.7 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   83.6 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   83.5 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   83.4 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   83.3 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   83.3 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   83.1 RFZ  3.61

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   83.0 RFZ  3.61

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   82.8 RFZ  3.59

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   82.8 RFZ  3.59

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   82.7 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   82.7 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   82.5 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   82.5 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   82.4 RFZ  3.54

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   82.3 RFZ  3.53

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   82.2 RFZ  3.52

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   82.0 RFZ  3.50

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   81.9 RFZ  3.49

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   81.9 RFZ  3.49

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   81.9 RFZ  3.49

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   81.9 RFZ  3.49

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   81.6 RFZ  3.46

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   81.5 RFZ  3.45

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   81.5 RFZ  3.44

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   81.2 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   81.2 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   81.2 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   81.1 RFZ  3.40 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   81.0 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   81.0 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   81.0 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   80.7 RFZ  3.36 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   80.7 RFZ  3.36 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   80.6 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   80.6 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   80.6 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   80.5 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   80.4 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   80.3 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   29.925   26.470  156.022 RF   80.3 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   80.3 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   80.2 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   80.1 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   80.0 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   74.017   36.083  212.756 RF   80.0 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.387   20.578  161.440 RF   80.0 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   79.9 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   79.9 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   79.8 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   79.7 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  131.617   36.655  164.234 RF   79.7 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.771   36.460  172.722 RF   79.4 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.279   27.013  139.028 RF   79.4 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.844   29.075  162.258 RF   79.4 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.619   48.334  196.267 RF   79.4 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.203   35.142  161.594 RF   79.3 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.388   40.196  156.612 RF   79.2 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   79.2 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  147.239   28.399  136.646 RF   79.2 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   79.2 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.853   49.425  194.168 RF   79.1 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.561   28.504  159.572 RF   79.0 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.732   40.369  165.315 RF   79.0 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.581   30.297  164.048 RF   79.0 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.087   47.928  196.726 RF   78.9 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.649   35.266  161.001 RF   78.9 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.262   28.939  129.773 RF   78.9 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.791   32.132  146.853 RF   78.8 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.674   29.315  136.354 RF   78.8 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   82.174   32.079  212.797 RF   78.7 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   12.483   21.810  155.358 RF   78.6 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.047   28.565  158.082 RF   78.6 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.131   39.299  209.416 RF   78.6 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   21.857   46.476  196.197 RF   78.6 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  108.160   30.031  138.942 RF   78.6 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.398   57.665  177.443 RF   78.5 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.105   29.162  138.969 RF   78.5 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   78.4 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.705   28.038  181.965 RF   78.4 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.526   31.131  133.953 RF   78.3 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   88.596   14.547  113.772 RF   78.3 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.683   28.520  158.446 RF   78.3 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.760   41.761  152.978 RF   78.3 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.791   30.761  150.363 RF   78.3 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  353.579   30.665  168.047 RF   78.2 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.182   36.981  179.693 RF   78.2 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.302   50.743  192.838 RF   78.2 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  177.081   30.634  164.104 RF   78.2 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.257   30.048  168.017 RF   78.2 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.583   40.879  160.397 RF   78.2 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.765   26.601  136.983 RF   78.1 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  214.423   56.768  173.963 RF   78.1 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.453   21.186  136.283 RF   78.1 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.303   26.896  133.601 RF   78.1 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   93.410   30.408  100.003 RF   78.0 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.862   32.433  178.320 RF   78.0 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   49.289   33.293  141.902 RF   77.9 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.474   32.698  151.429 RF   77.9 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.828   31.579  154.758 RF   77.9 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  210.850   39.450  164.662 RF   77.8 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  182.024   40.582  148.556 RF   77.8 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.560   45.317  156.800 RF   77.8 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  139.502   30.142  154.811 RF   77.8 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.078   44.065  153.168 RF   77.7 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   38.861   16.401  156.062 RF   77.7 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   43.782   37.374  212.340 RF   77.7 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.743   34.377  143.791 RF   77.6 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.278   40.307  158.593 RF   77.5 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  251.757   23.300  178.313 RF   77.5 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.306   29.978  154.977 RF   77.4 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   14.334   23.518  135.651 RF   77.4 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.296   30.768  159.195 RF   77.4 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.724   13.530   93.504 RF   77.3 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.227   45.283  158.453 RF   77.3 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.460   21.314  150.409 RF   77.2 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  233.342   30.768  159.195 RF   77.2 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.275   54.297  181.356 RF   77.1 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.350   24.444   96.617 RF   77.1 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  218.966   34.600  185.712 RF   77.0 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.110   30.878  154.447 RF   76.9 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.974   29.645  155.250 RF   76.9 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.036   32.648  147.192 RF   76.9 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.483   42.272  158.790 RF   76.8 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.463   11.731  223.636 RF   76.8 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.308   53.759  154.829 RF   76.7 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.768   30.768  159.195 RF   76.7 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  186.873   43.841  170.156 RF   76.7 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.500   39.817  171.071 RF   76.7 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.035   34.851  174.050 RF   76.6 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.299   19.821  136.813 RF   76.6 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  212.936   41.167  203.145 RF   76.6 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  216.799   39.583  208.823 RF   76.6 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   17.831   18.414  140.969 RF   76.5 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   25.214   19.891  151.386 RF   76.5 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  273.241   25.466  218.527 RF   76.5 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.664   30.768  159.195 RF   76.5 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  323.822   26.217  181.423 RF   76.4 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.414    5.368  211.612 RF   76.3 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  120.330   37.137  144.780 RF   76.3 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  306.520   14.352   74.543 RF   76.3 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.820   38.127  146.797 RF   76.3 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  109.395   40.969  157.891 RF   76.2 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.224   25.260  140.714 RF   76.2 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.762   31.367  167.872 RF   76.2 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  116.193   13.908   85.859 RF   76.1 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.138   25.215  134.276 RF   76.1 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.618   30.768  159.195 RF   76.0 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  201.232   44.691  195.382 RF   75.9 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.664   28.496  175.086 RF   75.9 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.335   58.354  154.199 RF   75.9 RFZ  2.84 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   26.727   22.173  134.486 RF   75.9 RFZ  2.84 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  187.914   33.960  177.620 RF   75.9 RFZ  2.84 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  100.219   21.636  148.565 RF   75.8 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  167.554   53.753  165.358 RF   75.7 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  278.572   30.768  159.195 RF   75.7 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   39.722   18.231  145.587 RF   75.6 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    2.250   24.787  138.003 RF   75.6 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  344.179    5.412  189.431 RF   75.5 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.170   40.468  144.627 RF   75.5 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.583   29.426  173.150 RF   75.5 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.095   20.634  108.809 RF   75.5 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.392   19.880  167.093 RF   75.5 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.749   32.036  139.851 RF   75.4 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  338.494   31.758  176.517 RF   75.4 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.893   24.939  180.164 RF   75.3 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.480   30.768  159.195 RF   75.3 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  309.155   23.841  175.706 RF   75.3 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  305.879   28.560   99.448 RF   75.3 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  270.077   26.844  178.929 RF   75.3 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.443   43.194  171.864 RF   75.3 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  167.913   39.885  143.186 RF   75.2 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  171.632   44.458  159.325 RF   75.2 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  359.138   23.339  175.345 RF   75.2 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  261.465   30.958  211.704 RF   75.1 RFZ  2.76 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  215.092   52.358  172.249 RF   75.1 RFZ  2.76 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  175.847   53.623  167.751 RF   75.1 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.021   47.206  198.816 RF   75.0 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.724    9.032  130.621 RF   75.0 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.059   39.286  172.292 RF   75.0 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.592   42.873  152.005 RF   75.0 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  235.281   18.530  222.803 RF   75.0 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   35.719   33.639  180.082 RF   75.0 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.876   44.557  156.213 RF   75.0 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  245.347   32.164  155.672 RF   74.9 RFZ  2.73 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  200.885   37.243  147.962 RF   74.9 RFZ  2.73 # DEEP


   This TF set has 216 trial orientations


   #    Euler                  Rot-LLG      RF     RFZ  Ensemble
   1     260.3   25.9  169.4      89.1    88.2     4.2 helix_pdb
   2      61.8   25.2  150.8      88.7    87.5     4.1 helix_pdb
   3     154.7   35.4  158.0      86.6    86.6     4.0 helix_pdb
   4      81.5   25.9  148.9      87.4    86.3     4.0 helix_pdb
   5      51.9   24.9  151.8      88.3    86.1     3.9 helix_pdb
   6     330.4   24.0  161.8      86.5    85.7     3.9 helix_pdb
   7     105.0   25.8  143.1      85.5    85.6     3.9 helix_pdb
   8     254.3   27.7  166.2      86.8    85.4     3.9 helix_pdb
   9     119.8   27.8  146.6      86.5    85.2     3.8 helix_pdb
   10    311.9   26.5  162.4      87.0    85.1     3.8 helix_pdb
   11     95.2   25.2  143.9      85.6    85.0     3.8 helix_pdb
   12    144.5   34.2  148.9      87.7    85.0     3.8 helix_pdb
   13     65.1   29.9  146.5      86.9    84.7     3.8 helix_pdb
   14    114.5   26.4  142.5      85.1    84.7     3.8 helix_pdb
   15     68.5   27.2  153.3      85.5    84.7     3.8 helix_pdb
   16    266.4   24.0  172.4      84.7    84.5     3.8 helix_pdb
   17    130.9   39.3  153.8      85.5    84.5     3.8 helix_pdb
   18    302.2   26.6  163.1      86.6    84.5     3.8 helix_pdb
   19    138.4   28.8  146.0      86.5    84.4     3.8 helix_pdb
   20     66.9   34.6  143.2      86.4    84.3     3.7 helix_pdb
   21    136.3   40.2  158.3      84.7    84.2     3.7 helix_pdb
   22    240.9   26.8  170.8      85.8    84.0     3.7 helix_pdb
   23    332.6   27.0  170.3      85.4    84.0     3.7 helix_pdb
   24    281.6   33.4  166.5      84.8    84.0     3.7 helix_pdb
   25    231.2   27.3  171.5      85.0    83.9     3.7 helix_pdb
   26     98.1   38.3  149.4      85.5    83.9     3.7 helix_pdb
   27    161.0   30.0  141.4      84.2    83.8     3.7 helix_pdb
   28     41.8   24.6  152.9      86.1    83.8     3.7 helix_pdb
   29    170.1   30.7  141.5      83.9    83.8     3.7 helix_pdb
   30    290.4   33.1  166.7      84.7    83.8     3.7 helix_pdb
   31    133.6   27.8  141.5      84.4    83.7     3.7 helix_pdb
   32     89.7   37.8  148.5      85.1    83.6     3.7 helix_pdb
   33    114.5   38.8  151.6      84.0    83.5     3.7 helix_pdb
   34    238.5   34.6  163.9      83.9    83.4     3.6 helix_pdb
   35    125.0   29.0  150.7      85.2    83.3     3.6 helix_pdb
   36     56.3   20.6  156.8      84.8    83.3     3.6 helix_pdb
   37    331.0   25.5  151.2      83.5    83.1     3.6 helix_pdb
   38      1.1   24.0  157.9      83.8    83.0     3.6 helix_pdb
   39     72.9   36.8  146.8      85.1    82.8     3.6 helix_pdb
   40    243.8   38.1  168.7      83.6    82.8     3.6 helix_pdb
   41    226.1   28.7  167.3      83.2    82.7     3.6 helix_pdb
   42    179.4   35.7  151.0      85.0    82.7     3.6 helix_pdb
   43    217.5   27.2  176.3      81.7    82.5     3.6 helix_pdb
   44     10.7   27.0  148.4      82.3    82.5     3.5 helix_pdb
   45    350.9   26.2  159.2      83.6    82.4     3.5 helix_pdb
   46    351.9   21.7  148.5      82.6    82.3     3.5 helix_pdb
   47    276.5   23.5  171.3      82.2    82.2     3.5 helix_pdb
   48    286.9   23.0  169.8      82.9    82.0     3.5 helix_pdb
   49    316.8   32.1  167.6      83.8    81.9     3.5 helix_pdb
   50     30.4   24.9  165.3      82.6    81.9     3.5 helix_pdb
   51    168.9   35.3  142.5      82.5    81.9     3.5 helix_pdb
   52     86.2   34.2  153.4      84.1    81.9     3.5 helix_pdb
   53    296.4   20.6  159.3      82.8    81.6     3.5 helix_pdb
   54    246.3   25.1  174.6      82.3    81.5     3.5 helix_pdb
   55    335.6   60.2  153.7      82.2    81.5     3.4 helix_pdb
   ----- angles below here for deep search only -----
   56    165.5   35.6  167.6      81.3    81.2     3.4 helix_pdb
   57    174.8   35.2  168.2      81.2    81.2     3.4 helix_pdb
   58    322.8   28.6  160.3      82.3    81.2     3.4 helix_pdb
   59    302.5   34.5  174.6      81.7    81.1     3.4 helix_pdb
   60    155.4   40.0  157.0      80.4    81.0     3.4 helix_pdb
   61    168.8   39.9  163.1      82.4    81.0     3.4 helix_pdb
   62    219.0   39.2  165.8      82.3    81.0     3.4 helix_pdb
   63    207.9   27.9  176.7      80.0    80.7     3.4 helix_pdb
   64     27.1   27.8  147.5      81.1    80.7     3.4 helix_pdb
   65    285.3   35.8  173.3      81.6    80.6     3.4 helix_pdb
   66    248.3   29.3  162.7      81.8    80.6     3.4 helix_pdb
   67     94.9   34.5  153.8      83.0    80.6     3.3 helix_pdb
   68    188.5   36.1  151.9      82.1    80.5     3.3 helix_pdb
   69     10.9   21.0  165.8      80.6    80.4     3.3 helix_pdb
   70    260.3   37.3  170.7      80.2    80.3     3.3 helix_pdb
   71     29.9   26.5  156.0      81.1    80.3     3.3 helix_pdb
   72    352.1   21.6  169.2      80.1    80.3     3.3 helix_pdb
   73    163.6   40.0  158.2      80.5    80.2     3.3 helix_pdb
   74    248.5   40.7  162.8      81.0    80.1     3.3 helix_pdb
   75    221.3   35.0  162.8      80.8    80.0     3.3 helix_pdb
   76     74.0   36.1  212.8      80.9    80.0     3.3 helix_pdb
   77    285.4   20.6  161.4      78.9    80.0     3.3 helix_pdb
   78    152.6   30.0  150.4      81.3    79.9     3.3 helix_pdb
   79    232.6   37.5  171.1      81.3    79.9     3.3 helix_pdb
   80     60.8   26.6  129.6      80.3    79.8     3.3 helix_pdb
   81     42.6   32.8  151.2      81.3    79.7     3.3 helix_pdb
   82    131.6   36.7  164.2      80.7    79.7     3.2 helix_pdb
   83    276.8   36.5  172.7      79.9    79.4     3.2 helix_pdb
   84     31.3   27.0  139.0      79.6    79.4     3.2 helix_pdb
   85    266.8   29.1  162.3      79.9    79.4     3.2 helix_pdb
   86    242.6   48.3  196.3      81.9    79.4     3.2 helix_pdb
   87    204.2   35.1  161.6      80.8    79.3     3.2 helix_pdb
   88    183.4   40.2  156.6      79.3    79.2     3.2 helix_pdb
   89     35.0   58.5  174.9      80.0    79.2     3.2 helix_pdb
   90    147.2   28.4  136.6      79.4    79.2     3.2 helix_pdb
   91    224.3   30.8  179.4      78.7    79.2     3.2 helix_pdb
   92     55.9   49.4  194.2      81.3    79.1     3.2 helix_pdb
   93    341.6   28.5  159.6      79.3    79.0     3.2 helix_pdb
   94    264.7   40.4  165.3      79.6    79.0     3.2 helix_pdb
   95    192.6   30.3  164.0      78.5    79.0     3.2 helix_pdb
   96     63.1   47.9  196.7      81.3    78.9     3.2 helix_pdb
   97    195.6   35.3  161.0      79.5    78.9     3.2 helix_pdb
   98     79.3   28.9  129.8      79.1    78.9     3.2 helix_pdb
   99    194.8   32.1  146.9      79.2    78.8     3.2 helix_pdb
   100   156.7   29.3  136.4      78.5    78.8     3.2 helix_pdb
   101    82.2   32.1  212.8      80.3    78.7     3.1 helix_pdb
   102    12.5   21.8  155.4      78.8    78.6     3.1 helix_pdb
   103    19.0   28.6  158.1      78.8    78.6     3.1 helix_pdb
   104    37.1   39.3  209.4      78.6    78.6     3.1 helix_pdb
   105    21.9   46.5  196.2      79.7    78.6     3.1 helix_pdb
   106   108.2   30.0  138.9      78.5    78.6     3.1 helix_pdb
   107    42.4   57.7  177.4      79.7    78.5     3.1 helix_pdb
   108    99.1   29.2  139.0      78.5    78.5     3.1 helix_pdb
   109   207.4   29.4  167.8      78.6    78.4     3.1 helix_pdb
   110   304.7   28.0  182.0      77.8    78.4     3.1 helix_pdb
   111    84.5   31.1  134.0      78.1    78.3     3.1 helix_pdb
   112    88.6   14.5  113.8      79.4    78.3     3.1 helix_pdb
   113     9.7   28.5  158.4      78.8    78.3     3.1 helix_pdb
   114   209.8   41.8  153.0      78.4    78.3     3.1 helix_pdb
   115   170.8   30.8  150.4      79.6    78.3     3.1 helix_pdb
   116   353.6   30.7  168.0      78.7    78.2     3.1 helix_pdb
   117   206.2   37.0  179.7      78.3    78.2     3.1 helix_pdb
   118   194.3   50.7  192.8      79.7    78.2     3.1 helix_pdb
   119   177.1   30.6  164.1      77.7    78.2     3.1 helix_pdb
   120     9.3   30.0  168.0      78.3    78.2     3.1 helix_pdb
   121   125.6   40.9  160.4      78.3    78.2     3.1 helix_pdb
   122   128.8   26.6  137.0      78.1    78.1     3.1 helix_pdb
   123   214.4   56.8  174.0      78.7    78.1     3.1 helix_pdb
   124    84.5   21.2  136.3      79.8    78.1     3.1 helix_pdb
   125    47.3   26.9  133.6      78.7    78.1     3.1 helix_pdb
   126    93.4   30.4  100.0      79.7    78.0     3.1 helix_pdb
   127   206.9   32.4  178.3      77.8    78.0     3.1 helix_pdb
   128    49.3   33.3  141.9      79.2    77.9     3.1 helix_pdb
   129   221.5   32.7  151.4      78.1    77.9     3.1 helix_pdb
   130   209.8   31.6  154.8      77.3    77.9     3.1 helix_pdb
   131   210.9   39.5  164.7      78.6    77.8     3.1 helix_pdb
   132   182.0   40.6  148.6      77.5    77.8     3.0 helix_pdb
   133   197.6   45.3  156.8      79.1    77.8     3.0 helix_pdb
   134   139.5   30.1  154.8      79.3    77.8     3.0 helix_pdb
   135   140.1   44.1  153.2      79.8    77.7     3.0 helix_pdb
   136    38.9   16.4  156.1      79.9    77.7     3.0 helix_pdb
   137    43.8   37.4  212.3      77.4    77.7     3.0 helix_pdb
   138    37.7   34.4  143.8      79.2    77.6     3.0 helix_pdb
   139   197.3   40.3  158.6      78.0    77.5     3.0 helix_pdb
   140   251.8   23.3  178.3      77.2    77.5     3.0 helix_pdb
   141   130.3   30.0  155.0      78.8    77.4     3.0 helix_pdb
   142    14.3   23.5  135.7      78.3    77.4     3.0 helix_pdb
   143   224.3   30.8  159.2      77.1    77.4     3.0 helix_pdb
   144   287.7   13.5   93.5      77.2    77.3     3.0 helix_pdb
   145   206.2   45.3  158.5      79.6    77.3     3.0 helix_pdb
   146    89.5   21.3  150.4      77.6    77.2     3.0 helix_pdb
   147   233.3   30.8  159.2      76.7    77.2     3.0 helix_pdb
   148   227.3   54.3  181.4      79.5    77.1     3.0 helix_pdb
   149   300.4   24.4   96.6      79.4    77.1     3.0 helix_pdb
   150   219.0   34.6  185.7      77.2    77.0     3.0 helix_pdb
   151   176.1   30.9  154.4      78.2    76.9     2.9 helix_pdb
   152   112.0   29.6  155.3      78.1    76.9     2.9 helix_pdb
   153   204.0   32.6  147.2      77.1    76.9     2.9 helix_pdb
   154   242.5   42.3  158.8      76.4    76.8     2.9 helix_pdb
   155    72.5   11.7  223.6      78.0    76.8     2.9 helix_pdb
   156   156.3   53.8  154.8      78.5    76.7     2.9 helix_pdb
   157   153.8   30.8  159.2      77.5    76.7     2.9 helix_pdb
   158   186.9   43.8  170.2      77.4    76.7     2.9 helix_pdb
   159   174.5   39.8  171.1      78.1    76.7     2.9 helix_pdb
   160   179.0   34.9  174.0      77.2    76.6     2.9 helix_pdb
   161    37.3   19.8  136.8      75.2    76.6     2.9 helix_pdb
   162   212.9   41.2  203.1      77.7    76.6     2.9 helix_pdb
   163   216.8   39.6  208.8      77.2    76.6     2.9 helix_pdb
   164    17.8   18.4  141.0      76.7    76.5     2.9 helix_pdb
   165    25.2   19.9  151.4      77.3    76.5     2.9 helix_pdb
   166   273.2   25.5  218.5      77.7    76.5     2.9 helix_pdb
   167   296.7   30.8  159.2      75.3    76.5     2.9 helix_pdb
   168   323.8   26.2  181.4      76.6    76.4     2.9 helix_pdb
   169   101.4    5.4  211.6      77.4    76.3     2.9 helix_pdb
   170   120.3   37.1  144.8      76.4    76.3     2.9 helix_pdb
   171   306.5   14.4   74.5      76.6    76.3     2.9 helix_pdb
   172   136.8   38.1  146.8      77.5    76.3     2.9 helix_pdb
   173   109.4   41.0  157.9      76.0    76.2     2.9 helix_pdb
   174    52.2   25.3  140.7      76.7    76.2     2.9 helix_pdb
   175   155.8   31.4  167.9      76.4    76.2     2.9 helix_pdb
   176   116.2   13.9   85.9      77.4    76.1     2.9 helix_pdb
   177    31.1   25.2  134.3      78.2    76.1     2.9 helix_pdb
   178   287.6   30.8  159.2      74.5    76.0     2.9 helix_pdb
   179   201.2   44.7  195.4      78.4    75.9     2.8 helix_pdb
   180   350.7   28.5  175.1      76.8    75.9     2.8 helix_pdb
   181   156.3   58.4  154.2      77.2    75.9     2.8 helix_pdb
   182    26.7   22.2  134.5      77.1    75.9     2.8 helix_pdb
   183   187.9   34.0  177.6      76.7    75.9     2.8 helix_pdb
   184   100.2   21.6  148.6      75.6    75.8     2.8 helix_pdb
   185   167.6   53.8  165.4      76.5    75.7     2.8 helix_pdb
   186   278.6   30.8  159.2      74.6    75.7     2.8 helix_pdb
   187    39.7   18.2  145.6      75.8    75.6     2.8 helix_pdb
   188     2.3   24.8  138.0      76.2    75.6     2.8 helix_pdb
   189   344.2    5.4  189.4      76.5    75.5     2.8 helix_pdb
   190   176.2   40.5  144.6      74.9    75.5     2.8 helix_pdb
   191   192.6   29.4  173.2      76.6    75.5     2.8 helix_pdb
   192   101.1   20.6  108.8      75.8    75.5     2.8 helix_pdb
   193   316.4   19.9  167.1      76.4    75.5     2.8 helix_pdb
   194   239.7   32.0  139.9      76.2    75.4     2.8 helix_pdb
   195   338.5   31.8  176.5      75.1    75.4     2.8 helix_pdb
   196   231.9   24.9  180.2      75.4    75.3     2.8 helix_pdb
   197   260.5   30.8  159.2      75.1    75.3     2.8 helix_pdb
   198   309.2   23.8  175.7      74.4    75.3     2.8 helix_pdb
   199   305.9   28.6   99.4      77.6    75.3     2.8 helix_pdb
   200   270.1   26.8  178.9      75.5    75.3     2.8 helix_pdb
   201   195.4   43.2  171.9      75.2    75.3     2.8 helix_pdb
   202   167.9   39.9  143.2      74.9    75.2     2.8 helix_pdb
   203   171.6   44.5  159.3      75.5    75.2     2.8 helix_pdb
   204   359.1   23.3  175.3      75.3    75.2     2.8 helix_pdb
   205   261.5   31.0  211.7      78.1    75.1     2.8 helix_pdb
   206   215.1   52.4  172.2      76.1    75.1     2.8 helix_pdb
   207   175.8   53.6  167.8      76.4    75.1     2.8 helix_pdb
   208    30.0   47.2  198.8      76.0    75.0     2.7 helix_pdb
   209    63.7    9.0  130.6      77.6    75.0     2.7 helix_pdb
   210   183.1   39.3  172.3      75.2    75.0     2.7 helix_pdb
   211   219.6   42.9  152.0      75.7    75.0     2.7 helix_pdb
   212   235.3   18.5  222.8      76.5    75.0     2.7 helix_pdb
   213    35.7   33.6  180.1      71.7    75.0     2.7 helix_pdb
   214   155.9   44.6  156.2      76.6    75.0     2.7 helix_pdb
   215   245.3   32.2  155.7      74.4    74.9     2.7 helix_pdb
   216   200.9   37.2  148.0      75.5    74.9     2.7 helix_pdb

      55 trial orientations in initial search
      161 trial orientations in deep search


   Scoring 648 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #3 of 8
   0%         100%
   |===========| DONE

   Mean Score (Sigma):       34.86   ( 9.83)

   SET #3 of 8 TRIAL #1 of 55
   --------------------------
   Ensemble helix_pdb Euler 260.25  25.95 169.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 84 sites over 67.5% of top
   84 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.360  0.402  0.162     101.47  4.74
   2      0.860  0.902  0.162     101.47  4.74
   3      0.579  0.259  0.433     101.20  4.70
   #Sites = 84: output truncated to 3 sites

   Top 84 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #1 of 55
   0%   100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 29 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.563  0.875  0.839     88.701  4.47   0.0      4     99.834/    99.834
   2      0.815  0.763  0.738     86.465  4.36  28.0      2     99.163/    99.163
   3      0.969  0.259  0.145     84.974  3.92  30.4      2     96.490/    96.490
   #SITES = 29: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #2 of 55
   --------------------------
   Ensemble helix_pdb Euler  61.81  25.19 150.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 86 sites over 67.5% of top
   86 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.720  0.331  0.536     103.81  5.19
   2      0.220  0.831  0.536     103.81  5.19
   3      0.590  0.409  0.980     101.94  4.88
   #Sites = 86: output truncated to 3 sites

   Top 86 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #2 of 55
   0%   100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 24 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.720  0.331  0.536     88.830  5.19   0.0      4     103.81/    103.81
   2      0.557  0.754  0.211     87.864  4.32  18.8      4      98.58/     99.23
   3      0.130  0.778  0.092     86.272  4.40  21.0      4      99.01/     99.01
   #SITES = 24: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #3 of 55
   --------------------------
   Ensemble helix_pdb Euler 154.74  35.36 158.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 60 sites over 67.5% of top
   60 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.546  0.297  0.325     100.83  4.75
   2      0.046  0.797  0.325     100.83  4.75
   3      0.447  0.213  0.877     100.52  4.70
   #Sites = 60: output truncated to 3 sites

   Top 60 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #3 of 55
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 20 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.552  0.301  0.333     86.901  4.65   0.0      4     100.18/    100.83
   2      0.947  0.713  0.877     83.413  4.70  31.5      2     100.52/    100.52
   3      0.012  0.807  0.329     82.457  3.84  33.2      4      95.34/     95.70
   #SITES = 20: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #4 of 55
   --------------------------
   Ensemble helix_pdb Euler  81.53  25.92 148.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 58 sites over 67.5% of top
   58 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.596  0.183  0.043     98.836  4.58
   2      0.096  0.683  0.043     98.836  4.58
   3      0.657  0.883  0.429     98.429  4.51
   #Sites = 58: output truncated to 3 sites

   Top 58 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #4 of 55
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 20 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.110  0.432  0.767     87.083  4.40   0.0      2     97.773/    97.773
   2      0.992  0.928  0.546     84.176  4.00  16.1      4     95.313/    95.313
   3      0.609  0.415  0.767     81.764  3.96  46.0      2     95.074/    95.074
   #SITES = 20: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #5 of 55
   --------------------------
   Ensemble helix_pdb Euler  51.87  24.86 151.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 40 sites over 67.5% of top
   40 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.695  0.855  0.206     98.947  4.74
   2      0.195  0.355  0.206     98.947  4.74
   3      0.432  0.796  0.424     98.102  4.60
   #Sites = 40: output truncated to 3 sites

   Top 40 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #5 of 55
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 15 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.932  0.296  0.424     84.370  4.60   0.0      2     98.102/    98.102
   2      0.058  0.218  0.202     83.333  4.08  23.2      2     94.979/    94.979
   3      0.626  0.818  0.315     81.802  4.04  26.9      2     94.777/    94.777
   #SITES = 15: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #6 of 55
   --------------------------
   Ensemble helix_pdb Euler 330.42  24.03 161.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 26 sites over 67.5% of top
   26 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.584  0.453  0.734     99.083  4.93
   2      0.084  0.953  0.734     99.083  4.93
   3      0.825  0.342  0.591     98.521  4.83
   #Sites = 26: output truncated to 3 sites

   Top 26 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #6 of 55
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 12 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.825  0.342  0.591     83.334  4.83   0.0      2     98.521/    98.521
   2      0.583  0.351  0.962     82.339  4.48  30.7      2     96.409/    96.409
   3      0.325  0.164  0.092     81.041  4.61  31.3      2     97.191/    97.191
   #SITES = 12: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #7 of 55
   --------------------------
   Ensemble helix_pdb Euler 105.00  25.77 143.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 32 sites over 67.5% of top
   32 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.608  0.390  0.107     103.02  5.53
   2      0.108  0.890  0.107     103.02  5.53
   3      0.609  0.939  0.106     102.49  5.44
   #Sites = 32: output truncated to 3 sites

   Top 32 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #7 of 55
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.981  0.998  0.555     89.211  4.79   0.0      4     98.600/    98.600
   2      0.608  0.390  0.107     87.824  5.53  28.6      2    103.023/   103.023
   3      0.441  0.545  0.468     83.367  4.13  39.5      2     94.671/    94.671
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #8 of 55
   --------------------------
   Ensemble helix_pdb Euler 254.25  27.73 166.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 82 sites over 67.5% of top
   82 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.532  0.974  0.037     101.39  4.93
   2      0.032  0.474  0.037     101.39  4.93
   3      0.530  0.849  0.038     100.71  4.82
   #Sites = 82: output truncated to 3 sites

   Top 82 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #8 of 55
   0%   100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 31 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.945  0.294  0.137     81.204  4.03   0.0      2     95.866/    95.866
   2      0.296  0.305  0.734     79.405  4.02  28.2      2     95.798/    95.798
   3      0.590  0.899  0.147     78.984  4.43  34.4      2     98.339/    98.339
   #SITES = 31: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #9 of 55
   --------------------------
   Ensemble helix_pdb Euler 119.80  27.80 146.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 24 sites over 67.5% of top
   24 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.782  0.519  0.000     99.896  4.79
   2      0.282  0.019  0.000     99.896  4.79
   3      0.574  0.905  0.776     98.462  4.55
   #Sites = 24: output truncated to 3 sites

   Top 24 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #9 of 55
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.074  0.405  0.776     87.954  4.55   0.0      4     98.462/    98.462
   2      0.282  0.019  0.000     84.751  4.79  17.4      2     99.896/    99.896
   3      0.120  0.972  0.432     84.574  4.03  17.2      2     95.353/    95.353
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #10 of 55
   ---------------------------
   Ensemble helix_pdb Euler 311.90  26.45 162.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 60 sites over 67.5% of top
   60 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.559  0.463  0.944     100.59  4.87
   2      0.059  0.963  0.944     100.59  4.87
   3      0.638  0.417  0.384     100.10  4.79
   #Sites = 60: output truncated to 3 sites

   Top 60 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #10 of 55
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 21 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.681  0.448  0.493     82.217  4.46   0.0      2     98.074/    98.074
   2      0.135  0.918  0.380     81.296  4.14  17.4      4     96.118/   100.098
   3      0.559  0.463  0.944     81.211  4.87  21.6      2    100.586/   100.586
   #SITES = 21: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #11 of 55
   ---------------------------
   Ensemble helix_pdb Euler  95.22  25.15 143.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 28 sites over 67.5% of top
   28 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.619  0.377  0.107     101.18  5.27
   2      0.119  0.877  0.107     101.18  5.27
   3      0.621  0.916  0.106      99.01  4.90
   #Sites = 28: output truncated to 3 sites

   Top 28 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #11 of 55
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.619  0.377  0.107     86.482  5.27   0.0      2     101.18/    101.18
   2      0.993  0.978  0.554     86.433  4.55  28.7      4      96.92/     96.92
   3      0.110  0.477  0.774     82.546  4.20  21.1      2      94.83/     94.83
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #12 of 55
   ---------------------------
   Ensemble helix_pdb Euler 144.54  34.20 148.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 42 sites over 67.5% of top
   42 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.717  0.442  0.877     99.560  4.81
   2      0.217  0.942  0.877     99.560  4.81
   3      0.487  0.151  0.930     99.226  4.76
   #Sites = 42: output truncated to 3 sites

   Top 42 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #12 of 55
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 19 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.501  0.827  0.653     82.698  4.21   0.0      2     95.877/    95.877
   2      0.534  0.173  0.050     82.459  4.37  22.6      2     96.846/    96.846
   3      0.217  0.942  0.877     82.263  4.81  37.1      2     99.560/    99.560
   #SITES = 19: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #13 of 55
   ---------------------------
   Ensemble helix_pdb Euler  65.08  29.91 146.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.346  0.776  0.975     98.713  4.90
   2      0.846  0.276  0.975     98.713  4.90
   3      0.600  0.190  0.307     96.121  4.46
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #13 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.904  0.772  0.866     81.714  4.19   0.0      2     94.516/    94.516
   2      0.600  0.190  0.307     81.434  4.46  29.3      2     96.121/    96.121
   3      0.575  0.725  0.639     81.093  4.41  23.8      2     95.823/    95.823
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #14 of 55
   ---------------------------
   Ensemble helix_pdb Euler 114.54  26.45 142.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 20 sites over 67.5% of top
   20 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.597  0.539  0.108     101.83  5.42
   2      0.097  0.039  0.108     101.83  5.42
   3      0.597  0.953  0.106      99.88  5.09
   #Sites = 20: output truncated to 3 sites

   Top 20 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #14 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.472  0.509  0.558     87.402  4.41   0.0      2     95.810/    95.810
   2      0.597  0.539  0.108     84.408  5.42  25.8      4    101.833/   101.833
   3      0.595  0.399  0.108     82.335  4.87  25.8      2     98.570/    98.570
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #15 of 55
   ---------------------------
   Ensemble helix_pdb Euler  68.53  27.20 153.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 68 sites over 67.5% of top
   68 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.657  0.837  0.418     102.51  5.18
   2      0.157  0.337  0.418     102.51  5.18
   3      0.629  0.806  0.092     100.00  4.77
   #Sites = 68: output truncated to 3 sites

   Top 68 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #15 of 55
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 19 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.037  0.258  0.205     87.034  4.65   0.0      4     99.273/    99.273
   2      0.657  0.837  0.418     86.075  5.18  24.5      2    102.515/   102.515
   3      0.629  0.806  0.092     85.703  4.77  35.2      4    100.005/   100.005
   #SITES = 19: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #16 of 55
   ---------------------------
   Ensemble helix_pdb Euler 266.43  24.03 172.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.366  0.334  0.393     96.312  4.75
   2      0.866  0.834  0.393     96.312  4.75
   3      0.611  0.814  0.164     96.054  4.70
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #16 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.607  0.092  0.113     80.711  4.41   0.0      2     94.345/    94.345
   2      0.366  0.334  0.393     80.543  4.75  30.4      2     96.312/    96.312
   3      0.380  0.383  0.169     80.187  4.44  19.9      2     94.508/    94.508
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #17 of 55
   ---------------------------
   Ensemble helix_pdb Euler 130.85  39.28 153.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.497  0.821  0.869     96.856  5.00
   2      0.997  0.321  0.869     96.856  5.00
   3      0.497  0.367  0.868     95.938  4.85
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #17 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.997  0.321  0.869     82.309  5.00   0.0      2     96.856/    96.856
   2      0.997  0.181  0.868     81.958  4.73   3.3      2     95.273/    95.273
   3      0.201  0.373  0.643     81.723  4.69  25.0      2     95.042/    95.042
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #18 of 55
   ---------------------------
   Ensemble helix_pdb Euler 302.20  26.60 163.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 44 sites over 67.5% of top
   44 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.546  0.437  0.938     99.989  4.90
   2      0.046  0.937  0.938     99.989  4.90
   3      0.552  0.960  0.276     99.153  4.77
   #Sites = 44: output truncated to 3 sites

   Top 44 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #18 of 55
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 16 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.577  0.185  0.993     81.853  4.31   0.0      2     96.322/    96.322
   2      0.173  0.920  0.494     79.592  4.21  30.1      4     95.732/    96.729
   3      0.672  0.921  0.492     79.525  4.21  24.6      4     95.746/    95.746
   #SITES = 16: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #19 of 55
   ---------------------------
   Ensemble helix_pdb Euler 138.41  28.85 146.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.760  0.509  0.005     99.232  4.83
   2      0.260  0.009  0.005     99.232  4.83
   3      0.385  0.516  0.453     95.947  4.28
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #19 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.760  0.509  0.005     82.463  4.83   0.0      4     99.232/    99.232
   2      0.885  0.016  0.453     81.152  4.28  25.6      4     95.947/    95.947
   3      0.758  0.101  0.222     81.030  4.22  16.9      2     95.601/    95.601
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #20 of 55
   ---------------------------
   Ensemble helix_pdb Euler  66.88  34.65 143.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.841  0.214  0.968     99.334  5.17
   2      0.341  0.714  0.968     99.334  5.17
   3      0.676  0.716  0.868     98.970  5.11
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #20 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.176  0.216  0.868     89.840  5.11   0.0      2     98.970/    98.970
   2      0.841  0.214  0.968     88.407  5.17  35.4      2     99.334/    99.334
   3      0.970  0.623  0.424     83.159  4.46  17.2      2     95.198/    95.198
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #21 of 55
   ---------------------------
   Ensemble helix_pdb Euler 136.29  40.23 158.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.473  0.173  0.868     97.925  5.08
   2      0.973  0.673  0.868     97.925  5.08
   3      0.425  0.160  0.751     96.206  4.79
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #21 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.609  0.752  0.422     88.690  4.69   0.0      2     95.632/    95.632
   2      0.925  0.660  0.751     84.231  4.79  22.4      2     96.206/    96.206
   3      0.973  0.673  0.868     84.203  5.08  26.5      2     97.925/    97.925
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #22 of 55
   ---------------------------
   Ensemble helix_pdb Euler 240.92  26.84 170.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.536  0.825  0.372     97.656  4.82
   2      0.036  0.325  0.372     97.656  4.82
   3      0.555  0.940  0.932     96.070  4.55
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #22 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.157  0.890  0.591     82.820  4.53   0.0      4     95.916/    95.916
   2      0.055  0.440  0.932     79.969  4.55  27.6      2     96.070/    96.070
   3      0.536  0.825  0.372     79.032  4.82  26.9      2     97.656/    97.656
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #23 of 55
   ---------------------------
   Ensemble helix_pdb Euler 332.57  27.01 170.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.672  0.533  0.851     95.272  4.63
   2      0.172  0.033  0.851     95.272  4.63

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #23 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.172  0.033  0.851     85.884  4.63   0.0      2     95.272/    95.272

   SET #3 of 8 TRIAL #24 of 55
   ---------------------------
   Ensemble helix_pdb Euler 281.57  33.45 166.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.554  0.027  0.034     96.637  4.57
   2      0.054  0.527  0.034     96.637  4.57
   3      0.433  0.988  0.482     96.551  4.56
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #24 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.933  0.488  0.482     84.903  4.56   0.0      2     96.551/    96.551
   2      0.975  0.515  0.594     83.125  4.50   5.5      2     96.173/    96.173
   3      0.095  0.473  0.358     82.858  4.32  12.0      2     95.086/    95.086
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #25 of 55
   ---------------------------
   Ensemble helix_pdb Euler 231.17  27.28 171.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.564  0.873  0.148     98.809  4.91
   2      0.064  0.373  0.148     98.809  4.91
   3      0.469  0.342  0.593     97.547  4.69
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #25 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.962  0.837  0.584     84.164  4.54   0.0      4     96.665/    97.547
   2      0.644  0.402  0.584     81.668  4.44  31.2      2     96.122/    96.122
   3      0.564  0.873  0.148     81.152  4.91  28.4      2     98.809/    98.809
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #26 of 55
   ---------------------------
   Ensemble helix_pdb Euler  98.11  38.34 149.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.530  0.191  0.193     96.308  4.83
   2      0.030  0.691  0.193     96.308  4.83
   3      0.789  0.319  0.414     95.652  4.72
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #26 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.030  0.691  0.193     83.389  4.83   0.0      2     96.308/    96.308
   2      0.685  0.805  0.524     78.579  4.46  20.3      2     94.171/    94.171
   3      0.289  0.819  0.414     76.219  4.72  18.6      2     95.652/    95.652

   SET #3 of 8 TRIAL #27 of 55
   ---------------------------
   Ensemble helix_pdb Euler 160.97  29.98 141.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.369  0.931  0.019     96.677  4.57
   2      0.869  0.431  0.019     96.677  4.57
   3      0.293  0.985  0.123     95.585  4.38
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #27 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.869  0.431  0.019     86.357  4.57   0.0      2     96.677/    96.677
   2      0.923  0.982  0.577     85.706  4.34  33.3      2     95.362/    95.362
   3      0.705  0.895  0.621     83.364  4.24  22.3      2     94.787/    94.787
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #28 of 55
   ---------------------------
   Ensemble helix_pdb Euler  41.80  24.60 152.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 22 sites over 67.5% of top
   22 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.400  0.718  0.590     96.380  4.84
   2      0.900  0.218  0.590     96.380  4.84
   3      0.630  0.779  0.315     95.339  4.67
   #Sites = 22: output truncated to 3 sites

   Top 22 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #28 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.630  0.779  0.315     83.839  4.67   0.0      2     95.339/    95.339
   2      0.708  0.259  0.977     79.931  4.64  26.5      4     95.164/    95.318
   3      0.827  0.598  0.381     79.270  4.51  16.4      2     94.421/    94.421
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #29 of 55
   ---------------------------
   Ensemble helix_pdb Euler 170.10  30.70 141.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.398  0.452  0.119     96.476  4.48
   2      0.898  0.952  0.119     96.476  4.48
   3      0.693  0.864  0.622     96.475  4.48
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #29 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.505  0.404  0.801     86.075  4.26   0.0      2     95.191/    95.191
   2      0.912  0.965  0.576     85.934  4.35  31.2      2     95.679/    95.679
   3      0.288  0.566  0.347     85.045  4.25  22.4      2     95.135/    95.135
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #30 of 55
   ---------------------------
   Ensemble helix_pdb Euler 290.39  33.10 166.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.443  0.999  0.487     96.192  4.48
   2      0.943  0.499  0.487     96.192  4.48
   3      0.552  0.092  0.483     95.990  4.44
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #30 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.443  0.996  0.486     81.865  4.32   0.0      4     95.248/    96.192
   2      0.986  0.283  0.864     76.408  4.28  31.2      4     94.986/    94.986
   3      0.563  0.030  0.036     75.119  4.28  29.0      2     95.019/    95.019
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #31 of 55
   ---------------------------
   Ensemble helix_pdb Euler 133.57  27.81 141.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.780  0.553  0.009     95.020  4.61
   2      0.280  0.053  0.009     95.020  4.61
   3      0.497  0.487  0.682     94.433  4.51
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #31 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.905  0.058  0.460     86.637  4.45   0.0      2     94.061/    94.061
   2      0.997  0.987  0.682     84.491  4.51  10.9      2     94.433/    94.433
   3      0.780  0.553  0.009     83.228  4.61  25.8      2     95.020/    95.020

   SET #3 of 8 TRIAL #32 of 55
   ---------------------------
   Ensemble helix_pdb Euler  89.72  37.80 148.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.796  0.300  0.414     94.806  4.54
   2      0.296  0.800  0.414     94.806  4.54
   3      0.706  0.808  0.981     94.631  4.51
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #32 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.206  0.308  0.981     83.360  4.51   0.0      2     94.631/    94.631
   2      0.488  0.194  0.530     81.235  4.45  27.0      2     94.249/    94.249
   3      0.796  0.300  0.414     74.107  4.54  25.0      2     94.806/    94.806

   SET #3 of 8 TRIAL #33 of 55
   ---------------------------
   Ensemble helix_pdb Euler 114.47  38.85 151.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #34 of 55
   ---------------------------
   Ensemble helix_pdb Euler 238.45  34.59 163.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.484  0.469  0.460     96.578  4.69
   2      0.984  0.969  0.460     96.578  4.69
   3      0.482  0.790  0.959     96.395  4.66
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #34 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.510  0.961  0.021     78.989  4.40   0.0      2     94.844/    94.844
   2      0.962  0.586  0.902     77.105  4.38  44.0      4     94.694/    94.694
   3      0.200  0.557  0.730     74.879  4.55  22.6      2     95.730/    95.730
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #35 of 55
   ---------------------------
   Ensemble helix_pdb Euler 125.04  28.98 150.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 58 sites over 67.5% of top
   58 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.301  0.220  0.051     101.14  4.97
   2      0.801  0.720  0.051     101.14  4.97
   3      0.307  0.225  0.058     100.94  4.94
   #Sites = 58: output truncated to 3 sites

   Top 58 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #35 of 55
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 13 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.296  0.277  0.515     85.847  4.36   0.0      4     97.407/    98.402
   2      0.559  0.874  0.773     82.107  4.49  20.9      2     98.194/    98.194
   3      0.262  0.978  0.998     80.376  4.52  31.7      4     98.362/    98.362
   #SITES = 13: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #36 of 55
   ---------------------------
   Ensemble helix_pdb Euler  56.35  20.61 156.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.391  0.872  0.605     95.628  4.81
   2      0.891  0.372  0.605     95.628  4.81
   3      0.572  0.408  0.679     94.266  4.57
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #36 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.572  0.408  0.679     84.304  4.57   0.0      2     94.266/    94.266

   SET #3 of 8 TRIAL #37 of 55
   ---------------------------
   Ensemble helix_pdb Euler 331.02  25.47 151.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 24 sites over 67.5% of top
   24 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.815  0.913  0.953     98.317  4.98
   2      0.315  0.413  0.953     98.317  4.98
   3      0.689  0.426  0.502     97.553  4.85
   #Sites = 24: output truncated to 3 sites

   Top 24 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #37 of 55
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.689  0.426  0.502     87.244  4.85   0.0      4     97.553/    97.553
   2      0.574  0.903  0.742     84.218  4.77  21.8      2     97.053/    97.053
   3      0.815  0.913  0.953     84.100  4.98  25.7      2     98.317/    98.317
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #38 of 55
   ---------------------------
   Ensemble helix_pdb Euler   1.14  23.98 157.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.627  0.580  0.740     94.425  4.73
   2      0.127  0.080  0.740     94.425  4.73

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #38 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.627  0.580  0.740     74.253  4.73   0.0      2     94.425/    94.425

   SET #3 of 8 TRIAL #39 of 55
   ---------------------------
   Ensemble helix_pdb Euler  72.90  36.76 146.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.660  0.730  0.860     99.510  5.33
   2      0.160  0.230  0.860     99.510  5.33
   3      0.823  0.229  0.962     97.321  4.94
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #39 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.660  0.730  0.860     86.758  5.33   0.0      2     99.510/    99.510
   2      0.829  0.230  0.969     84.788  4.74  17.1      4     96.196/    97.321
   3      0.883  0.989  0.354     78.640  4.55  24.7      2     95.088/    95.088
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #40 of 55
   ---------------------------
   Ensemble helix_pdb Euler 243.79  38.08 168.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.694  0.131  0.789     96.563  5.29
   2      0.194  0.631  0.789     96.563  5.29
   3      0.373  0.037  0.361     94.042  4.86
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #40 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.485  0.333  0.851     83.133  4.79   0.0      2     93.628/    93.628
   2      0.873  0.537  0.361     82.264  4.86  26.9      2     94.042/    94.042
   3      0.694  0.131  0.789     80.050  5.29  22.7      2     96.563/    96.563
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #41 of 55
   ---------------------------
   Ensemble helix_pdb Euler 226.10  28.67 167.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 20 sites over 67.5% of top
   20 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.551  0.921  0.143     100.45  5.13
   2      0.051  0.421  0.143     100.45  5.13
   3      0.500  0.914  0.024      96.72  4.50
   #Sites = 20: output truncated to 3 sites

   Top 20 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #41 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.551  0.921  0.143     81.709  5.13   0.0      2     100.45/    100.45
   2      0.450  0.299  0.931     80.161  4.21  10.2      2      95.07/     95.07
   3      0.945  0.905  0.579     77.629  4.49  28.1      2      96.70/     96.70
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #42 of 55
   ---------------------------
   Ensemble helix_pdb Euler 179.38  35.69 151.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 20 sites over 67.5% of top
   20 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.513  0.304  0.773     97.459  5.00
   2      0.013  0.804  0.773     97.459  5.00
   3      0.495  0.341  0.002     95.812  4.72
   #Sites = 20: output truncated to 3 sites

   Top 20 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #42 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.513  0.304  0.773     86.405  5.00   0.0      4     97.459/    97.459
   2      0.987  0.251  0.668     81.015  4.39  35.3      2     93.800/    93.800
   3      0.442  0.363  0.883     80.999  4.40  12.4      2     93.870/    93.870
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #43 of 55
   ---------------------------
   Ensemble helix_pdb Euler 217.47  27.18 176.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.458  0.323  0.585     95.211  4.88
   2      0.958  0.823  0.585     95.211  4.88
   3      0.464  0.328  0.594     94.773  4.80
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #43 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.958  0.823  0.585     85.305  4.88   0.0      4     95.211/    95.211

   SET #3 of 8 TRIAL #44 of 55
   ---------------------------
   Ensemble helix_pdb Euler  10.68  27.05 148.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.643  0.576  0.078     96.126  4.79
   2      0.143  0.076  0.078     96.126  4.79
   3      0.842  0.977  0.462     95.356  4.66
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #44 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.591  0.977  0.970     79.569  4.45   0.0      2     94.095/    94.095
   2      0.061  0.475  0.180     77.021  4.42  38.1      2     93.909/    93.909
   3      0.143  0.076  0.078     75.853  4.79  26.8      2     96.126/    96.126
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #45 of 55
   ---------------------------
   Ensemble helix_pdb Euler 350.92  26.21 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.822  0.099  0.756     95.914  4.86
   2      0.322  0.599  0.756     95.914  4.86
   3      0.352  0.555  0.737     95.725  4.83
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #45 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.822  0.099  0.756     82.598  4.86   0.0      2     95.914/    95.914
   2      0.024  0.606  0.629     80.454  4.58  27.3      4     94.222/    94.233
   3      0.852  0.055  0.737     76.824  4.83   3.8      2     95.725/    95.725
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #46 of 55
   ---------------------------
   Ensemble helix_pdb Euler 351.88  21.68 148.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.428  0.529  0.646     96.058  5.22
   2      0.928  0.029  0.646     96.058  5.22

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #46 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.428  0.529  0.646     82.679  5.22   0.0      2     96.058/    96.058

   SET #3 of 8 TRIAL #47 of 55
   ---------------------------
   Ensemble helix_pdb Euler 276.54  23.49 171.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.379  0.339  0.395     94.537  4.99
   2      0.879  0.839  0.395     94.537  4.99

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #47 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.879  0.839  0.395     80.753  4.99   0.0      2     94.537/    94.537

   SET #3 of 8 TRIAL #48 of 55
   ---------------------------
   Ensemble helix_pdb Euler 286.88  23.04 169.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.654  0.836  0.510     93.671  4.85
   2      0.154  0.336  0.510     93.671  4.85
   3      0.432  0.337  0.396     93.478  4.82
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #48 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.580  0.380  0.293     84.532  4.74   0.0      2     93.044/    93.044
   2      0.654  0.836  0.510     84.216  4.85  15.3      2     93.671/    93.671
   3      0.932  0.837  0.396     80.059  4.82  30.7      2     93.478/    93.478

   SET #3 of 8 TRIAL #49 of 55
   ---------------------------
   Ensemble helix_pdb Euler 316.81  32.12 167.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.490  0.022  0.820     96.650  4.70
   2      0.990  0.522  0.820     96.650  4.70
   3      0.491  0.579  0.818     95.770  4.55
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #49 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.137  0.978  0.834     79.113  4.35   0.0      2     94.555/    94.555
   2      0.490  0.022  0.820     76.561  4.70  33.2      2     96.650/    96.650
   3      0.676  0.963  0.952     76.381  4.31  43.3      2     94.309/    94.309
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #50 of 55
   ---------------------------
   Ensemble helix_pdb Euler  30.36  24.91 165.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.363  0.914  0.530     94.859  4.63
   2      0.863  0.414  0.530     94.859  4.63
   3      0.544  0.350  0.643     94.640  4.59
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #50 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.044  0.850  0.643     83.112  4.59   0.0      2     94.640/    94.640
   2      0.863  0.414  0.530     71.105  4.63  16.9      2     94.859/    94.859

   SET #3 of 8 TRIAL #51 of 55
   ---------------------------
   Ensemble helix_pdb Euler 168.90  35.29 142.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #52 of 55
   ---------------------------
   Ensemble helix_pdb Euler  86.17  34.18 153.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 52 sites over 67.5% of top
   52 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.759  0.342  0.855     99.882  4.90
   2      0.259  0.842  0.855     99.882  4.90
   3      0.781  0.564  0.914     99.558  4.85
   #Sites = 52: output truncated to 3 sites

   Top 52 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #52 of 55
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 14 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.088  0.791  0.302     81.558  4.79   0.0      2     99.215/    99.215
   2      0.587  0.796  0.298     78.062  4.18  23.7      2     95.499/    95.499
   3      0.971  0.769  0.528     77.347  4.22  14.9      2     95.755/    95.755
   #SITES = 14: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #53 of 55
   ---------------------------
   Ensemble helix_pdb Euler 296.42  20.58 159.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.645  0.769  0.517     96.078  5.37
   2      0.145  0.269  0.517     96.078  5.37

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #53 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.145  0.269  0.517     82.265  5.37   0.0      2     96.078/    96.078

   SET #3 of 8 TRIAL #54 of 55
   ---------------------------
   Ensemble helix_pdb Euler 246.31  25.15 174.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #55 of 55
   ---------------------------
   Ensemble helix_pdb Euler 335.56  60.15 153.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.610  0.478  0.920     93.690  4.97
   2      0.110  0.978  0.920     93.690  4.97

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #55 of 55
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.110  0.978  0.920     81.561  4.97   0.0      2     93.690/    93.690


----------------------------
TRANSLATION FUNCTION #4 OF 8
----------------------------


   SOLU SET  RFZ=4.5 TFZ=4.1 PAK=0 LLG=58
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  316.1   42.2  152.6 FRAC -0.28 -0.52 -0.18 BFAC -8.97
   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   88.5 RFZ  4.24

   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   88.3 RFZ  4.23

   SOLU TRIAL ENSEMBLE helix_pdb EULER   51.869   24.857  151.761 RF   87.1 RFZ  4.09

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   86.6 RFZ  4.04

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.424   24.033  161.846 RF   86.6 RFZ  4.04

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.535   25.925  148.923 RF   86.4 RFZ  4.02

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   86.0 RFZ  3.98

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   85.9 RFZ  3.97

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   85.8 RFZ  3.96

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   85.7 RFZ  3.95

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.201   26.601  163.128 RF   85.1 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   85.0 RFZ  3.86

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   84.7 RFZ  3.84

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   84.5 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   84.5 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   84.5 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   84.5 RFZ  3.81

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   84.4 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   84.2 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   84.2 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   84.1 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   83.9 RFZ  3.75

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   83.9 RFZ  3.75

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   83.8 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   83.8 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   83.8 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   83.7 RFZ  3.73

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   83.7 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   83.6 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   83.6 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   83.5 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   83.5 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   83.5 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   83.4 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   83.4 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   83.2 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   83.1 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   83.1 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   82.9 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   82.9 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   82.8 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   82.8 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   82.5 RFZ  3.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   82.4 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   82.3 RFZ  3.57

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   82.2 RFZ  3.57

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   82.0 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   81.9 RFZ  3.53

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   81.7 RFZ  3.51

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   81.5 RFZ  3.48

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   81.4 RFZ  3.48

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   81.4 RFZ  3.48

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   81.3 RFZ  3.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   81.2 RFZ  3.46 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   81.2 RFZ  3.46 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   81.2 RFZ  3.45 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   81.0 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   81.0 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   80.9 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   80.9 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   80.8 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   80.8 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.203   35.142  161.594 RF   80.8 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   80.7 RFZ  3.40 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   80.7 RFZ  3.40 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.388   40.196  156.612 RF   80.6 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   80.6 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   80.5 RFZ  3.38 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   80.3 RFZ  3.36 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   80.3 RFZ  3.36 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.262   28.939  129.773 RF   80.2 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   12.483   21.810  155.358 RF   80.2 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.771   36.460  172.722 RF   80.2 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   80.1 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   29.925   26.470  156.022 RF   80.0 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   80.0 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   80.0 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   80.0 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   79.8 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.649   35.266  161.001 RF   79.7 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.705   28.038  181.965 RF   79.7 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  210.850   39.450  164.662 RF   79.7 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   79.6 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.844   29.075  162.258 RF   79.5 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.526   31.131  133.953 RF   79.4 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   79.3 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  108.160   30.031  138.942 RF   79.3 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.105   29.162  138.969 RF   79.2 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.278   40.307  158.593 RF   79.1 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.791   30.761  150.363 RF   78.9 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   78.9 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.453   21.186  136.283 RF   78.8 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.303   26.896  133.601 RF   78.8 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.302   50.743  192.838 RF   78.8 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.732   40.369  165.315 RF   78.7 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   78.7 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.078   44.065  153.168 RF   78.6 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   78.6 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.853   49.425  194.168 RF   78.5 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.279   27.013  139.028 RF   78.5 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.561   28.504  159.572 RF   78.4 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  251.757   23.300  178.313 RF   78.4 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   78.3 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  139.502   30.142  154.811 RF   78.3 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.275   54.297  181.356 RF   78.2 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.765   26.601  136.983 RF   78.1 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  218.966   34.600  185.712 RF   78.1 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.182   36.981  179.693 RF   78.1 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   38.861   16.401  156.062 RF   78.0 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  182.024   40.582  148.556 RF   78.0 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.820   38.127  146.797 RF   77.9 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   77.8 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  147.239   28.399  136.646 RF   77.7 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.760   41.761  152.978 RF   77.7 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.306   29.978  154.977 RF   77.7 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.791   32.132  146.853 RF   77.7 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   25.214   19.891  151.386 RF   77.6 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.862   32.433  178.320 RF   77.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.227   45.283  158.453 RF   77.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.224   25.260  140.714 RF   77.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.560   45.317  156.800 RF   77.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   14.334   23.518  135.651 RF   77.4 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.674   29.315  136.354 RF   77.4 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  214.423   56.768  173.963 RF   77.3 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.299   19.821  136.813 RF   77.3 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   77.3 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.387   20.578  161.440 RF   77.3 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   88.596   14.547  113.772 RF   77.3 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  120.330   37.137  144.780 RF   77.2 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.350   24.444   96.617 RF   77.2 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  353.579   30.665  168.047 RF   77.1 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.500   39.817  171.071 RF   77.1 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.743   34.377  143.791 RF   77.1 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.483   42.272  158.790 RF   77.0 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.583   40.879  160.397 RF   77.0 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.460   21.314  150.409 RF   76.9 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   49.289   33.293  141.902 RF   76.8 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  323.822   26.217  181.423 RF   76.8 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.138   25.215  134.276 RF   76.5 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  167.913   39.885  143.186 RF   76.5 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  171.632   44.458  159.325 RF   76.5 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  270.077   26.844  178.929 RF   76.5 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  131.617   36.655  164.234 RF   76.5 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.257   30.048  168.017 RF   76.5 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.049   35.847  175.245 RF   76.4 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.047   28.565  158.082 RF   76.4 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  237.787   44.836  165.264 RF   76.4 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   17.831   18.414  140.969 RF   76.4 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.035   34.851  174.050 RF   76.4 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.443   43.194  171.864 RF   76.3 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.683   28.520  158.446 RF   76.3 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  186.873   43.841  170.156 RF   76.3 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  187.914   33.960  177.620 RF   76.3 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   78.454   33.718  128.610 RF   76.1 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.279   48.442  147.730 RF   76.1 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.392   19.880  167.093 RF   76.1 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  327.778   16.454  154.763 RF   76.1 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.893   24.939  180.164 RF   76.0 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    2.250   24.787  138.003 RF   76.0 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   39.722   18.231  145.587 RF   76.0 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.876   44.557  156.213 RF   76.0 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.749   32.036  139.851 RF   76.0 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  273.241   25.466  218.527 RF   76.0 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.414    5.368  211.612 RF   75.9 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  116.193   13.908   85.859 RF   75.9 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  309.155   23.841  175.706 RF   75.9 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  201.232   44.691  195.382 RF   75.8 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  199.461   39.034  167.248 RF   75.8 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  292.600   27.121  184.996 RF   75.8 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.480   24.023  131.089 RF   75.8 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.974   29.645  155.250 RF   75.8 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  301.686   18.210  172.997 RF   75.7 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   26.727   22.173  134.486 RF   75.7 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.581   30.297  164.048 RF   75.6 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.349   34.097  182.439 RF   75.5 RFZ  2.84 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   35.719   33.639  180.082 RF   75.5 RFZ  2.84 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.170   40.468  144.627 RF   75.4 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.095   20.634  108.809 RF   75.4 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  338.494   31.758  176.517 RF   75.4 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  249.985    7.323  233.307 RF   75.4 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.583   29.426  173.150 RF   75.4 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  205.761   41.527  180.889 RF   75.3 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.308   53.759  154.829 RF   75.3 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  265.401   31.788  207.757 RF   75.3 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.664   23.050  182.201 RF   75.3 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.664   28.496  175.086 RF   75.3 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.311   43.587  168.237 RF   75.3 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  159.766   34.093  132.723 RF   75.2 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.724   13.530   93.504 RF   75.2 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  148.402   38.491  144.073 RF   75.2 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.868   17.129  138.121 RF   75.2 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.036   32.648  147.192 RF   75.1 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.724    9.032  130.621 RF   75.0 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.968   41.276  171.853 RF   75.0 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.201   37.089  156.639 RF   75.0 RFZ  2.78 # DEEP


   This TF set has 195 trial orientations


   #    Euler                  Rot-LLG      RF     RFZ  Ensemble
   1     260.3   25.9  169.4      88.7    88.5     4.2 helix_pdb
   2      61.8   25.2  150.8      87.6    88.3     4.2 helix_pdb
   3      51.9   24.9  151.8      86.2    87.1     4.1 helix_pdb
   4     144.5   34.2  148.9      85.1    86.6     4.0 helix_pdb
   5     330.4   24.0  161.8      85.9    86.6     4.0 helix_pdb
   6      81.5   25.9  148.9      86.5    86.4     4.0 helix_pdb
   7     254.3   27.7  166.2      85.5    86.0     4.0 helix_pdb
   8      65.1   29.9  146.5      84.8    85.9     4.0 helix_pdb
   9     311.9   26.5  162.4      85.2    85.8     4.0 helix_pdb
   10     95.2   25.2  143.9      85.2    85.7     3.9 helix_pdb
   11    302.2   26.6  163.1      84.6    85.1     3.9 helix_pdb
   12    154.7   35.4  158.0      86.7    85.0     3.9 helix_pdb
   13    266.4   24.0  172.4      84.8    84.7     3.8 helix_pdb
   14    138.4   28.8  146.0      84.7    84.5     3.8 helix_pdb
   15      1.1   24.0  157.9      82.9    84.5     3.8 helix_pdb
   16    105.0   25.8  143.1      85.8    84.5     3.8 helix_pdb
   17     41.8   24.6  152.9      83.8    84.5     3.8 helix_pdb
   18    130.9   39.3  153.8      84.7    84.4     3.8 helix_pdb
   19    119.8   27.8  146.6      85.4    84.2     3.8 helix_pdb
   20    238.5   34.6  163.9      83.3    84.2     3.8 helix_pdb
   21    125.0   29.0  150.7      83.5    84.1     3.8 helix_pdb
   22    290.4   33.1  166.7      83.9    83.9     3.8 helix_pdb
   23     68.5   27.2  153.3      84.7    83.9     3.8 helix_pdb
   24     66.9   34.6  143.2      84.5    83.8     3.7 helix_pdb
   25    281.6   33.4  166.5      84.1    83.8     3.7 helix_pdb
   26    332.6   27.0  170.3      84.2    83.8     3.7 helix_pdb
   27     98.1   38.3  149.4      84.2    83.7     3.7 helix_pdb
   28    170.1   30.7  141.5      84.1    83.7     3.7 helix_pdb
   29    240.9   26.8  170.8      84.2    83.6     3.7 helix_pdb
   30     56.3   20.6  156.8      83.5    83.6     3.7 helix_pdb
   31    231.2   27.3  171.5      84.1    83.5     3.7 helix_pdb
   32     89.7   37.8  148.5      84.0    83.5     3.7 helix_pdb
   33    136.3   40.2  158.3      84.5    83.5     3.7 helix_pdb
   34    243.8   38.1  168.7      82.9    83.4     3.7 helix_pdb
   35    161.0   30.0  141.4      84.2    83.4     3.7 helix_pdb
   36    350.9   26.2  159.2      82.3    83.2     3.7 helix_pdb
   37    114.5   26.4  142.5      85.0    83.1     3.7 helix_pdb
   38    114.5   38.8  151.6      83.7    83.1     3.7 helix_pdb
   39    286.9   23.0  169.8      82.1    82.9     3.6 helix_pdb
   40     72.9   36.8  146.8      83.1    82.9     3.6 helix_pdb
   41    276.5   23.5  171.3      82.3    82.8     3.6 helix_pdb
   42    179.4   35.7  151.0      82.8    82.8     3.6 helix_pdb
   43    226.1   28.7  167.3      82.7    82.5     3.6 helix_pdb
   44     86.2   34.2  153.4      81.9    82.4     3.6 helix_pdb
   45    351.9   21.7  148.5      82.5    82.3     3.6 helix_pdb
   46    316.8   32.1  167.6      82.0    82.2     3.6 helix_pdb
   47    133.6   27.8  141.5      83.9    82.0     3.5 helix_pdb
   48    219.0   39.2  165.8      81.0    81.9     3.5 helix_pdb
   49    168.8   39.9  163.1      81.1    81.7     3.5 helix_pdb
   50    168.9   35.3  142.5      82.0    81.5     3.5 helix_pdb
   51     94.9   34.5  153.8      80.5    81.4     3.5 helix_pdb
   52    152.6   30.0  150.4      79.8    81.4     3.5 helix_pdb
   ----- angles below here for deep search only -----
   53    232.6   37.5  171.1      79.8    81.3     3.5 helix_pdb
   54    322.8   28.6  160.3      81.1    81.2     3.5 helix_pdb
   55    246.3   25.1  174.6      81.7    81.2     3.5 helix_pdb
   56    155.4   40.0  157.0      81.0    81.2     3.5 helix_pdb
   57    163.6   40.0  158.2      80.1    81.0     3.4 helix_pdb
   58    221.3   35.0  162.8      79.7    81.0     3.4 helix_pdb
   59     10.7   27.0  148.4      82.6    80.9     3.4 helix_pdb
   60    217.5   27.2  176.3      82.7    80.9     3.4 helix_pdb
   61    296.4   20.6  159.3      81.9    80.8     3.4 helix_pdb
   62    248.5   40.7  162.8      80.2    80.8     3.4 helix_pdb
   63    204.2   35.1  161.6      78.9    80.8     3.4 helix_pdb
   64    285.3   35.8  173.3      80.8    80.7     3.4 helix_pdb
   65    260.3   37.3  170.7      80.3    80.7     3.4 helix_pdb
   66    183.4   40.2  156.6      79.1    80.6     3.4 helix_pdb
   67    331.0   25.5  151.2      83.2    80.6     3.4 helix_pdb
   68    248.3   29.3  162.7      80.4    80.5     3.4 helix_pdb
   69    165.5   35.6  167.6      81.3    80.3     3.4 helix_pdb
   70     27.1   27.8  147.5      80.6    80.3     3.4 helix_pdb
   71     79.3   28.9  129.8      78.9    80.2     3.3 helix_pdb
   72     12.5   21.8  155.4      78.4    80.2     3.3 helix_pdb
   73    276.8   36.5  172.7      79.5    80.2     3.3 helix_pdb
   74    302.5   34.5  174.6      81.4    80.1     3.3 helix_pdb
   75     29.9   26.5  156.0      80.1    80.0     3.3 helix_pdb
   76     60.8   26.6  129.6      79.9    80.0     3.3 helix_pdb
   77    174.8   35.2  168.2      81.3    80.0     3.3 helix_pdb
   78    188.5   36.1  151.9      80.5    80.0     3.3 helix_pdb
   79     30.4   24.9  165.3      81.9    79.8     3.3 helix_pdb
   80    195.6   35.3  161.0      78.5    79.7     3.3 helix_pdb
   81    304.7   28.0  182.0      78.4    79.7     3.3 helix_pdb
   82    210.9   39.5  164.7      77.7    79.7     3.3 helix_pdb
   83    224.3   30.8  179.4      79.1    79.6     3.3 helix_pdb
   84    266.8   29.1  162.3      79.0    79.5     3.3 helix_pdb
   85     84.5   31.1  134.0      78.3    79.4     3.3 helix_pdb
   86    352.1   21.6  169.2      80.3    79.3     3.3 helix_pdb
   87    108.2   30.0  138.9      78.3    79.3     3.2 helix_pdb
   88     99.1   29.2  139.0      78.2    79.2     3.2 helix_pdb
   89    197.3   40.3  158.6      77.4    79.1     3.2 helix_pdb
   90    170.8   30.8  150.4      78.1    78.9     3.2 helix_pdb
   91    335.6   60.2  153.7      82.0    78.9     3.2 helix_pdb
   92     84.5   21.2  136.3      78.0    78.8     3.2 helix_pdb
   93     47.3   26.9  133.6      78.1    78.8     3.2 helix_pdb
   94    194.3   50.7  192.8      78.3    78.8     3.2 helix_pdb
   95    264.7   40.4  165.3      79.0    78.7     3.2 helix_pdb
   96    207.9   27.9  176.7      80.8    78.7     3.2 helix_pdb
   97    140.1   44.1  153.2      77.7    78.6     3.2 helix_pdb
   98     10.9   21.0  165.8      80.5    78.6     3.2 helix_pdb
   99     55.9   49.4  194.2      79.5    78.5     3.2 helix_pdb
   100    31.3   27.0  139.0      79.6    78.5     3.2 helix_pdb
   101   341.6   28.5  159.6      78.7    78.4     3.2 helix_pdb
   102   251.8   23.3  178.3      77.5    78.4     3.2 helix_pdb
   103    42.6   32.8  151.2      79.7    78.3     3.1 helix_pdb
   104   139.5   30.1  154.8      77.6    78.3     3.1 helix_pdb
   105   227.3   54.3  181.4      77.2    78.2     3.1 helix_pdb
   106   128.8   26.6  137.0      78.1    78.1     3.1 helix_pdb
   107   219.0   34.6  185.7      77.0    78.1     3.1 helix_pdb
   108   206.2   37.0  179.7      78.3    78.1     3.1 helix_pdb
   109    38.9   16.4  156.1      77.8    78.0     3.1 helix_pdb
   110   182.0   40.6  148.6      77.9    78.0     3.1 helix_pdb
   111   136.8   38.1  146.8      76.1    77.9     3.1 helix_pdb
   112    35.0   58.5  174.9      79.6    77.8     3.1 helix_pdb
   113   147.2   28.4  136.6      79.3    77.7     3.1 helix_pdb
   114   209.8   41.8  153.0      78.3    77.7     3.1 helix_pdb
   115   130.3   30.0  155.0      77.3    77.7     3.1 helix_pdb
   116   194.8   32.1  146.9      78.8    77.7     3.1 helix_pdb
   117    25.2   19.9  151.4      76.3    77.6     3.1 helix_pdb
   118   206.9   32.4  178.3      77.9    77.5     3.1 helix_pdb
   119   206.2   45.3  158.5      77.4    77.5     3.1 helix_pdb
   120    52.2   25.3  140.7      75.9    77.5     3.1 helix_pdb
   121   197.6   45.3  156.8      77.9    77.5     3.1 helix_pdb
   122    14.3   23.5  135.7      77.5    77.4     3.1 helix_pdb
   123   156.7   29.3  136.4      78.9    77.4     3.0 helix_pdb
   124   214.4   56.8  174.0      78.3    77.3     3.0 helix_pdb
   125    37.3   19.8  136.8      76.5    77.3     3.0 helix_pdb
   126   207.4   29.4  167.8      78.3    77.3     3.0 helix_pdb
   127   285.4   20.6  161.4      80.0    77.3     3.0 helix_pdb
   128    88.6   14.5  113.8      78.5    77.3     3.0 helix_pdb
   129   120.3   37.1  144.8      76.1    77.2     3.0 helix_pdb
   130   300.4   24.4   96.6      77.4    77.2     3.0 helix_pdb
   131   353.6   30.7  168.0      78.1    77.1     3.0 helix_pdb
   132   174.5   39.8  171.1      76.7    77.1     3.0 helix_pdb
   133    37.7   34.4  143.8      77.6    77.1     3.0 helix_pdb
   134   242.5   42.3  158.8      76.8    77.0     3.0 helix_pdb
   135   125.6   40.9  160.4      78.2    77.0     3.0 helix_pdb
   136    89.5   21.3  150.4      77.2    76.9     3.0 helix_pdb
   137    49.3   33.3  141.9      78.0    76.8     3.0 helix_pdb
   138   323.8   26.2  181.4      76.4    76.8     3.0 helix_pdb
   139    31.1   25.2  134.3      76.2    76.5     3.0 helix_pdb
   140   167.9   39.9  143.2      75.1    76.5     2.9 helix_pdb
   141   171.6   44.5  159.3      75.0    76.5     2.9 helix_pdb
   142   270.1   26.8  178.9      75.1    76.5     2.9 helix_pdb
   143   131.6   36.7  164.2      79.7    76.5     2.9 helix_pdb
   144     9.3   30.0  168.0      78.1    76.5     2.9 helix_pdb
   145   238.0   35.8  175.2      74.3    76.4     2.9 helix_pdb
   146    19.0   28.6  158.1      78.2    76.4     2.9 helix_pdb
   147   237.8   44.8  165.3      74.2    76.4     2.9 helix_pdb
   148    17.8   18.4  141.0      76.5    76.4     2.9 helix_pdb
   149   179.0   34.9  174.0      76.6    76.4     2.9 helix_pdb
   150   195.4   43.2  171.9      75.2    76.3     2.9 helix_pdb
   151     9.7   28.5  158.4      77.8    76.3     2.9 helix_pdb
   152   186.9   43.8  170.2      76.7    76.3     2.9 helix_pdb
   153   187.9   34.0  177.6      75.9    76.3     2.9 helix_pdb
   154    78.5   33.7  128.6      74.1    76.1     2.9 helix_pdb
   155   153.3   48.4  147.7      74.4    76.1     2.9 helix_pdb
   156   316.4   19.9  167.1      75.2    76.1     2.9 helix_pdb
   157   327.8   16.5  154.8      74.4    76.1     2.9 helix_pdb
   158   231.9   24.9  180.2      75.2    76.0     2.9 helix_pdb
   159     2.3   24.8  138.0      75.5    76.0     2.9 helix_pdb
   160    39.7   18.2  145.6      75.5    76.0     2.9 helix_pdb
   161   155.9   44.6  156.2      74.8    76.0     2.9 helix_pdb
   162   239.7   32.0  139.9      75.5    76.0     2.9 helix_pdb
   163   273.2   25.5  218.5      76.6    76.0     2.9 helix_pdb
   164   101.4    5.4  211.6      76.6    75.9     2.9 helix_pdb
   165   116.2   13.9   85.9      76.2    75.9     2.9 helix_pdb
   166   309.2   23.8  175.7      75.1    75.9     2.9 helix_pdb
   167   201.2   44.7  195.4      76.0    75.8     2.9 helix_pdb
   168   199.5   39.0  167.2      74.3    75.8     2.9 helix_pdb
   169   292.6   27.1  185.0      73.9    75.8     2.9 helix_pdb
   170    79.5   24.0  131.1      73.8    75.8     2.9 helix_pdb
   171   112.0   29.6  155.3      76.7    75.8     2.9 helix_pdb
   172   301.7   18.2  173.0      74.6    75.7     2.9 helix_pdb
   173    26.7   22.2  134.5      75.8    75.7     2.9 helix_pdb
   174   192.6   30.3  164.0      78.8    75.6     2.9 helix_pdb
   175   231.3   34.1  182.4      74.0    75.5     2.8 helix_pdb
   176    35.7   33.6  180.1      75.1    75.5     2.8 helix_pdb
   177   176.2   40.5  144.6      75.5    75.4     2.8 helix_pdb
   178   101.1   20.6  108.8      75.5    75.4     2.8 helix_pdb
   179   338.5   31.8  176.5      75.4    75.4     2.8 helix_pdb
   180   250.0    7.3  233.3      74.8    75.4     2.8 helix_pdb
   181   192.6   29.4  173.2      75.3    75.4     2.8 helix_pdb
   182   205.8   41.5  180.9      73.9    75.3     2.8 helix_pdb
   183   156.3   53.8  154.8      77.0    75.3     2.8 helix_pdb
   184   265.4   31.8  207.8      74.6    75.3     2.8 helix_pdb
   185   332.7   23.1  182.2      74.8    75.3     2.8 helix_pdb
   186   350.7   28.5  175.1      75.9    75.3     2.8 helix_pdb
   187   217.3   43.6  168.2      74.6    75.3     2.8 helix_pdb
   188   159.8   34.1  132.7      73.6    75.2     2.8 helix_pdb
   189   287.7   13.5   93.5      77.5    75.2     2.8 helix_pdb
   190   148.4   38.5  144.1      73.2    75.2     2.8 helix_pdb
   191    55.9   17.1  138.1      74.3    75.2     2.8 helix_pdb
   192   204.0   32.6  147.2      76.8    75.1     2.8 helix_pdb
   193    63.7    9.0  130.6      75.2    75.0     2.8 helix_pdb
   194   154.0   41.3  171.9      74.0    75.0     2.8 helix_pdb
   195    56.2   37.1  156.6      74.2    75.0     2.8 helix_pdb

      52 trial orientations in initial search
      143 trial orientations in deep search


   Scoring 585 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #4 of 8
   0%        100%
   |==========| DONE

   Mean Score (Sigma):       36.57   (10.19)

   SET #4 of 8 TRIAL #1 of 52
   --------------------------
   Ensemble helix_pdb Euler 260.25  25.95 169.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 40 sites over 67.5% of top
   40 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.580  0.184  0.933     103.73  5.22
   2      0.080  0.684  0.933     103.73  5.22
   3      0.583  0.183  0.939      99.25  4.48
   #Sites = 40: output truncated to 3 sites

   Top 40 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #1 of 52
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.368  0.328  0.263     89.679  4.23   0.0      4     97.732/    97.928
   2      0.580  0.184  0.933     88.905  5.22  16.3      4    103.733/   103.733
   3      0.870  0.311  0.053     84.432  4.05  17.8      4     96.660/    97.626
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #2 of 52
   --------------------------
   Ensemble helix_pdb Euler  61.81  25.19 150.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 58 sites over 67.5% of top
   58 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.588  0.333  0.981     99.471  4.45
   2      0.088  0.833  0.981     99.471  4.45
   3      0.589  0.816  0.481     98.924  4.36
   #Sites = 58: output truncated to 3 sites

   Top 58 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #2 of 52
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 22 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.350  0.801  0.864     86.626  4.19   0.0      4     97.906/    97.906
   2      0.832  0.287  0.432     81.586  4.10  19.0      2     97.359/    97.359
   3      0.680  0.076  0.926     81.519  4.25  28.9      2     98.245/    98.245
   #SITES = 22: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #3 of 52
   --------------------------
   Ensemble helix_pdb Euler  51.87  24.86 151.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.596  0.773  0.480     97.338  4.44
   2      0.096  0.273  0.480     97.338  4.44
   3      0.729  0.135  0.035     96.202  4.25
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #3 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.835  0.256  0.424     81.561  4.11   0.0      2     95.365/    95.365
   2      0.229  0.635  0.035     80.878  4.25  27.3      2     96.202/    96.202
   3      0.688  0.030  0.925     80.653  4.20  25.7      2     95.928/    95.928
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #4 of 52
   --------------------------
   Ensemble helix_pdb Euler 144.54  34.20 148.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 36 sites over 67.5% of top
   36 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.728  0.351  0.764     104.98  5.64
   2      0.228  0.851  0.764     104.98  5.64
   3      0.272  0.848  0.878      99.11  4.70
   #Sites = 36: output truncated to 3 sites

   Top 36 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #4 of 52
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.728  0.351  0.764     93.547  5.64   0.0      4     104.98/    104.98
   2      0.772  0.348  0.878     87.048  4.70   5.6      2      99.11/     99.11
   3      0.501  0.119  0.153     86.059  4.14  25.5      2      95.59/     95.59
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #5 of 52
   --------------------------
   Ensemble helix_pdb Euler 330.42  24.03 161.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 26 sites over 67.5% of top
   26 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.409  0.916  0.979     98.678  4.86
   2      0.909  0.416  0.979     98.678  4.86
   3      0.825  0.917  0.090     97.766  4.72
   #Sites = 26: output truncated to 3 sites

   Top 26 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #5 of 52
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.825  0.480  0.409     86.740  4.53   0.0      2     96.620/    96.620
   2      0.825  0.482  0.090     84.404  4.57  20.2      2     96.884/    96.884
   3      0.325  0.417  0.090     83.361  4.72  25.1      2     97.766/    97.766
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #6 of 52
   --------------------------
   Ensemble helix_pdb Euler  81.53  25.92 148.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 36 sites over 67.5% of top
   36 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.358  0.966  0.547     100.02  4.85
   2      0.858  0.466  0.547     100.02  4.85
   3      0.365  0.968  0.554      99.47  4.76
   #Sites = 36: output truncated to 3 sites

   Top 36 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #6 of 52
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.882  0.373  0.656     87.200  4.47   0.0      2     97.676/    97.676
   2      0.895  0.832  0.002     87.122  4.21  23.9      6     96.082/    96.370
   3      0.844  0.197  0.501     86.262  4.68   9.1      4     98.989/    98.989
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #7 of 52
   --------------------------
   Ensemble helix_pdb Euler 254.25  27.73 166.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 38 sites over 67.5% of top
   38 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.271  0.332  0.487     100.23  4.76
   2      0.771  0.832  0.487     100.23  4.76
   3      0.272  0.355  0.168      99.57  4.65
   #Sites = 38: output truncated to 3 sites

   Top 38 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #7 of 52
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.247  0.229  0.814     88.960  4.22   0.0      2     96.943/    96.943
   2      0.207  0.827  0.504     87.002  4.46  19.9      2     98.402/    98.402
   3      0.834  0.866  0.706     84.882  3.90  30.1      2     94.982/    94.982
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #8 of 52
   --------------------------
   Ensemble helix_pdb Euler  65.08  29.91 146.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 22 sites over 67.5% of top
   22 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.832  0.783  0.430     98.487  4.79
   2      0.332  0.283  0.430     98.487  4.79
   3      0.826  0.223  0.108     98.059  4.72
   #Sites = 22: output truncated to 3 sites

   Top 22 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #8 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.832  0.783  0.430     90.911  4.79   0.0      4     98.487/    98.487
   2      0.326  0.723  0.108     86.444  4.72  27.1      2     98.059/    98.059
   3      0.377  0.207  0.225     83.140  4.56  34.2      4     97.110/    97.110
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #9 of 52
   --------------------------
   Ensemble helix_pdb Euler 311.90  26.45 162.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 38 sites over 67.5% of top
   38 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.397  0.336  0.518     100.67  4.90
   2      0.897  0.836  0.518     100.67  4.90
   3      0.403  0.334  0.527      99.06  4.64
   #Sites = 38: output truncated to 3 sites

   Top 38 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #9 of 52
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 15 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.903  0.834  0.527     85.394  4.64   0.0      4     99.059/   100.672
   2      0.232  0.850  0.414     84.916  4.10  15.1      4     95.671/    96.525
   3      0.796  0.885  0.079     82.524  4.06  23.4      2     95.431/    95.431
   #SITES = 15: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #10 of 52
   ---------------------------
   Ensemble helix_pdb Euler  95.22  25.15 143.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.383  0.931  0.664     98.230  4.85
   2      0.883  0.431  0.664     98.230  4.85
   3      0.619  0.440  0.107     96.939  4.64
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #10 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.883  0.431  0.664     90.302  4.85   0.0      2     98.230/    98.230
   2      0.398  0.368  0.014     84.529  4.32  32.9      4     95.054/    95.054
   3      0.845  0.241  0.507     78.953  4.39   9.3      2     95.447/    95.447
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #11 of 52
   ---------------------------
   Ensemble helix_pdb Euler 302.20  26.60 163.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.388  0.314  0.517     99.535  4.88
   2      0.888  0.814  0.517     99.535  4.88
   3      0.544  0.344  0.439     98.349  4.68
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #11 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.388  0.314  0.517     84.074  4.88   0.0      4     99.535/    99.535
   2      0.552  0.201  0.775     80.301  4.40  13.6      2     96.574/    96.574
   3      0.776  0.946  0.385     77.675  4.65  21.6      2     98.142/    98.142
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #12 of 52
   ---------------------------
   Ensemble helix_pdb Euler 154.74  35.36 158.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.729  0.306  0.433     96.101  4.24
   2      0.229  0.806  0.433     96.101  4.24
   3      0.281  0.678  0.234     95.672  4.17
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #12 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.234  0.736  0.122     82.069  4.13   0.0      2     95.419/    95.419
   2      0.172  0.432  0.955     79.823  4.01  10.9      2     94.724/    94.724
   3      0.661  0.127  0.648     78.187  4.01  14.5      2     94.691/    94.691
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #13 of 52
   ---------------------------
   Ensemble helix_pdb Euler 266.43  24.03 172.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #14 of 52
   ---------------------------
   Ensemble helix_pdb Euler 138.41  28.85 146.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 20 sites over 67.5% of top
   20 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.353  0.999  0.683     97.413  4.66
   2      0.853  0.499  0.683     97.413  4.66
   3      0.269  0.939  0.879     96.582  4.52
   #Sites = 20: output truncated to 3 sites

   Top 20 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #14 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.269  0.939  0.879     86.477  4.52   0.0      4     96.582/    96.582
   2      0.722  0.423  0.767     80.627  4.31  43.2      2     95.345/    95.345
   3      0.853  0.499  0.683     79.415  4.66  31.5      2     97.413/    97.413
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #15 of 52
   ---------------------------
   Ensemble helix_pdb Euler   1.14  23.98 157.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.823  0.524  0.548     99.045  5.33
   2      0.323  0.024  0.548     99.045  5.33
   3      0.386  0.485  0.719     93.983  4.51
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #15 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.323  0.024  0.548     87.805  5.33   0.0      2     99.045/    99.045
   2      0.886  0.985  0.719     76.042  4.51  15.4      2     93.983/    93.983

   SET #4 of 8 TRIAL #16 of 52
   ---------------------------
   Ensemble helix_pdb Euler 105.00  25.77 143.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.607  0.457  0.108     99.770  5.26
   2      0.107  0.957  0.108     99.770  5.26
   3      0.608  0.918  0.607     98.837  5.10
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #16 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.607  0.457  0.108     80.687  5.26   0.0      2     99.770/    99.770
   2      0.608  0.918  0.607     78.345  5.10  33.5      2     98.837/    98.837
   3      0.608  0.785  0.607     78.282  4.73  32.7      2     96.623/    96.623

   SET #4 of 8 TRIAL #17 of 52
   ---------------------------
   Ensemble helix_pdb Euler  41.80  24.60 152.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.366  0.203  0.170     94.423  4.49
   2      0.866  0.703  0.170     94.423  4.49
   3      0.839  0.341  0.425     94.001  4.42
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #17 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.339  0.841  0.425     78.839  4.42   0.0      2     94.001/    94.001
   2      0.866  0.703  0.170     72.762  4.49  29.6      2     94.423/    94.423

   SET #4 of 8 TRIAL #18 of 52
   ---------------------------
   Ensemble helix_pdb Euler 130.85  39.28 153.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.498  0.755  0.868     93.521  4.61
   2      0.998  0.255  0.868     93.521  4.61
   3      0.719  0.303  0.311     93.505  4.61
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #18 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.998  0.255  0.868     77.735  4.61   0.0      2     93.521/    93.521
   2      0.219  0.803  0.311     75.556  4.61  18.7      2     93.505/    93.505

   SET #4 of 8 TRIAL #19 of 52
   ---------------------------
   Ensemble helix_pdb Euler 119.80  27.80 146.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.369  0.002  0.673     97.169  4.63
   2      0.869  0.502  0.673     97.169  4.63
   3      0.394  0.907  0.321     96.556  4.53
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #19 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.815  0.740  0.937     83.078  4.51   0.0      2     96.463/    96.463
   2      0.747  0.435  0.764     81.989  4.28  11.1      2     95.051/    95.051
   3      0.117  0.471  0.007     78.997  4.35   8.0      4     95.471/    96.429
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #20 of 52
   ---------------------------
   Ensemble helix_pdb Euler 238.45  34.59 163.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.249  0.454  0.465     96.480  4.65
   2      0.749  0.954  0.465     96.480  4.65
   3      0.249  0.571  0.465     94.845  4.38
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #20 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.654  0.975  0.235     79.445  4.23   0.0      2     93.924/    93.924
   2      0.749  0.954  0.465     73.454  4.65  11.2      2     96.480/    96.480
   3      0.249  0.571  0.465     69.549  4.38  17.8      2     94.845/    94.845

   SET #4 of 8 TRIAL #21 of 52
   ---------------------------
   Ensemble helix_pdb Euler 125.04  28.98 150.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 50 sites over 67.5% of top
   50 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.301  0.217  0.936     100.04  4.78
   2      0.801  0.717  0.936     100.04  4.78
   3      0.302  0.844  0.550      99.06  4.63
   #Sites = 50: output truncated to 3 sites

   Top 50 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #21 of 52
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.798  0.715  0.932     82.736  4.29   0.0      4     97.026/   100.035
   2      0.273  0.914  0.873     82.376  4.37  46.2      4     97.475/    97.475
   3      0.729  0.396  0.763     78.678  3.94  11.2      2     94.861/    94.861
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #22 of 52
   ---------------------------
   Ensemble helix_pdb Euler 290.39  33.10 166.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.754  0.954  0.369     95.221  4.47
   2      0.254  0.454  0.369     95.221  4.47
   3      0.323  0.402  0.390     94.423  4.33
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #22 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.282  0.950  0.812     80.656  4.28   0.0      2     94.097/    94.097
   2      0.823  0.902  0.390     76.798  4.33  10.0      2     94.423/    94.423

   SET #4 of 8 TRIAL #23 of 52
   ---------------------------
   Ensemble helix_pdb Euler  68.53  27.20 153.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 46 sites over 67.5% of top
   46 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.356  0.909  0.539     98.562  4.64
   2      0.856  0.409  0.539     98.562  4.64
   3      0.810  0.409  0.427     98.517  4.64
   #Sites = 46: output truncated to 3 sites

   Top 46 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #23 of 52
   0%  100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 14 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.813  0.867  0.426     82.723  4.46   0.0      2     97.397/    97.397
   2      0.913  0.221  0.317     80.353  4.17  16.9      2     95.584/    95.584
   3      0.924  0.857  0.755     79.145  4.15  16.2      2     95.498/    95.498
   #SITES = 14: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #24 of 52
   ---------------------------
   Ensemble helix_pdb Euler  66.88  34.65 143.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.493  0.677  0.412     98.398  5.22
   2      0.993  0.177  0.412     98.398  5.22
   3      0.491  0.677  0.409     97.303  5.03
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #24 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.993  0.177  0.412     91.867  5.22   0.0      4     98.398/    98.398

   SET #4 of 8 TRIAL #25 of 52
   ---------------------------
   Ensemble helix_pdb Euler 281.57  33.45 166.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.305  0.361  0.146     95.339  4.55
   2      0.805  0.861  0.146     95.339  4.55
   3      0.314  0.398  0.386     94.222  4.36
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #25 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.305  0.361  0.146     82.058  4.55   0.0      2     95.339/    95.339
   2      0.814  0.898  0.386     76.938  4.36  30.1      2     94.222/    94.222
   3      0.712  0.908  0.447     73.572  4.32  29.0      2     93.969/    93.969

   SET #4 of 8 TRIAL #26 of 52
   ---------------------------
   Ensemble helix_pdb Euler 332.57  27.01 170.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.359  0.662  0.509     98.001  5.19
   2      0.859  0.162  0.509     98.001  5.19
   3      0.360  0.534  0.506     97.385  5.08
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #26 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.359  0.662  0.509     81.661  5.19   0.0      2     98.001/    98.001
   2      0.860  0.034  0.506     79.089  5.08  21.6      2     97.385/    97.385

   SET #4 of 8 TRIAL #27 of 52
   ---------------------------
   Ensemble helix_pdb Euler  98.11  38.34 149.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.726  0.664  0.635     93.723  4.61
   2      0.226  0.164  0.635     93.723  4.61

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #27 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.226  0.164  0.635     81.814  4.61   0.0      2     93.723/    93.723

   SET #4 of 8 TRIAL #28 of 52
   ---------------------------
   Ensemble helix_pdb Euler 170.10  30.70 141.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.248  0.879  0.890     98.489  5.03
   2      0.748  0.379  0.890     98.489  5.03
   3      0.257  0.355  0.894     97.767  4.90
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #28 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.765  0.851  0.906     86.262  4.49   0.0      4     95.432/    97.767
   2      0.248  0.879  0.890     85.005  5.03  45.3      4     98.489/    98.489
   3      0.759  0.417  0.572     78.899  4.37  23.3      2     94.715/    94.715
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #29 of 52
   ---------------------------
   Ensemble helix_pdb Euler 240.92  26.84 170.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.705  0.299  0.505     97.352  4.93
   2      0.205  0.799  0.505     97.352  4.93
   3      0.269  0.345  0.169     96.368  4.76
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #29 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.205  0.799  0.505     86.261  4.93   0.0      2     97.352/    97.352
   2      0.769  0.845  0.169     85.321  4.76  19.2      2     96.368/    96.368
   3      0.270  0.263  0.672     81.013  4.57  13.7      2     95.237/    95.237
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #30 of 52
   ---------------------------
   Ensemble helix_pdb Euler  56.35  20.61 156.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.563  0.451  0.566     96.692  5.09
   2      0.063  0.951  0.566     96.692  5.09
   3      0.560  0.454  0.561     94.305  4.68
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #30 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.063  0.951  0.566     85.725  5.09   0.0      4     96.692/    96.692
   2      0.451  0.434  0.778     84.733  4.57  31.2      2     93.712/    93.712
   3      0.867  0.966  0.548     79.665  4.60  12.4      2     93.840/    93.840

   SET #4 of 8 TRIAL #31 of 52
   ---------------------------
   Ensemble helix_pdb Euler 231.17  27.28 171.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.360  0.295  0.604     96.389  4.72
   2      0.860  0.795  0.604     96.389  4.72
   3      0.741  0.804  0.476     95.990  4.65
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #31 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.670  0.274  0.942     82.830  4.36   0.0      2     94.291/    94.291
   2      0.860  0.795  0.604     81.165  4.72  35.4      2     96.389/    96.389
   3      0.735  0.571  0.114     80.013  4.40  11.0      2     94.507/    94.507
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #32 of 52
   ---------------------------
   Ensemble helix_pdb Euler  89.72  37.80 148.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.734  0.640  0.635     94.614  4.69
   2      0.234  0.140  0.635     94.614  4.69

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #32 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.734  0.640  0.635     83.875  4.69   0.0      2     94.614/    94.614

   SET #4 of 8 TRIAL #33 of 52
   ---------------------------
   Ensemble helix_pdb Euler 136.29  40.23 158.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.712  0.254  0.316     95.541  4.92
   2      0.212  0.754  0.316     95.541  4.92
   3      0.706  0.255  0.310     95.186  4.86
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #33 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.188  0.124  0.641     81.554  4.60   0.0      2     93.633/    93.633
   2      0.716  0.750  0.314     81.270  4.84  11.6      2     95.078/    95.078
   3      0.712  0.254  0.316     80.360  4.92   8.4      4     95.541/    95.541

   SET #4 of 8 TRIAL #34 of 52
   ---------------------------
   Ensemble helix_pdb Euler 243.79  38.08 168.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #35 of 52
   ---------------------------
   Ensemble helix_pdb Euler 160.97  29.98 141.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.258  0.903  0.890     98.526  5.12
   2      0.758  0.403  0.890     98.526  5.12
   3      0.265  0.381  0.892     96.746  4.81
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #35 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.914  0.261  0.244     84.346  4.42   0.0      2     94.482/    94.482
   2      0.265  0.381  0.892     84.163  4.81  13.1      2     96.746/    96.746
   3      0.258  0.903  0.890     83.257  5.12  15.0      4     98.526/    98.526
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #36 of 52
   ---------------------------
   Ensemble helix_pdb Euler 350.92  26.21 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.782  0.012  0.296     94.869  4.62
   2      0.282  0.512  0.296     94.869  4.62
   3      0.806  0.484  0.538     94.457  4.55
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #36 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.282  0.512  0.296     82.227  4.62   0.0      2     94.869/    94.869
   2      0.806  0.484  0.538     78.998  4.55  17.0      4     94.457/    94.457

   SET #4 of 8 TRIAL #37 of 52
   ---------------------------
   Ensemble helix_pdb Euler 114.54  26.45 142.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.595  0.473  0.108     97.297  5.02
   2      0.095  0.973  0.108     97.297  5.02
   3      0.596  0.932  0.607     96.768  4.94
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #37 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.416  0.463  0.326     84.822  4.79   0.0      2     95.914/    95.914
   2      0.922  0.892  0.128     82.263  4.47  27.4      2     93.980/    93.980
   3      0.595  0.473  0.108     78.849  5.02  27.0      2     97.297/    97.297
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #38 of 52
   ---------------------------
   Ensemble helix_pdb Euler 114.47  38.85 151.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #39 of 52
   ---------------------------
   Ensemble helix_pdb Euler 286.88  23.04 169.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.432  0.204  0.395     94.885  5.14
   2      0.932  0.704  0.395     94.885  5.14

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #39 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.932  0.704  0.395     84.894  5.14   0.0      2     94.885/    94.885

   SET #4 of 8 TRIAL #40 of 52
   ---------------------------
   Ensemble helix_pdb Euler  72.90  36.76 146.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.477  0.698  0.411     97.276  5.11
   2      0.977  0.198  0.411     97.276  5.11

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #40 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.977  0.198  0.411     91.269  5.11   0.0      2     97.276/    97.276

   SET #4 of 8 TRIAL #41 of 52
   ---------------------------
   Ensemble helix_pdb Euler 276.54  23.49 171.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #42 of 52
   ---------------------------
   Ensemble helix_pdb Euler 179.38  35.69 151.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.547  0.177  0.838     93.546  4.43
   2      0.047  0.677  0.838     93.546  4.43

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #42 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.047  0.677  0.838     79.855  4.43   0.0      2     93.546/    93.546

   SET #4 of 8 TRIAL #43 of 52
   ---------------------------
   Ensemble helix_pdb Euler 226.10  28.67 167.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 20 sites over 67.5% of top
   20 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.345  0.348  0.597     99.182  5.07
   2      0.845  0.848  0.597     99.182  5.07
   3      0.718  0.400  0.603     95.205  4.39
   #Sites = 20: output truncated to 3 sites

   Top 20 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #43 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.203  0.331  0.557     78.564  4.38   0.0      2     95.128/    95.128
   2      0.243  0.412  0.154     77.963  4.39  28.2      2     95.154/    95.154
   3      0.718  0.400  0.603     77.758  4.39  15.9      2     95.205/    95.205
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #44 of 52
   ---------------------------
   Ensemble helix_pdb Euler  86.17  34.18 153.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.783  0.254  0.914     97.671  4.58
   2      0.283  0.754  0.914     97.671  4.58
   3      0.782  0.224  0.412     96.726  4.43
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #44 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.649  0.262  0.527     78.645  4.10   0.0      2     94.746/    94.746
   2      0.711  0.253  0.629     75.922  4.26   5.2      2     95.701/    95.701
   3      0.295  0.760  0.086     74.070  4.30  24.6      2     95.976/    95.976
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #45 of 52
   ---------------------------
   Ensemble helix_pdb Euler 351.88  21.68 148.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #46 of 52
   ---------------------------
   Ensemble helix_pdb Euler 316.81  32.12 167.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.366  0.986  0.955     94.840  4.49
   2      0.866  0.486  0.955     94.840  4.49

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #46 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.866  0.486  0.955     76.148  4.49   0.0      2     94.840/    94.840

   SET #4 of 8 TRIAL #47 of 52
   ---------------------------
   Ensemble helix_pdb Euler 133.57  27.81 141.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #48 of 52
   ---------------------------
   Ensemble helix_pdb Euler 219.01  39.25 165.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #49 of 52
   ---------------------------
   Ensemble helix_pdb Euler 168.78  39.95 163.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.248  0.194  0.442     94.212  5.02
   2      0.748  0.694  0.442     94.212  5.02
   3      0.249  0.604  0.119     93.022  4.81
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #49 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.248  0.194  0.442     85.788  5.02   0.0      2     94.212/    94.212
   2      0.249  0.604  0.119     84.405  4.81  22.8      2     93.022/    93.022

   SET #4 of 8 TRIAL #50 of 52
   ---------------------------
   Ensemble helix_pdb Euler 168.90  35.29 142.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.697  0.385  0.334     93.883  5.02
   2      0.197  0.885  0.334     93.883  5.02

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #50 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.697  0.385  0.334     81.763  5.02   0.0      2     93.883/    93.883

   SET #4 of 8 TRIAL #51 of 52
   ---------------------------
   Ensemble helix_pdb Euler  94.86  34.47 153.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.775  0.280  0.915     95.658  4.51
   2      0.275  0.780  0.915     95.658  4.51
   3      0.703  0.268  0.629     94.721  4.35
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #51 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.776  0.732  0.766     77.932  4.27   0.0      2     94.217/    94.217
   2      0.203  0.768  0.629     77.470  4.35  26.5      2     94.721/    94.721
   3      0.697  0.183  0.390     75.646  4.26  22.7      2     94.186/    94.186

   SET #4 of 8 TRIAL #52 of 52
   ---------------------------
   Ensemble helix_pdb Euler 152.55  30.04 150.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.248  0.861  0.882     98.345  4.85
   2      0.748  0.361  0.882     98.345  4.85
   3      0.732  0.456  0.446     98.342  4.85
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #52 of 52
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.248  0.861  0.882     82.129  4.85   0.0      4     98.345/    98.345
   2      0.232  0.956  0.446     79.247  4.85  26.9      4     98.342/    98.342
   3      0.264  0.883  0.563     76.242  4.74  21.3      2     97.670/    97.670
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


----------------------------
TRANSLATION FUNCTION #5 OF 8
----------------------------


   SOLU SET  RFZ=4.5 TFZ=3.7 PAK=0 LLG=58
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  326.8   35.2  137.6 FRAC  0.13 -0.05 -0.10 BFAC -9.63
   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   87.2 RFZ  4.26

   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   85.8 RFZ  4.10

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   84.4 RFZ  3.95

   SOLU TRIAL ENSEMBLE helix_pdb EULER   51.869   24.857  151.761 RF   84.4 RFZ  3.95

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   84.2 RFZ  3.92

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.535   25.925  148.923 RF   84.1 RFZ  3.92

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.424   24.033  161.846 RF   83.9 RFZ  3.90

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   83.8 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   83.6 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   83.6 RFZ  3.86

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   83.4 RFZ  3.84

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   83.2 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   83.2 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   83.0 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  299.940   24.570  165.557 RF   82.9 RFZ  3.79

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   82.8 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   82.8 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   82.3 RFZ  3.73

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   82.2 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   82.0 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   82.0 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   82.0 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   81.9 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   81.9 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   81.8 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   81.7 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   81.7 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   81.7 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   81.7 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   81.6 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   81.5 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   81.4 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   81.3 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   81.3 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   81.2 RFZ  3.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   81.2 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   81.1 RFZ  3.59 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   81.0 RFZ  3.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   81.0 RFZ  3.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   80.8 RFZ  3.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   80.7 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   80.6 RFZ  3.53 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   80.3 RFZ  3.51 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   80.3 RFZ  3.50 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   80.3 RFZ  3.50 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   80.2 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   80.2 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   80.1 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   80.1 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   80.0 RFZ  3.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   79.9 RFZ  3.46 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   79.8 RFZ  3.45 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   79.8 RFZ  3.45 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   79.7 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   79.7 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   79.7 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   79.6 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   79.5 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   79.2 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   79.2 RFZ  3.38 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   79.1 RFZ  3.38 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.203   35.142  161.594 RF   79.0 RFZ  3.37 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   79.0 RFZ  3.36 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   78.9 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   78.9 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   78.8 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   78.8 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   78.6 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   78.6 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   78.6 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   78.5 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   74.017   36.083  212.756 RF   78.5 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.649   35.266  161.001 RF   78.5 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.771   36.460  172.722 RF   78.3 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   78.3 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   78.2 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.388   40.196  156.612 RF   78.2 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.619   48.334  196.267 RF   78.2 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.844   29.075  162.258 RF   78.2 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   29.925   26.470  156.022 RF   78.2 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.732   40.369  165.315 RF   78.1 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   78.1 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   78.0 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   77.9 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  139.502   30.142  154.811 RF   77.9 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   77.9 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.166   59.074  160.520 RF   77.9 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   77.8 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   12.483   21.810  155.358 RF   77.7 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.302   50.743  192.838 RF   77.7 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  214.423   56.768  173.963 RF   77.7 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.853   49.425  194.168 RF   77.7 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   77.6 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   93.410   30.408  100.003 RF   77.6 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.105   29.162  138.969 RF   77.5 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.453   21.186  136.283 RF   77.5 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.306   29.978  154.977 RF   77.4 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   77.3 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  131.617   36.655  164.234 RF   77.3 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   88.596   14.547  113.772 RF   77.2 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   77.2 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  108.160   30.031  138.942 RF   77.2 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.387   20.578  161.440 RF   77.1 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.561   28.504  159.572 RF   77.1 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  353.579   30.665  168.047 RF   77.1 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.078   44.065  153.168 RF   77.1 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.705   28.038  181.965 RF   77.1 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.131   39.299  209.416 RF   77.1 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.087   47.928  196.726 RF   77.1 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.262   28.939  129.773 RF   77.0 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   38.861   16.401  156.062 RF   77.0 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.581   30.297  164.048 RF   77.0 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  210.850   39.450  164.662 RF   76.9 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.614   52.183  186.085 RF   76.9 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.791   30.761  150.363 RF   76.8 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   76.8 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.275   54.297  181.356 RF   76.8 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   43.782   37.374  212.340 RF   76.7 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   82.174   32.079  212.797 RF   76.6 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.227   45.283  158.453 RF   76.6 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  251.757   23.300  178.313 RF   76.5 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.303   26.896  133.601 RF   76.5 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.047   28.565  158.082 RF   76.5 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.257   30.048  168.017 RF   76.5 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  147.239   28.399  136.646 RF   76.5 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.526   31.131  133.953 RF   76.4 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.674   29.315  136.354 RF   76.4 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.279   27.013  139.028 RF   76.4 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.182   36.981  179.693 RF   76.4 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  218.966   34.600  185.712 RF   76.4 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.765   26.601  136.983 RF   76.3 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  177.081   30.634  164.104 RF   76.2 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  233.342   30.768  159.195 RF   76.2 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.683   28.520  158.446 RF   76.2 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   21.857   46.476  196.197 RF   76.2 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.278   40.307  158.593 RF   76.2 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.791   32.132  146.853 RF   76.2 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.560   45.317  156.800 RF   76.2 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.862   32.433  178.320 RF   76.2 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.760   41.761  152.978 RF   76.1 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.296   30.768  159.195 RF   76.1 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.743   34.377  143.791 RF   75.9 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  116.193   13.908   85.859 RF   75.9 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.350   24.444   96.617 RF   75.8 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.583   40.879  160.397 RF   75.7 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.820   38.127  146.797 RF   75.7 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  182.024   40.582  148.556 RF   75.6 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.460   21.314  150.409 RF   75.6 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.828   31.579  154.758 RF   75.5 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.749   32.036  139.851 RF   75.5 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.398   57.665  177.443 RF   75.5 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   25.214   19.891  151.386 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.974   29.645  155.250 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   14.334   23.518  135.651 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   49.289   33.293  141.902 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.308   53.759  154.829 RF   75.4 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  212.936   41.167  203.145 RF   75.4 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  201.232   44.691  195.382 RF   75.4 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.474   32.698  151.429 RF   75.4 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.664   30.768  159.195 RF   75.3 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.392   19.880  167.093 RF   75.3 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  186.873   43.841  170.156 RF   75.2 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.224   25.260  140.714 RF   75.2 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.500   39.817  171.071 RF   75.1 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  191.680   46.966  185.047 RF   75.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.483   42.272  158.790 RF   75.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  137.940   55.679  141.632 RF   75.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.414    5.368  211.612 RF   75.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  215.092   52.358  172.249 RF   75.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  235.914   22.908  223.669 RF   75.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.463   11.731  223.636 RF   75.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   17.831   18.414  140.969 RF   74.9 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  270.077   26.844  178.929 RF   74.9 RFZ  2.91 # DEEP


   This TF set has 173 trial orientations


   #    Euler                  Rot-LLG      RF     RFZ  Ensemble
   1     260.3   25.9  169.4      88.9    87.2     4.3 helix_pdb
   2      61.8   25.2  150.8      88.6    85.8     4.1 helix_pdb
   3     254.3   27.7  166.2      86.2    84.4     3.9 helix_pdb
   4      51.9   24.9  151.8      87.3    84.4     3.9 helix_pdb
   5     154.7   35.4  158.0      85.0    84.2     3.9 helix_pdb
   6      81.5   25.9  148.9      86.6    84.1     3.9 helix_pdb
   7     330.4   24.0  161.8      86.8    83.9     3.9 helix_pdb
   8     144.5   34.2  148.9      86.7    83.8     3.9 helix_pdb
   9      65.1   29.9  146.5      86.0    83.6     3.9 helix_pdb
   10    266.4   24.0  172.4      85.0    83.6     3.9 helix_pdb
   11     95.2   25.2  143.9      85.9    83.4     3.8 helix_pdb
   12     68.5   27.2  153.3      84.0    83.2     3.8 helix_pdb
   13    311.9   26.5  162.4      86.0    83.2     3.8 helix_pdb
   14    105.0   25.8  143.1      84.7    83.0     3.8 helix_pdb
   15    299.9   24.6  165.6      84.5    82.9     3.8 helix_pdb
   16    119.8   27.8  146.6      84.5    82.8     3.8 helix_pdb
   17    130.9   39.3  153.8      84.5    82.8     3.8 helix_pdb
   18    240.9   26.8  170.8      83.8    82.3     3.7 helix_pdb
   19    114.5   26.4  142.5      83.3    82.2     3.7 helix_pdb
   20    231.2   27.3  171.5      83.7    82.0     3.7 helix_pdb
   21    290.4   33.1  166.7      84.1    82.0     3.7 helix_pdb
   22     66.9   34.6  143.2      84.0    82.0     3.7 helix_pdb
   23     41.8   24.6  152.9      84.5    81.9     3.7 helix_pdb
   24    238.5   34.6  163.9      84.2    81.9     3.7 helix_pdb
   25    243.8   38.1  168.7      83.5    81.8     3.7 helix_pdb
   26    332.6   27.0  170.3      84.0    81.7     3.7 helix_pdb
   27     98.1   38.3  149.4      84.0    81.7     3.7 helix_pdb
   28      1.1   24.0  157.9      84.6    81.7     3.7 helix_pdb
   29    281.6   33.4  166.5      83.9    81.7     3.7 helix_pdb
   30    136.3   40.2  158.3      83.6    81.6     3.6 helix_pdb
   31    125.0   29.0  150.7      84.3    81.5     3.6 helix_pdb
   32    138.4   28.8  146.0      84.9    81.4     3.6 helix_pdb
   33     86.2   34.2  153.4      82.4    81.3     3.6 helix_pdb
   34    179.4   35.7  151.0      82.9    81.3     3.6 helix_pdb
   ----- angles below here for deep search only -----
   35    226.1   28.7  167.3      82.5    81.2     3.6 helix_pdb
   36     89.7   37.8  148.5      83.8    81.2     3.6 helix_pdb
   37    316.8   32.1  167.6      82.3    81.1     3.6 helix_pdb
   38    286.9   23.0  169.8      83.1    81.0     3.6 helix_pdb
   39    276.5   23.5  171.3      83.0    81.0     3.6 helix_pdb
   40    114.5   38.8  151.6      83.2    80.8     3.6 helix_pdb
   41     56.3   20.6  156.8      83.8    80.7     3.5 helix_pdb
   42    161.0   30.0  141.4      83.7    80.6     3.5 helix_pdb
   43    350.9   26.2  159.2      83.2    80.3     3.5 helix_pdb
   44     72.9   36.8  146.8      83.2    80.3     3.5 helix_pdb
   45    133.6   27.8  141.5      82.3    80.3     3.5 helix_pdb
   46    351.9   21.7  148.5      82.4    80.2     3.5 helix_pdb
   47    170.1   30.7  141.5      84.1    80.2     3.5 helix_pdb
   48    331.0   25.5  151.2      80.7    80.1     3.5 helix_pdb
   49     94.9   34.5  153.8      81.4    80.1     3.5 helix_pdb
   50    168.8   39.9  163.1      81.8    80.0     3.5 helix_pdb
   51    246.3   25.1  174.6      81.3    79.9     3.5 helix_pdb
   52     10.7   27.0  148.4      81.0    79.8     3.5 helix_pdb
   53    217.5   27.2  176.3      81.1    79.8     3.5 helix_pdb
   54    248.3   29.3  162.7      80.3    79.7     3.4 helix_pdb
   55    219.0   39.2  165.8      82.0    79.7     3.4 helix_pdb
   56    168.9   35.3  142.5      81.6    79.7     3.4 helix_pdb
   57    296.4   20.6  159.3      81.0    79.6     3.4 helix_pdb
   58    152.6   30.0  150.4      81.4    79.5     3.4 helix_pdb
   59    322.8   28.6  160.3      81.1    79.2     3.4 helix_pdb
   60     30.4   24.9  165.3      79.8    79.2     3.4 helix_pdb
   61    232.6   37.5  171.1      81.3    79.1     3.4 helix_pdb
   62    204.2   35.1  161.6      80.6    79.0     3.4 helix_pdb
   63    260.3   37.3  170.7      80.7    79.0     3.4 helix_pdb
   64    285.3   35.8  173.3      80.9    78.9     3.4 helix_pdb
   65    188.5   36.1  151.9      79.9    78.9     3.3 helix_pdb
   66    335.6   60.2  153.7      79.4    78.8     3.3 helix_pdb
   67     27.1   27.8  147.5      80.2    78.8     3.3 helix_pdb
   68    163.6   40.0  158.2      81.0    78.6     3.3 helix_pdb
   69    221.3   35.0  162.8      80.7    78.6     3.3 helix_pdb
   70    155.4   40.0  157.0      81.1    78.6     3.3 helix_pdb
   71    302.5   34.5  174.6      80.3    78.5     3.3 helix_pdb
   72     74.0   36.1  212.8      79.0    78.5     3.3 helix_pdb
   73    195.6   35.3  161.0      79.4    78.5     3.3 helix_pdb
   74    276.8   36.5  172.7      80.2    78.3     3.3 helix_pdb
   75    248.5   40.7  162.8      81.0    78.3     3.3 helix_pdb
   76    174.8   35.2  168.2      80.1    78.2     3.3 helix_pdb
   77    183.4   40.2  156.6      80.6    78.2     3.3 helix_pdb
   78    242.6   48.3  196.3      79.6    78.2     3.3 helix_pdb
   79    266.8   29.1  162.3      79.2    78.2     3.3 helix_pdb
   80     29.9   26.5  156.0      79.7    78.2     3.3 helix_pdb
   81    264.7   40.4  165.3      78.8    78.1     3.3 helix_pdb
   82    165.5   35.6  167.6      80.4    78.1     3.3 helix_pdb
   83    352.1   21.6  169.2      79.3    78.0     3.2 helix_pdb
   84    224.3   30.8  179.4      79.5    77.9     3.2 helix_pdb
   85    139.5   30.1  154.8      78.1    77.9     3.2 helix_pdb
   86     60.8   26.6  129.6      80.1    77.9     3.2 helix_pdb
   87    204.2   59.1  160.5      79.1    77.9     3.2 helix_pdb
   88     42.6   32.8  151.2      78.4    77.8     3.2 helix_pdb
   89     12.5   21.8  155.4      80.0    77.7     3.2 helix_pdb
   90    194.3   50.7  192.8      78.9    77.7     3.2 helix_pdb
   91    214.4   56.8  174.0      77.5    77.7     3.2 helix_pdb
   92     55.9   49.4  194.2      79.0    77.7     3.2 helix_pdb
   93     10.9   21.0  165.8      78.5    77.6     3.2 helix_pdb
   94     93.4   30.4  100.0      78.6    77.6     3.2 helix_pdb
   95     99.1   29.2  139.0      78.9    77.5     3.2 helix_pdb
   96     84.5   21.2  136.3      78.8    77.5     3.2 helix_pdb
   97    130.3   30.0  155.0      77.6    77.4     3.2 helix_pdb
   98    207.9   27.9  176.7      78.8    77.3     3.2 helix_pdb
   99    131.6   36.7  164.2      76.4    77.3     3.2 helix_pdb
   100    88.6   14.5  113.8      77.5    77.2     3.2 helix_pdb
   101    35.0   58.5  174.9      78.2    77.2     3.2 helix_pdb
   102   108.2   30.0  138.9      79.0    77.2     3.2 helix_pdb
   103   285.4   20.6  161.4      77.2    77.1     3.2 helix_pdb
   104   341.6   28.5  159.6      78.1    77.1     3.2 helix_pdb
   105   353.6   30.7  168.0      77.0    77.1     3.2 helix_pdb
   106   140.1   44.1  153.2      78.7    77.1     3.2 helix_pdb
   107   304.7   28.0  182.0      79.7    77.1     3.2 helix_pdb
   108    37.1   39.3  209.4      77.5    77.1     3.1 helix_pdb
   109    63.1   47.9  196.7      78.4    77.1     3.1 helix_pdb
   110    79.3   28.9  129.8      80.2    77.0     3.1 helix_pdb
   111    38.9   16.4  156.1      78.1    77.0     3.1 helix_pdb
   112   192.6   30.3  164.0      75.3    77.0     3.1 helix_pdb
   113   210.9   39.5  164.7      79.5    76.9     3.1 helix_pdb
   114   232.6   52.2  186.1      79.0    76.9     3.1 helix_pdb
   115   170.8   30.8  150.4      78.8    76.8     3.1 helix_pdb
   116   207.4   29.4  167.8      77.1    76.8     3.1 helix_pdb
   117   227.3   54.3  181.4      78.4    76.8     3.1 helix_pdb
   118    43.8   37.4  212.3      77.5    76.7     3.1 helix_pdb
   119    82.2   32.1  212.8      77.3    76.6     3.1 helix_pdb
   120   206.2   45.3  158.5      77.6    76.6     3.1 helix_pdb
   121   251.8   23.3  178.3      78.4    76.5     3.1 helix_pdb
   122    47.3   26.9  133.6      78.9    76.5     3.1 helix_pdb
   123    19.0   28.6  158.1      75.9    76.5     3.1 helix_pdb
   124     9.3   30.0  168.0      76.4    76.5     3.1 helix_pdb
   125   147.2   28.4  136.6      77.8    76.5     3.1 helix_pdb
   126    84.5   31.1  134.0      79.3    76.4     3.1 helix_pdb
   127   156.7   29.3  136.4      77.4    76.4     3.1 helix_pdb
   128    31.3   27.0  139.0      78.6    76.4     3.1 helix_pdb
   129   206.2   37.0  179.7      78.1    76.4     3.1 helix_pdb
   130   219.0   34.6  185.7      78.1    76.4     3.1 helix_pdb
   131   128.8   26.6  137.0      78.2    76.3     3.1 helix_pdb
   132   177.1   30.6  164.1      73.4    76.2     3.1 helix_pdb
   133   233.3   30.8  159.2      73.7    76.2     3.1 helix_pdb
   134     9.7   28.5  158.4      75.8    76.2     3.1 helix_pdb
   135    21.9   46.5  196.2      77.8    76.2     3.1 helix_pdb
   136   197.3   40.3  158.6      79.0    76.2     3.1 helix_pdb
   137   194.8   32.1  146.9      77.6    76.2     3.1 helix_pdb
   138   197.6   45.3  156.8      77.5    76.2     3.0 helix_pdb
   139   206.9   32.4  178.3      77.4    76.2     3.0 helix_pdb
   140   209.8   41.8  153.0      77.8    76.1     3.0 helix_pdb
   141   224.3   30.8  159.2      73.8    76.1     3.0 helix_pdb
   142    37.7   34.4  143.8      77.1    75.9     3.0 helix_pdb
   143   116.2   13.9   85.9      76.1    75.9     3.0 helix_pdb
   144   300.4   24.4   96.6      77.6    75.8     3.0 helix_pdb
   145   125.6   40.9  160.4      76.9    75.7     3.0 helix_pdb
   146   136.8   38.1  146.8      77.7    75.7     3.0 helix_pdb
   147   182.0   40.6  148.6      78.0    75.6     3.0 helix_pdb
   148    89.5   21.3  150.4      76.9    75.6     3.0 helix_pdb
   149   209.8   31.6  154.8      72.5    75.5     3.0 helix_pdb
   150   239.7   32.0  139.9      76.1    75.5     3.0 helix_pdb
   151    42.4   57.7  177.4      76.8    75.5     3.0 helix_pdb
   152    25.2   19.9  151.4      77.4    75.4     3.0 helix_pdb
   153   112.0   29.6  155.3      75.6    75.4     3.0 helix_pdb
   154    14.3   23.5  135.7      77.6    75.4     3.0 helix_pdb
   155    49.3   33.3  141.9      76.8    75.4     3.0 helix_pdb
   156   156.3   53.8  154.8      75.5    75.4     3.0 helix_pdb
   157   212.9   41.2  203.1      76.7    75.4     3.0 helix_pdb
   158   201.2   44.7  195.4      75.9    75.4     3.0 helix_pdb
   159   221.5   32.7  151.4      73.2    75.4     3.0 helix_pdb
   160   296.7   30.8  159.2      73.1    75.3     3.0 helix_pdb
   161   316.4   19.9  167.1      75.9    75.3     3.0 helix_pdb
   162   186.9   43.8  170.2      76.3    75.2     2.9 helix_pdb
   163    52.2   25.3  140.7      77.3    75.2     2.9 helix_pdb
   164   174.5   39.8  171.1      77.1    75.1     2.9 helix_pdb
   165   191.7   47.0  185.0      75.9    75.1     2.9 helix_pdb
   166   242.5   42.3  158.8      77.0    75.1     2.9 helix_pdb
   167   137.9   55.7  141.6      76.7    75.1     2.9 helix_pdb
   168   101.4    5.4  211.6      76.2    75.0     2.9 helix_pdb
   169   215.1   52.4  172.2      74.1    75.0     2.9 helix_pdb
   170   235.9   22.9  223.7      76.1    75.0     2.9 helix_pdb
   171    72.5   11.7  223.6      75.9    75.0     2.9 helix_pdb
   172    17.8   18.4  141.0      76.3    74.9     2.9 helix_pdb
   173   270.1   26.8  178.9      76.3    74.9     2.9 helix_pdb

      34 trial orientations in initial search
      139 trial orientations in deep search


   Scoring 519 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #5 of 8
   0%       100%
   |=========| DONE

   Mean Score (Sigma):       35.91   ( 9.92)

   SET #5 of 8 TRIAL #1 of 34
   --------------------------
   Ensemble helix_pdb Euler 260.25  25.95 169.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 48 sites over 67.5% of top
   48 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.756  0.033  0.430     99.359  4.54
   2      0.256  0.533  0.430     99.359  4.54
   3      0.580  0.284  0.936     98.845  4.45
   #Sites = 48: output truncated to 3 sites

   Top 48 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #1 of 34
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 15 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.884  0.610  0.813     88.362  4.07   0.0      2     96.542/    96.542
   2      0.106  0.459  0.213     84.825  3.97   4.3      4     95.940/    98.018
   3      0.177  0.927  0.096     83.565  4.00  12.8      4     96.133/    96.133
   #SITES = 15: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #2 of 34
   --------------------------
   Ensemble helix_pdb Euler  61.81  25.19 150.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 40 sites over 67.5% of top
   40 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.616  0.545  0.037     98.481  4.40
   2      0.116  0.045  0.037     98.481  4.40
   3      0.814  0.948  0.063     98.323  4.37
   #Sites = 40: output truncated to 3 sites

   Top 40 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #2 of 34
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 15 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.394  0.774  0.981     83.443  4.01   0.0      2     96.146/    96.146
   2      0.894  0.124  0.945     81.986  4.30  45.5      2     97.885/    97.885
   3      0.085  0.900  0.614     81.334  3.86  22.5      2     95.233/    95.233
   #SITES = 15: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #3 of 34
   --------------------------
   Ensemble helix_pdb Euler 254.25  27.73 166.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 34 sites over 67.5% of top
   34 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.605  0.026  0.764     99.429  4.72
   2      0.105  0.526  0.764     99.429  4.72
   3      0.603  0.024  0.759     98.520  4.57
   #Sites = 34: output truncated to 3 sites

   Top 34 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #3 of 34
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.603  0.024  0.759     89.020  4.57   0.0      4     98.520/    99.429
   2      0.841  0.997  0.347     78.677  4.33  28.6      2     97.081/    97.081
   3      0.703  0.094  0.998     78.172  4.06  11.7      4     95.382/    97.021
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #4 of 34
   --------------------------
   Ensemble helix_pdb Euler  51.87  24.86 151.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 22 sites over 67.5% of top
   22 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.359  0.896  0.172     96.715  4.47
   2      0.859  0.396  0.172     96.715  4.47
   3      0.360  0.368  0.173     96.596  4.45
   #Sites = 22: output truncated to 3 sites

   Top 22 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #4 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.586  0.362  0.605     86.051  4.22   0.0      4     95.239/    95.288
   2      0.860  0.868  0.173     80.376  4.45  30.0      2     96.596/    96.596
   3      0.105  0.954  0.156     79.144  4.26  24.1      2     95.496/    95.496
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #5 of 34
   --------------------------
   Ensemble helix_pdb Euler 154.74  35.36 158.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 58 sites over 67.5% of top
   58 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.663  0.939  0.154     101.45  5.02
   2      0.163  0.439  0.154     101.45  5.02
   3      0.282  0.862  0.236     100.73  4.90
   #Sites = 58: output truncated to 3 sites

   Top 58 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #5 of 34
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 17 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.989  0.891  0.624     84.062  4.42   0.0      4     97.768/    97.768
   2      0.163  0.439  0.154     82.541  5.02  27.6      4    101.446/   101.446
   3      0.690  0.390  0.707     81.721  4.53  33.5      4     98.437/    98.437
   #SITES = 17: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #6 of 34
   --------------------------
   Ensemble helix_pdb Euler  81.53  25.92 148.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 30 sites over 67.5% of top
   30 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.797  0.019  0.066     99.396  4.84
   2      0.297  0.519  0.066     99.396  4.84
   3      0.598  0.601  0.041     98.228  4.65
   #Sites = 30: output truncated to 3 sites

   Top 30 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #6 of 34
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.797  0.019  0.066     87.786  4.84   0.0      4     99.396/    99.396
   2      0.875  0.178  0.942     83.987  4.25  14.2      2     95.826/    95.826
   3      0.692  0.123  0.272     81.736  4.06  20.8      4     94.650/    96.199
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #7 of 34
   --------------------------
   Ensemble helix_pdb Euler 330.42  24.03 161.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.849  0.562  0.154     96.796  4.72
   2      0.349  0.062  0.154     96.796  4.72
   3      0.692  0.076  0.457     96.331  4.64
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #7 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.192  0.576  0.457     79.595  4.64   0.0      2     96.331/    96.331
   2      0.849  0.562  0.154     78.542  4.72  24.3      2     96.796/    96.796
   3      0.585  0.047  0.235     75.367  4.27  20.3      2     94.085/    94.085
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #8 of 34
   --------------------------
   Ensemble helix_pdb Euler 144.54  34.20 148.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 30 sites over 67.5% of top
   30 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.718  0.554  0.380     98.631  4.74
   2      0.218  0.054  0.380     98.631  4.74
   3      0.282  0.097  0.183     97.944  4.63
   #Sites = 30: output truncated to 3 sites

   Top 30 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #8 of 34
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.008  0.943  0.618     86.031  4.55   0.0      2     97.450/    97.450
   2      0.757  0.913  0.794     82.769  4.21  31.6      4     95.328/    95.328
   3      0.218  0.054  0.380     78.613  4.74  21.2      2     98.631/    98.631
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #9 of 34
   --------------------------
   Ensemble helix_pdb Euler  65.08  29.91 146.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.350  0.991  0.162     97.324  4.68
   2      0.850  0.491  0.162     97.324  4.68
   3      0.583  0.358  0.614     96.807  4.60
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #9 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.583  0.358  0.614     87.484  4.60   0.0      2     96.807/    96.807
   2      0.920  0.034  0.738     86.885  4.28  27.8      2     94.921/    94.921
   3      0.808  0.882  0.052     84.950  4.58  24.2      2     96.704/    96.704
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #10 of 34
   ---------------------------
   Ensemble helix_pdb Euler 266.43  24.03 172.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.632  0.927  0.226     97.255  5.02
   2      0.132  0.427  0.226     97.255  5.02
   3      0.627  0.927  0.218     95.180  4.67
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #10 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.627  0.927  0.218     87.661  4.67   0.0      4     95.180/    97.255
   2      0.088  0.942  0.106     75.010  4.45  32.8      2     93.897/    93.897

   SET #5 of 8 TRIAL #11 of 34
   ---------------------------
   Ensemble helix_pdb Euler  95.22  25.15 143.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.751  0.203  0.159     97.120  4.73
   2      0.251  0.703  0.159     97.120  4.73
   3      0.422  0.111  0.722     95.970  4.54
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #11 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.751  0.203  0.159     83.430  4.73   0.0      4     97.120/    97.120
   2      0.422  0.111  0.722     75.779  4.54  21.8      4     95.970/    95.970

   SET #5 of 8 TRIAL #12 of 34
   ---------------------------
   Ensemble helix_pdb Euler  68.53  27.20 153.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 46 sites over 67.5% of top
   46 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.794  0.966  0.058     102.17  5.19
   2      0.294  0.466  0.058     102.17  5.19
   3      0.352  0.521  0.915      98.56  4.60
   #Sites = 46: output truncated to 3 sites

   Top 46 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #12 of 34
   0%  100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.794  0.966  0.058     84.597  5.19   0.0      2     102.17/    102.17
   2      0.874  0.295  0.976     81.827  4.15  13.9      2      95.76/     95.76
   3      0.787  0.480  0.720     77.074  4.21  24.0      2      96.15/     96.15
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #13 of 34
   ---------------------------
   Ensemble helix_pdb Euler 311.90  26.45 162.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 36 sites over 67.5% of top
   36 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.809  0.583  0.330     100.37  5.03
   2      0.309  0.083  0.330     100.37  5.03
   3      0.638  0.484  0.885      98.94  4.79
   #Sites = 36: output truncated to 3 sites

   Top 36 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #13 of 34
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 14 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.890  0.690  0.716     84.992  4.41   0.0      2     96.551/    96.551
   2      0.274  0.962  0.024     83.791  4.22  28.0      2     95.420/    95.420
   3      0.337  0.575  0.557     82.386  4.33  16.7      4     96.080/    96.080
   #SITES = 14: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #14 of 34
   ---------------------------
   Ensemble helix_pdb Euler 105.00  25.77 143.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.796  0.318  0.443     96.605  4.70
   2      0.296  0.818  0.443     96.605  4.70
   3      0.607  0.203  0.606     96.046  4.61
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #14 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.832  0.081  0.188     85.509  4.48   0.0      2     95.266/    95.266
   2      0.787  0.597  0.072     82.422  4.49  12.8      2     95.357/    95.357
   3      0.796  0.318  0.443     80.012  4.70  19.3      2     96.605/    96.605
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #15 of 34
   ---------------------------
   Ensemble helix_pdb Euler 299.94  24.57 165.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.685  0.449  0.001     94.401  4.57
   2      0.185  0.949  0.001     94.401  4.57

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #15 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.685  0.449  0.001     84.073  4.57   0.0      2     94.401/    94.401

   SET #5 of 8 TRIAL #16 of 34
   ---------------------------
   Ensemble helix_pdb Euler 119.80  27.80 146.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 26 sites over 67.5% of top
   26 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.302  0.568  0.185     102.12  5.43
   2      0.802  0.068  0.185     102.12  5.43
   3      0.316  0.735  0.932      99.12  4.93
   #Sites = 26: output truncated to 3 sites

   Top 26 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #16 of 34
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.302  0.568  0.185     90.049  5.43   0.0      2     102.12/    102.12
   2      0.612  0.294  0.999     80.048  4.59  19.0      4      97.06/     97.06
   3      0.756  0.084  0.077     79.724  4.15  18.0      2      94.42/     94.42
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #17 of 34
   ---------------------------
   Ensemble helix_pdb Euler 130.85  39.28 153.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.743  0.891  0.251     95.049  4.86
   2      0.243  0.391  0.251     95.049  4.86
   3      0.701  0.871  0.143     93.933  4.67
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #17 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.743  0.891  0.251     82.954  4.86   0.0      2     95.049/    95.049
   2      0.701  0.871  0.143     79.546  4.67   5.3      2     93.933/    93.933
   3      0.177  0.899  0.587     76.589  4.57   7.9      2     93.336/    93.336
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #18 of 34
   ---------------------------
   Ensemble helix_pdb Euler 240.92  26.84 170.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.700  0.057  0.996     97.931  5.04
   2      0.200  0.557  0.996     97.931  5.04
   3      0.703  0.061  0.002     97.621  4.99
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #18 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.361  0.132  0.805     87.541  4.61   0.0      2     95.430/    95.430
   2      0.753  0.081  0.096     83.939  4.70  15.4      2     95.932/    95.932
   3      0.200  0.557  0.996     83.371  5.04  26.6      4     97.931/    97.931

   SET #5 of 8 TRIAL #19 of 34
   ---------------------------
   Ensemble helix_pdb Euler 114.54  26.45 142.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.322  0.593  0.188     97.558  4.99
   2      0.822  0.093  0.188     97.558  4.99
   3      0.632  0.319  0.003     95.855  4.70
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #19 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.822  0.093  0.188     90.708  4.99   0.0      2     97.558/    97.558
   2      0.632  0.319  0.003     80.134  4.70  14.4      2     95.855/    95.855
   3      0.284  0.834  0.443     78.230  4.46  31.3      2     94.445/    94.445

   SET #5 of 8 TRIAL #20 of 34
   ---------------------------
   Ensemble helix_pdb Euler 231.17  27.28 171.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.688  0.065  0.993     100.48  5.39
   2      0.188  0.565  0.993     100.48  5.39
   3      0.616  0.516  0.527      95.12  4.46
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #20 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.688  0.065  0.993     86.576  5.39   0.0      2     100.48/    100.48
   2      0.347  0.143  0.794     83.257  4.44  25.4      2      95.02/     95.02
   3      0.616  0.516  0.527     78.087  4.46  28.0      2      95.12/     95.12

   SET #5 of 8 TRIAL #21 of 34
   ---------------------------
   Ensemble helix_pdb Euler 290.39  33.10 166.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.321  0.177  0.883     95.814  4.60
   2      0.821  0.677  0.883     95.814  4.60
   3      0.325  0.176  0.890     94.319  4.35
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #21 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.321  0.177  0.883     77.779  4.60   0.0      4     95.814/    95.814

   SET #5 of 8 TRIAL #22 of 34
   ---------------------------
   Ensemble helix_pdb Euler  66.88  34.65 143.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #23 of 34
   ---------------------------
   Ensemble helix_pdb Euler  41.80  24.60 152.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.366  0.324  0.170     95.647  4.83
   2      0.866  0.824  0.170     95.647  4.83
   3      0.707  0.337  0.973     95.560  4.81
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #23 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.770  0.465  0.257     82.532  4.77   0.0      4     95.286/    95.286
   2      0.866  0.824  0.170     81.097  4.83  15.7      2     95.647/    95.647
   3      0.707  0.337  0.973     78.866  4.81  15.3      2     95.560/    95.560
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #24 of 34
   ---------------------------
   Ensemble helix_pdb Euler 238.45  34.59 163.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.711  0.673  0.512     96.542  4.78
   2      0.211  0.173  0.512     96.542  4.78
   3      0.679  0.685  0.179     96.476  4.77
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #24 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.684  0.201  0.297     79.934  4.37   0.0      4     94.101/    94.922
   2      0.715  0.677  0.521     78.370  4.59  16.9      4     95.405/    96.542
   3      0.484  0.447  0.459     75.519  4.59  27.0      2     95.399/    95.399
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #25 of 34
   ---------------------------
   Ensemble helix_pdb Euler 243.79  38.08 168.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #26 of 34
   ---------------------------
   Ensemble helix_pdb Euler 332.57  27.01 170.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.513  0.645  0.227     93.909  4.60
   2      0.013  0.145  0.227     93.909  4.60

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #26 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.013  0.145  0.227     77.975  4.60   0.0      2     93.909/    93.909

   SET #5 of 8 TRIAL #27 of 34
   ---------------------------
   Ensemble helix_pdb Euler  98.11  38.34 149.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.728  0.827  0.135     95.616  4.98
   2      0.228  0.327  0.135     95.616  4.98

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #27 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.228  0.327  0.135     86.939  4.98   0.0      2     95.616/    95.616

   SET #5 of 8 TRIAL #28 of 34
   ---------------------------
   Ensemble helix_pdb Euler   1.14  23.98 157.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.823  0.668  0.047     93.658  4.65
   2      0.323  0.168  0.047     93.658  4.65

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #28 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.823  0.668  0.047     76.356  4.65   0.0      2     93.658/    93.658

   SET #5 of 8 TRIAL #29 of 34
   ---------------------------
   Ensemble helix_pdb Euler 281.57  33.45 166.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.305  0.136  0.646     97.015  4.87
   2      0.805  0.636  0.646     97.015  4.87

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #29 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.805  0.636  0.646     73.317  4.87   0.0      2     97.015/    97.015

   SET #5 of 8 TRIAL #30 of 34
   ---------------------------
   Ensemble helix_pdb Euler 136.29  40.23 158.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.732  0.849  0.250     94.802  4.79
   2      0.232  0.349  0.250     94.802  4.79

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #30 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.732  0.849  0.250     81.115  4.79   0.0      2     94.802/    94.802

   SET #5 of 8 TRIAL #31 of 34
   ---------------------------
   Ensemble helix_pdb Euler 125.04  28.98 150.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 36 sites over 67.5% of top
   36 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.545  0.649  0.549     98.984  4.77
   2      0.045  0.149  0.549     98.984  4.77
   3      0.735  0.733  0.379     97.812  4.58
   #Sites = 36: output truncated to 3 sites

   Top 36 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #31 of 34
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 12 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.735  0.733  0.379     79.032  4.58   0.0      2     97.812/    97.812
   2      0.274  0.021  0.372     76.933  4.16  17.7      4     95.186/    95.733
   3      0.554  0.254  0.889     76.094  4.17  23.3      2     95.272/    95.272
   #SITES = 12: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #32 of 34
   ---------------------------
   Ensemble helix_pdb Euler 138.41  28.85 146.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.283  0.555  0.194     98.641  5.04
   2      0.783  0.055  0.194     98.641  5.04
   3      0.407  0.597  0.176     95.884  4.57
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #32 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.283  0.555  0.194     84.121  5.04   0.0      2     98.641/    98.641
   2      0.002  0.831  0.784     81.331  4.51  22.8      2     95.474/    95.474
   3      0.907  0.097  0.176     80.321  4.57  21.1      2     95.884/    95.884
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #33 of 34
   ---------------------------
   Ensemble helix_pdb Euler  86.17  34.18 153.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 28 sites over 67.5% of top
   28 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.791  0.926  0.580     103.19  5.48
   2      0.291  0.426  0.580     103.19  5.48
   3      0.757  0.456  0.352     102.08  5.29
   #Sites = 28: output truncated to 3 sites

   Top 28 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #33 of 34
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.291  0.426  0.580     87.298  5.48   0.0      4     103.19/    103.19
   2      0.321  0.432  0.371     79.675  4.16  15.2      2      95.23/     95.23
   3      0.760  0.489  0.040     79.457  5.09  27.5      4     100.85/    101.28
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #34 of 34
   ---------------------------
   Ensemble helix_pdb Euler 179.38  35.69 151.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.704  0.505  0.389     93.643  4.47
   2      0.204  0.005  0.389     93.643  4.47

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #34 of 34
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.704  0.505  0.389     69.193  4.47   0.0      2     93.643/    93.643


----------------------------
TRANSLATION FUNCTION #6 OF 8
----------------------------


   SOLU SET  RFZ=4.6 TFZ=3.4 PAK=0 LLG=58
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  124.5   28.2  182.8 FRAC -0.17 -0.02 -0.49 BFAC -9.05
   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   85.3 RFZ  4.07

   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   85.2 RFZ  4.05

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.424   24.033  161.846 RF   84.4 RFZ  3.96

   SOLU TRIAL ENSEMBLE helix_pdb EULER   51.869   24.857  151.761 RF   84.2 RFZ  3.94

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.535   25.925  148.923 RF   84.2 RFZ  3.94

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   83.9 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   83.6 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   83.4 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   83.2 RFZ  3.83

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   83.1 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   83.0 RFZ  3.81

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.201   26.601  163.128 RF   82.6 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   82.6 RFZ  3.76

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   82.5 RFZ  3.75

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   82.2 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   82.2 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   82.1 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   82.1 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   81.8 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   81.7 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   81.5 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   81.4 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   81.3 RFZ  3.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   81.2 RFZ  3.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   81.1 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   81.1 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   80.9 RFZ  3.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   80.8 RFZ  3.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   80.7 RFZ  3.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   80.7 RFZ  3.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   80.7 RFZ  3.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   80.7 RFZ  3.55 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   80.5 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   80.5 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   80.5 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   80.4 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   80.4 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   80.3 RFZ  3.51 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   80.3 RFZ  3.51 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   80.2 RFZ  3.50 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   80.1 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   80.1 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   80.0 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   79.7 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   79.7 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   79.7 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   79.7 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   79.5 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   79.1 RFZ  3.37 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   79.0 RFZ  3.37 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   78.9 RFZ  3.36 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   78.9 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   78.9 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   78.8 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   78.7 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   78.6 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   78.6 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   78.5 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   78.5 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   29.925   26.470  156.022 RF   78.5 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   78.3 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   78.3 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   74.017   36.083  212.756 RF   78.3 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   78.0 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   78.0 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.853   49.425  194.168 RF   77.9 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   77.9 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   77.8 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.844   29.075  162.258 RF   77.8 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   77.7 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   77.7 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   77.7 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   77.6 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.203   35.142  161.594 RF   77.5 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.561   28.504  159.572 RF   77.4 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.388   40.196  156.612 RF   77.4 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.087   47.928  196.726 RF   77.4 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.683   28.520  158.446 RF   77.4 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.047   28.565  158.082 RF   77.2 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   77.1 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   82.174   32.079  212.797 RF   77.0 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   76.9 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   76.9 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   76.9 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.262   28.939  129.773 RF   76.9 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.398   57.665  177.443 RF   76.8 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.131   39.299  209.416 RF   76.8 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   21.857   46.476  196.197 RF   76.7 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   76.7 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   76.7 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   76.7 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   76.7 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.619   48.334  196.267 RF   76.7 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  108.160   30.031  138.942 RF   76.7 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.649   35.266  161.001 RF   76.6 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.791   30.761  150.363 RF   76.6 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.771   36.460  172.722 RF   76.6 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.296   30.768  159.195 RF   76.4 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   76.4 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  139.502   30.142  154.811 RF   76.3 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   12.483   21.810  155.358 RF   76.3 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.105   29.162  138.969 RF   76.3 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.581   30.297  164.048 RF   76.2 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  147.239   28.399  136.646 RF   76.2 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   76.2 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   76.1 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.279   27.013  139.028 RF   76.1 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.110   30.878  154.447 RF   76.0 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  214.423   56.768  173.963 RF   76.0 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  233.342   30.768  159.195 RF   76.0 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.791   32.132  146.853 RF   76.0 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.560   45.317  156.800 RF   75.9 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   93.410   30.408  100.003 RF   75.9 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.828   31.579  154.758 RF   75.9 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.306   29.978  154.977 RF   75.8 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.341   42.998  110.954 RF   75.8 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.765   26.601  136.983 RF   75.8 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  131.617   36.655  164.234 RF   75.7 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.453   21.186  136.283 RF   75.6 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.182   36.981  179.693 RF   75.6 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  210.850   39.450  164.662 RF   75.6 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.674   29.315  136.354 RF   75.6 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.303   26.896  133.601 RF   75.5 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.732   40.369  165.315 RF   75.5 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.227   45.283  158.453 RF   75.5 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.526   31.131  133.953 RF   75.5 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.974   29.645  155.250 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  251.757   23.300  178.313 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   88.596   14.547  113.772 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.463   11.731  223.636 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  306.520   14.352   74.543 RF   75.3 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.387   20.578  161.440 RF   75.3 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.350   24.444   96.617 RF   75.3 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  353.579   30.665  168.047 RF   75.3 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   38.861   16.401  156.062 RF   75.3 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.302   50.743  192.838 RF   75.2 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.705   28.038  181.965 RF   75.2 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.749   32.036  139.851 RF   75.2 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  177.081   30.634  164.104 RF   75.2 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.257   30.048  168.017 RF   75.2 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.724   13.530   93.504 RF   75.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.278   40.307  158.593 RF   75.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.078   44.065  153.168 RF   75.1 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.760   41.761  152.978 RF   75.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.414    5.368  211.612 RF   75.0 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.862   32.433  178.320 RF   75.0 RFZ  2.92 # DEEP


   This TF set has 147 trial orientations


   #    Euler                  Rot-LLG      RF     RFZ  Ensemble
   1     260.3   25.9  169.4      87.6    85.3     4.1 helix_pdb
   2      61.8   25.2  150.8      85.9    85.2     4.0 helix_pdb
   3     330.4   24.0  161.8      84.0    84.4     4.0 helix_pdb
   4      51.9   24.9  151.8      84.4    84.2     3.9 helix_pdb
   5      81.5   25.9  148.9      84.2    84.2     3.9 helix_pdb
   6     154.7   35.4  158.0      84.2    83.9     3.9 helix_pdb
   7      95.2   25.2  143.9      83.4    83.6     3.9 helix_pdb
   8     105.0   25.8  143.1      83.1    83.4     3.8 helix_pdb
   9     144.5   34.2  148.9      83.8    83.2     3.8 helix_pdb
   10    311.9   26.5  162.4      83.2    83.1     3.8 helix_pdb
   11    254.3   27.7  166.2      84.5    83.0     3.8 helix_pdb
   12    302.2   26.6  163.1      82.8    82.6     3.8 helix_pdb
   13    130.9   39.3  153.8      82.9    82.6     3.8 helix_pdb
   14    266.4   24.0  172.4      83.9    82.5     3.8 helix_pdb
   15     68.5   27.2  153.3      83.2    82.2     3.7 helix_pdb
   16    114.5   26.4  142.5      82.3    82.2     3.7 helix_pdb
   17     41.8   24.6  152.9      81.9    82.1     3.7 helix_pdb
   18    119.8   27.8  146.6      83.0    82.1     3.7 helix_pdb
   19    138.4   28.8  146.0      81.6    81.8     3.7 helix_pdb
   20     98.1   38.3  149.4      82.0    81.7     3.7 helix_pdb
   21     65.1   29.9  146.5      83.7    81.5     3.6 helix_pdb
   22    136.3   40.2  158.3      81.8    81.4     3.6 helix_pdb
   ----- angles below here for deep search only -----
   23    114.5   38.8  151.6      80.9    81.3     3.6 helix_pdb
   24    243.8   38.1  168.7      81.9    81.2     3.6 helix_pdb
   25    332.6   27.0  170.3      81.9    81.1     3.6 helix_pdb
   26    125.0   29.0  150.7      81.6    81.1     3.6 helix_pdb
   27    240.9   26.8  170.8      82.5    80.9     3.6 helix_pdb
   28    281.6   33.4  166.5      81.6    80.8     3.6 helix_pdb
   29    290.4   33.1  166.7      82.0    80.7     3.6 helix_pdb
   30     66.9   34.6  143.2      82.1    80.7     3.6 helix_pdb
   31     89.7   37.8  148.5      81.4    80.7     3.6 helix_pdb
   32      1.1   24.0  157.9      81.5    80.7     3.6 helix_pdb
   33    133.6   27.8  141.5      80.4    80.5     3.5 helix_pdb
   34    350.9   26.2  159.2      80.1    80.5     3.5 helix_pdb
   35    170.1   30.7  141.5      80.4    80.5     3.5 helix_pdb
   36    238.5   34.6  163.9      81.8    80.4     3.5 helix_pdb
   37     86.2   34.2  153.4      81.3    80.4     3.5 helix_pdb
   38    351.9   21.7  148.5      80.3    80.3     3.5 helix_pdb
   39    161.0   30.0  141.4      80.8    80.3     3.5 helix_pdb
   40    231.2   27.3  171.5      82.1    80.2     3.5 helix_pdb
   41    276.5   23.5  171.3      81.1    80.1     3.5 helix_pdb
   42    179.4   35.7  151.0      81.4    80.1     3.5 helix_pdb
   43    286.9   23.0  169.8      81.2    80.0     3.5 helix_pdb
   44     72.9   36.8  146.8      80.4    79.7     3.4 helix_pdb
   45     56.3   20.6  156.8      80.8    79.7     3.4 helix_pdb
   46    226.1   28.7  167.3      81.1    79.7     3.4 helix_pdb
   47    248.3   29.3  162.7      79.4    79.7     3.4 helix_pdb
   48    168.8   39.9  163.1      80.1    79.5     3.4 helix_pdb
   49     94.9   34.5  153.8      80.0    79.1     3.4 helix_pdb
   50    168.9   35.3  142.5      79.8    79.0     3.4 helix_pdb
   51    316.8   32.1  167.6      81.1    78.9     3.4 helix_pdb
   52    219.0   39.2  165.8      79.6    78.9     3.4 helix_pdb
   53    335.6   60.2  153.7      79.4    78.9     3.4 helix_pdb
   54    322.8   28.6  160.3      79.0    78.8     3.3 helix_pdb
   55    155.4   40.0  157.0      78.4    78.7     3.3 helix_pdb
   56    232.6   37.5  171.1      79.0    78.6     3.3 helix_pdb
   57    246.3   25.1  174.6      80.0    78.6     3.3 helix_pdb
   58    260.3   37.3  170.7      79.0    78.5     3.3 helix_pdb
   59    163.6   40.0  158.2      78.4    78.5     3.3 helix_pdb
   60     29.9   26.5  156.0      77.7    78.5     3.3 helix_pdb
   61    331.0   25.5  151.2      80.2    78.3     3.3 helix_pdb
   62     10.7   27.0  148.4      79.9    78.3     3.3 helix_pdb
   63     74.0   36.1  212.8      79.2    78.3     3.3 helix_pdb
   64    152.6   30.0  150.4      79.4    78.0     3.3 helix_pdb
   65    221.3   35.0  162.8      78.1    78.0     3.3 helix_pdb
   66     55.9   49.4  194.2      78.2    77.9     3.2 helix_pdb
   67    217.5   27.2  176.3      79.9    77.9     3.2 helix_pdb
   68     60.8   26.6  129.6      78.0    77.8     3.2 helix_pdb
   69    266.8   29.1  162.3      77.8    77.8     3.2 helix_pdb
   70    248.5   40.7  162.8      78.3    77.7     3.2 helix_pdb
   71     42.6   32.8  151.2      77.8    77.7     3.2 helix_pdb
   72    188.5   36.1  151.9      78.8    77.7     3.2 helix_pdb
   73    296.4   20.6  159.3      79.7    77.6     3.2 helix_pdb
   74    204.2   35.1  161.6      78.7    77.5     3.2 helix_pdb
   75    341.6   28.5  159.6      76.7    77.4     3.2 helix_pdb
   76    183.4   40.2  156.6      78.1    77.4     3.2 helix_pdb
   77     63.1   47.9  196.7      77.5    77.4     3.2 helix_pdb
   78      9.7   28.5  158.4      75.6    77.4     3.2 helix_pdb
   79     19.0   28.6  158.1      75.9    77.2     3.2 helix_pdb
   80    285.3   35.8  173.3      79.1    77.1     3.2 helix_pdb
   81     82.2   32.1  212.8      76.9    77.0     3.1 helix_pdb
   82    302.5   34.5  174.6      78.7    76.9     3.1 helix_pdb
   83     35.0   58.5  174.9      77.7    76.9     3.1 helix_pdb
   84     30.4   24.9  165.3      79.1    76.9     3.1 helix_pdb
   85     79.3   28.9  129.8      76.9    76.9     3.1 helix_pdb
   86     42.4   57.7  177.4      75.8    76.8     3.1 helix_pdb
   87     37.1   39.3  209.4      77.4    76.8     3.1 helix_pdb
   88     21.9   46.5  196.2      76.5    76.7     3.1 helix_pdb
   89     10.9   21.0  165.8      77.6    76.7     3.1 helix_pdb
   90    352.1   21.6  169.2      77.9    76.7     3.1 helix_pdb
   91    174.8   35.2  168.2      78.2    76.7     3.1 helix_pdb
   92     27.1   27.8  147.5      78.7    76.7     3.1 helix_pdb
   93    242.6   48.3  196.3      78.5    76.7     3.1 helix_pdb
   94    108.2   30.0  138.9      76.8    76.7     3.1 helix_pdb
   95    195.6   35.3  161.0      78.0    76.6     3.1 helix_pdb
   96    170.8   30.8  150.4      76.7    76.6     3.1 helix_pdb
   97    276.8   36.5  172.7      78.3    76.6     3.1 helix_pdb
   98    224.3   30.8  159.2      75.5    76.4     3.1 helix_pdb
   99    165.5   35.6  167.6      78.1    76.4     3.1 helix_pdb
   100   139.5   30.1  154.8      77.7    76.3     3.1 helix_pdb
   101    12.5   21.8  155.4      77.4    76.3     3.1 helix_pdb
   102    99.1   29.2  139.0      77.2    76.3     3.1 helix_pdb
   103   192.6   30.3  164.0      76.6    76.2     3.1 helix_pdb
   104   147.2   28.4  136.6      76.5    76.2     3.1 helix_pdb
   105   207.9   27.9  176.7      77.3    76.2     3.1 helix_pdb
   106   224.3   30.8  179.4      77.8    76.1     3.0 helix_pdb
   107    31.3   27.0  139.0      76.4    76.1     3.0 helix_pdb
   108   176.1   30.9  154.4      74.4    76.0     3.0 helix_pdb
   109   214.4   56.8  174.0      78.0    76.0     3.0 helix_pdb
   110   233.3   30.8  159.2      75.7    76.0     3.0 helix_pdb
   111   194.8   32.1  146.9      76.1    76.0     3.0 helix_pdb
   112   197.6   45.3  156.8      76.2    75.9     3.0 helix_pdb
   113    93.4   30.4  100.0      77.8    75.9     3.0 helix_pdb
   114   209.8   31.6  154.8      75.1    75.9     3.0 helix_pdb
   115   130.3   30.0  155.0      77.2    75.8     3.0 helix_pdb
   116   287.3   43.0  111.0      73.9    75.8     3.0 helix_pdb
   117   128.8   26.6  137.0      76.2    75.8     3.0 helix_pdb
   118   131.6   36.7  164.2      77.3    75.7     3.0 helix_pdb
   119    84.5   21.2  136.3      77.4    75.6     3.0 helix_pdb
   120   206.2   37.0  179.7      76.3    75.6     3.0 helix_pdb
   121   210.9   39.5  164.7      76.6    75.6     3.0 helix_pdb
   122   156.7   29.3  136.4      76.4    75.6     3.0 helix_pdb
   123    47.3   26.9  133.6      76.5    75.5     3.0 helix_pdb
   124   264.7   40.4  165.3      78.2    75.5     3.0 helix_pdb
   125   206.2   45.3  158.5      76.7    75.5     3.0 helix_pdb
   126    84.5   31.1  134.0      76.2    75.5     3.0 helix_pdb
   127   112.0   29.6  155.3      75.1    75.4     3.0 helix_pdb
   128   251.8   23.3  178.3      76.5    75.4     3.0 helix_pdb
   129    88.6   14.5  113.8      77.5    75.4     3.0 helix_pdb
   130    72.5   11.7  223.6      75.3    75.4     3.0 helix_pdb
   131   207.4   29.4  167.8      76.6    75.4     3.0 helix_pdb
   132   306.5   14.4   74.5      74.5    75.3     3.0 helix_pdb
   133   285.4   20.6  161.4      77.1    75.3     3.0 helix_pdb
   134   300.4   24.4   96.6      76.3    75.3     3.0 helix_pdb
   135   353.6   30.7  168.0      77.0    75.3     3.0 helix_pdb
   136    38.9   16.4  156.1      77.1    75.3     3.0 helix_pdb
   137   194.3   50.7  192.8      77.9    75.2     3.0 helix_pdb
   138   304.7   28.0  182.0      77.0    75.2     2.9 helix_pdb
   139   239.7   32.0  139.9      75.6    75.2     2.9 helix_pdb
   140   177.1   30.6  164.1      76.0    75.2     2.9 helix_pdb
   141     9.3   30.0  168.0      76.3    75.2     2.9 helix_pdb
   142   287.7   13.5   93.5      74.6    75.2     2.9 helix_pdb
   143   197.3   40.3  158.6      76.0    75.2     2.9 helix_pdb
   144   140.1   44.1  153.2      77.2    75.1     2.9 helix_pdb
   145   209.8   41.8  153.0      76.1    75.1     2.9 helix_pdb
   146   101.4    5.4  211.6      75.3    75.0     2.9 helix_pdb
   147   206.9   32.4  178.3      76.0    75.0     2.9 helix_pdb

      22 trial orientations in initial search
      125 trial orientations in deep search


   Scoring 588 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #6 of 8
   0%      100%
   |========| DONE

   Mean Score (Sigma):       33.16   ( 9.96)

   SET #6 of 8 TRIAL #1 of 22
   --------------------------
   Ensemble helix_pdb Euler 260.25  25.95 169.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 36 sites over 67.5% of top
   36 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.580  0.707  0.433     98.511  4.74
   2      0.080  0.207  0.433     98.511  4.74
   3      0.551  0.559  0.375     97.367  4.55
   #Sites = 36: output truncated to 3 sites

   Top 36 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #1 of 22
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 17 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.551  0.559  0.375     81.995  4.55   0.0      2     97.367/    97.367
   2      0.089  0.260  0.657     80.409  4.23  35.3      2     95.475/    95.475
   3      0.169  0.591  0.588     78.856  4.10  24.4      2     94.694/    94.694
   #SITES = 17: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #2 of 22
   --------------------------
   Ensemble helix_pdb Euler  61.81  25.19 150.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 32 sites over 67.5% of top
   32 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.588  0.634  0.482     100.03  4.94
   2      0.088  0.134  0.482     100.03  4.94
   3      0.682  0.194  0.925      97.19  4.47
   #Sites = 32: output truncated to 3 sites

   Top 32 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #2 of 22
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 15 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.682  0.194  0.925     81.413  4.47   0.0      2     97.193/    97.193
   2      0.627  0.709  0.260     79.370  4.08  25.5      4     94.835/    95.035
   3      0.161  0.186  0.368     79.107  4.30  30.1      2     96.161/    96.161
   #SITES = 15: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #3 of 22
   --------------------------
   Ensemble helix_pdb Euler 330.42  24.03 161.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 22 sites over 67.5% of top
   22 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.586  0.787  0.234     98.413  5.08
   2      0.086  0.287  0.234     98.413  5.08
   3      0.605  0.296  0.012     98.003  5.01
   #Sites = 22: output truncated to 3 sites

   Top 22 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #3 of 22
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.602  0.303  0.008     81.628  4.58   0.0      4     95.361/    98.003
   2      0.059  0.292  0.903     79.224  4.53  28.0      2     95.095/    95.095
   3      0.197  0.282  0.461     79.055  4.97  25.9      2     97.779/    97.779
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #4 of 22
   --------------------------
   Ensemble helix_pdb Euler  51.87  24.86 151.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.620  0.092  0.036     97.785  4.84
   2      0.120  0.592  0.036     97.785  4.84
   3      0.669  0.653  0.368     96.969  4.71
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #4 of 22
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.670  0.655  0.370     83.987  4.51   0.0      4     95.760/    96.969
   2      0.026  0.575  0.581     78.723  4.24  26.3      2     94.124/    94.124
   3      0.120  0.592  0.036     76.466  4.84  29.3      2     97.785/    97.785
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #5 of 22
   --------------------------
   Ensemble helix_pdb Euler  81.53  25.92 148.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 34 sites over 67.5% of top
   34 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.606  0.321  0.043     97.318  4.70
   2      0.106  0.821  0.043     97.318  4.70
   3      0.631  0.710  0.824     96.923  4.63
   #Sites = 34: output truncated to 3 sites

   Top 34 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #5 of 22
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 15 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.314  0.597  0.489     81.472  4.29   0.0      2     94.807/    94.807
   2      0.650  0.289  0.379     80.404  4.42   9.9      2     95.610/    95.610
   3      0.631  0.710  0.824     79.315  4.63  22.6      2     96.923/    96.923
   #SITES = 15: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #6 of 22
   --------------------------
   Ensemble helix_pdb Euler 154.74  35.36 158.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 28 sites over 67.5% of top
   28 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.470  0.068  0.932     99.690  4.92
   2      0.970  0.568  0.932     99.690  4.92
   3      0.427  0.055  0.822     99.095  4.83
   #Sites = 28: output truncated to 3 sites

   Top 28 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #6 of 22
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.354  0.599  0.485     86.430  4.49   0.0      4     97.012/    97.012
   2      0.935  0.597  0.602     82.188  4.81  23.5      2     98.993/    98.993
   3      0.377  0.019  0.477     81.665  4.13  10.3      2     94.841/    94.841
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #7 of 22
   --------------------------
   Ensemble helix_pdb Euler  95.22  25.15 143.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.620  0.269  0.606     94.539  4.53
   2      0.120  0.769  0.606     94.539  4.53
   3      0.620  0.716  0.607     94.439  4.51
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #7 of 22
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.686  0.564  0.893     82.330  4.39   0.0      2     93.727/    93.727
   2      0.620  0.269  0.606     71.163  4.53  16.6      2     94.539/    94.539
   3      0.620  0.716  0.607     71.151  4.51  15.4      2     94.439/    94.439

   SET #6 of 8 TRIAL #8 of 22
   --------------------------
   Ensemble helix_pdb Euler 105.00  25.77 143.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.608  0.743  0.607     98.826  5.28
   2      0.108  0.243  0.607     98.826  5.28
   3      0.608  0.289  0.607     97.866  5.12
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #8 of 22
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.122  0.009  0.446     77.155  4.44   0.0      2     93.748/    93.748
   2      0.608  0.743  0.607     76.395  5.28  27.9      2     98.826/    98.826
   3      0.620  0.133  0.445     76.292  4.50  20.2      2     94.162/    94.162
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #9 of 22
   --------------------------
   Ensemble helix_pdb Euler 144.54  34.20 148.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 26 sites over 67.5% of top
   26 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.590  0.183  0.382     99.020  5.03
   2      0.090  0.683  0.382     99.020  5.03
   3      0.523  0.697  0.712     98.443  4.93
   #Sites = 26: output truncated to 3 sites

   Top 26 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #9 of 22
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.548  0.712  0.043     83.385  4.91   0.0      4     98.317/    98.317
   2      0.211  0.578  0.378     82.526  4.49  28.3      2     95.691/    95.691
   3      0.588  0.725  0.381     81.565  4.93  19.3      4     98.391/    98.391
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #10 of 22
   ---------------------------
   Ensemble helix_pdb Euler 311.90  26.45 162.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 34 sites over 67.5% of top
   34 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.563  0.747  0.777     97.820  4.75
   2      0.063  0.247  0.777     97.820  4.75
   3      0.340  0.208  0.007     95.783  4.42
   #Sites = 34: output truncated to 3 sites

   Top 34 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #10 of 22
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 16 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.313  0.681  0.219     80.014  4.17   0.0      2     94.236/    94.236
   2      0.889  0.154  0.890     79.826  4.34  18.9      2     95.293/    95.293
   3      0.063  0.247  0.777     78.087  4.75  24.3      2     97.820/    97.820
   #SITES = 16: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #11 of 22
   ---------------------------
   Ensemble helix_pdb Euler 254.25  27.73 166.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 22 sites over 67.5% of top
   22 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.536  0.589  0.369     101.31  5.28
   2      0.036  0.089  0.369     101.31  5.28
   3      0.509  0.266  0.980     100.61  5.16
   #Sites = 22: output truncated to 3 sites

   Top 22 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #11 of 22
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.536  0.589  0.369     90.348  5.28   0.0      6     101.31/    101.31
   2      0.509  0.266  0.980     83.054  5.16  21.2      2     100.61/    100.61

   SET #6 of 8 TRIAL #12 of 22
   ---------------------------
   Ensemble helix_pdb Euler 302.20  26.60 163.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 32 sites over 67.5% of top
   32 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.805  0.161  0.217     98.219  4.92
   2      0.305  0.661  0.217     98.219  4.92
   3      0.562  0.707  0.998     98.012  4.89
   #Sites = 32: output truncated to 3 sites

   Top 32 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #12 of 22
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.805  0.161  0.217     84.888  4.92   0.0      2     98.219/    98.219
   2      0.016  0.012  0.382     80.414  4.32  15.4      2     94.444/    94.444
   3      0.378  0.626  0.886     78.520  4.32  17.6      2     94.455/    94.455
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #13 of 22
   ---------------------------
   Ensemble helix_pdb Euler 130.85  39.28 153.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.701  0.595  0.642     93.196  4.77
   2      0.201  0.095  0.642     93.196  4.77
   3      0.302  0.063  0.264     92.838  4.71
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #13 of 22
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.802  0.563  0.264     79.263  4.71   0.0      2     92.838/    92.838
   2      0.201  0.095  0.642     76.139  4.77  12.7      2     93.196/    93.196

   SET #6 of 8 TRIAL #14 of 22
   ---------------------------
   Ensemble helix_pdb Euler 266.43  24.03 172.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.586  0.130  0.106     99.482  5.73
   2      0.086  0.630  0.106     99.482  5.73
   3      0.367  0.093  0.894     95.291  5.02
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #14 of 22
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.086  0.630  0.106     84.950  5.73   0.0      4     99.482/    99.482
   2      0.610  0.735  0.663     81.896  4.90  21.8      2     94.527/    94.527
   3      0.867  0.593  0.894     81.264  5.02   4.4      2     95.291/    95.291
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #15 of 22
   ---------------------------
   Ensemble helix_pdb Euler  68.53  27.20 153.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 46 sites over 67.5% of top
   46 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.600  0.674  0.030     99.338  5.00
   2      0.100  0.174  0.030     99.338  5.00
   3      0.604  0.677  0.035     98.475  4.86
   #Sites = 46: output truncated to 3 sites

   Top 46 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #15 of 22
   0%  100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 14 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.600  0.674  0.030     81.344  5.00   0.0      4     99.338/    99.338
   2      0.147  0.738  0.374     79.675  4.58  29.0      2     96.740/    96.740
   3      0.813  0.056  0.483     78.443  4.28  23.8      2     94.886/    94.886
   #SITES = 14: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #16 of 22
   ---------------------------
   Ensemble helix_pdb Euler 114.54  26.45 142.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.596  0.760  0.608     96.812  5.06
   2      0.096  0.260  0.608     96.812  5.06
   3      0.596  0.303  0.608     94.843  4.74
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #16 of 22
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.610  0.801  0.837     74.505  4.57   0.0      2     93.848/    93.848
   2      0.096  0.260  0.608     74.372  5.06  41.1      2     96.812/    96.812
   3      0.596  0.303  0.608     73.024  4.74  18.2      2     94.843/    94.843
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #17 of 22
   ---------------------------
   Ensemble helix_pdb Euler  41.80  24.60 152.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.624  0.056  0.035     96.950  5.20
   2      0.124  0.556  0.035     96.950  5.20
   3      0.403  0.144  0.593     94.399  4.77
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #17 of 22
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.175  0.114  0.369     83.631  4.71   0.0      2     94.022/    94.022
   2      0.624  0.056  0.035     76.184  5.20  29.6      2     96.950/    96.950
   3      0.124  0.142  0.034     75.925  4.75  18.6      2     94.267/    94.267
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #18 of 22
   ---------------------------
   Ensemble helix_pdb Euler 119.80  27.80 146.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.564  0.842  0.054     96.734  4.73
   2      0.064  0.342  0.054     96.734  4.73
   3      0.590  0.765  0.831     94.876  4.42
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #18 of 22
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.070  0.789  0.280     75.656  4.34   0.0      2     94.366/    94.366
   2      0.090  0.813  0.829     75.152  4.40  11.6      2     94.735/    94.735
   3      0.590  0.765  0.831     75.141  4.42  33.8      2     94.876/    94.876
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #19 of 22
   ---------------------------
   Ensemble helix_pdb Euler 138.41  28.85 146.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.530  0.777  0.725     98.305  5.09
   2      0.030  0.277  0.725     98.305  5.09
   3      0.529  0.776  0.723     97.377  4.94
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #19 of 22
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.029  0.276  0.723     88.817  4.94   0.0      4     97.377/    98.305
   2      0.095  0.753  0.167     76.566  4.65  20.3      2     95.690/    95.690

   SET #6 of 8 TRIAL #20 of 22
   ---------------------------
   Ensemble helix_pdb Euler  98.11  38.34 149.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.528  0.116  0.694     94.744  5.03
   2      0.028  0.616  0.694     94.744  5.03

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #20 of 22
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.028  0.616  0.694     80.074  5.03   0.0      2     94.744/    94.744

   SET #6 of 8 TRIAL #21 of 22
   ---------------------------
   Ensemble helix_pdb Euler  65.08  29.91 146.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.599  0.101  0.807     98.431  5.27
   2      0.099  0.601  0.807     98.431  5.27
   3      0.562  0.075  0.919     96.077  4.88
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #21 of 22
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.838  0.029  0.707     84.254  4.61   0.0      2     94.460/    94.460
   2      0.099  0.601  0.807     83.592  5.27  23.0      2     98.431/    98.431
   3      0.584  0.607  0.253     80.707  4.87  24.7      2     96.008/    96.008
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #22 of 22
   ---------------------------
   Ensemble helix_pdb Euler 136.29  40.23 158.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.290  0.011  0.261     93.647  4.87
   2      0.790  0.511  0.261     93.647  4.87
   3      0.688  0.549  0.641     93.234  4.80
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #22 of 22
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.290  0.011  0.261     80.552  4.87   0.0      2     93.647/    93.647
   2      0.688  0.549  0.641     79.004  4.80  12.1      2     93.234/    93.234


----------------------------
TRANSLATION FUNCTION #7 OF 8
----------------------------


   SOLU SET  RFZ=4.6 TFZ=3.2 PAK=0 LLG=57
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  122.2   28.7  181.6 FRAC -0.43  0.49 -0.50 BFAC -9.06
   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   87.1 RFZ  4.25

   SOLU TRIAL ENSEMBLE helix_pdb EULER   51.869   24.857  151.761 RF   85.9 RFZ  4.12

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   85.8 RFZ  4.11

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   85.3 RFZ  4.06

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.424   24.033  161.846 RF   84.9 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.535   25.925  148.923 RF   84.6 RFZ  3.97

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   84.1 RFZ  3.92

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   84.0 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   83.9 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   83.9 RFZ  3.90

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.201   26.601  163.128 RF   83.9 RFZ  3.90

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   83.6 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   83.6 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   83.6 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   83.2 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   82.6 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   82.4 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   82.4 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   82.4 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   82.3 RFZ  3.73

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   82.0 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   81.9 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   81.9 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   81.8 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   81.8 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   81.8 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   81.6 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   81.6 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   81.5 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   81.5 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   81.5 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   81.3 RFZ  3.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   81.2 RFZ  3.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   81.2 RFZ  3.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   81.2 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   81.1 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   81.1 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   81.1 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   80.9 RFZ  3.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   80.8 RFZ  3.57 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   80.7 RFZ  3.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   80.6 RFZ  3.55 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   80.4 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   80.4 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   80.3 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   80.3 RFZ  3.51 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   80.3 RFZ  3.51 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   80.2 RFZ  3.50 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   80.1 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   80.0 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   80.0 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   29.925   26.470  156.022 RF   79.8 RFZ  3.45 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   79.7 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   79.6 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   79.5 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   79.5 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   79.4 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   79.4 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   79.2 RFZ  3.40 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   79.2 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   79.1 RFZ  3.38 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   79.1 RFZ  3.38 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   79.1 RFZ  3.38 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   79.0 RFZ  3.37 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   79.0 RFZ  3.37 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.203   35.142  161.594 RF   79.0 RFZ  3.37 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   78.8 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.388   40.196  156.612 RF   78.5 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  108.160   30.031  138.942 RF   78.5 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.844   29.075  162.258 RF   78.4 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   78.3 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   78.3 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   78.2 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   78.2 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.105   29.162  138.969 RF   78.1 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.649   35.266  161.001 RF   78.1 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   12.483   21.810  155.358 RF   77.9 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.453   21.186  136.283 RF   77.9 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.561   28.504  159.572 RF   77.8 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   74.017   36.083  212.756 RF   77.8 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.047   28.565  158.082 RF   77.6 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.262   28.939  129.773 RF   77.5 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   77.5 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   77.5 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.619   48.334  196.267 RF   77.5 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.853   49.425  194.168 RF   77.3 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   77.3 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.166   59.074  160.520 RF   77.3 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   77.3 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.791   30.761  150.363 RF   77.2 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  139.502   30.142  154.811 RF   77.2 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.683   28.520  158.446 RF   77.2 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.306   29.978  154.977 RF   77.2 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   77.1 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   93.410   30.408  100.003 RF   77.1 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.398   57.665  177.443 RF   77.1 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   77.1 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   77.0 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.227   45.283  158.453 RF   76.8 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.560   45.317  156.800 RF   76.8 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  210.850   39.450  164.662 RF   76.8 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.278   40.307  158.593 RF   76.7 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   76.7 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.526   31.131  133.953 RF   76.6 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.078   44.065  153.168 RF   76.5 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.771   36.460  172.722 RF   76.5 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   76.4 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.302   50.743  192.838 RF   76.4 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.581   30.297  164.048 RF   76.4 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   76.4 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   88.596   14.547  113.772 RF   76.1 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   82.174   32.079  212.797 RF   76.1 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   76.0 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   38.861   16.401  156.062 RF   76.0 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.182   36.981  179.693 RF   76.0 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.724   13.530   93.504 RF   76.0 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.296   30.768  159.195 RF   75.9 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  353.579   30.665  168.047 RF   75.9 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  214.423   56.768  173.963 RF   75.8 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   25.214   19.891  151.386 RF   75.8 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.279   27.013  139.028 RF   75.8 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.732   40.369  165.315 RF   75.7 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.275   54.297  181.356 RF   75.7 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   75.7 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  147.239   28.399  136.646 RF   75.6 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.463   11.731  223.636 RF   75.6 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  270.077   26.844  178.929 RF   75.6 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  177.081   30.634  164.104 RF   75.6 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.791   32.132  146.853 RF   75.5 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.749   32.036  139.851 RF   75.5 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.110   30.878  154.447 RF   75.4 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  218.966   34.600  185.712 RF   75.4 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.974   29.645  155.250 RF   75.4 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.303   26.896  133.601 RF   75.4 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  120.330   37.137  144.780 RF   75.4 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  233.342   30.768  159.195 RF   75.4 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.257   30.048  168.017 RF   75.3 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.705   28.038  181.965 RF   75.3 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.387   20.578  161.440 RF   75.2 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.224   25.260  140.714 RF   75.2 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.820   38.127  146.797 RF   75.2 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  131.617   36.655  164.234 RF   75.2 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.392   19.880  167.093 RF   75.2 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.765   26.601  136.983 RF   75.1 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.760   41.761  152.978 RF   75.1 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.862   32.433  178.320 RF   75.1 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.828   31.579  154.758 RF   75.0 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.299   19.821  136.813 RF   75.0 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  186.873   43.841  170.156 RF   75.0 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.049   35.847  175.245 RF   74.9 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  306.520   14.352   74.543 RF   74.9 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  263.507   21.063  136.319 RF   74.9 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.350   24.444   96.617 RF   74.9 RFZ  2.93 # DEEP


   This TF set has 153 trial orientations


   #    Euler                  Rot-LLG      RF     RFZ  Ensemble
   1      61.8   25.2  150.8      85.3    87.1     4.2 helix_pdb
   2      51.9   24.9  151.8      84.3    85.9     4.1 helix_pdb
   3     260.3   25.9  169.4      85.7    85.8     4.1 helix_pdb
   4     154.7   35.4  158.0      84.0    85.3     4.1 helix_pdb
   5     330.4   24.0  161.8      84.5    84.9     4.0 helix_pdb
   6      81.5   25.9  148.9      84.3    84.6     4.0 helix_pdb
   7      65.1   29.9  146.5      81.5    84.1     3.9 helix_pdb
   8     144.5   34.2  148.9      83.2    84.0     3.9 helix_pdb
   9     311.9   26.5  162.4      83.2    83.9     3.9 helix_pdb
   10     95.2   25.2  143.9      83.8    83.9     3.9 helix_pdb
   11    302.2   26.6  163.1      82.8    83.9     3.9 helix_pdb
   12    254.3   27.7  166.2      83.0    83.6     3.9 helix_pdb
   13     68.5   27.2  153.3      82.1    83.6     3.9 helix_pdb
   14    105.0   25.8  143.1      83.6    83.6     3.9 helix_pdb
   15     41.8   24.6  152.9      82.2    83.2     3.8 helix_pdb
   16    266.4   24.0  172.4      82.7    82.6     3.8 helix_pdb
   17    130.9   39.3  153.8      82.8    82.4     3.7 helix_pdb
   18    119.8   27.8  146.6      82.3    82.4     3.7 helix_pdb
   19    138.4   28.8  146.0      82.0    82.4     3.7 helix_pdb
   20    125.0   29.0  150.7      81.2    82.3     3.7 helix_pdb
   21    238.5   34.6  163.9      80.3    82.0     3.7 helix_pdb
   22    243.8   38.1  168.7      81.3    81.9     3.7 helix_pdb
   23    114.5   38.8  151.6      81.5    81.9     3.7 helix_pdb
   24    290.4   33.1  166.7      80.8    81.8     3.7 helix_pdb
   25    114.5   26.4  142.5      82.4    81.8     3.7 helix_pdb
   26    240.9   26.8  170.8      81.0    81.8     3.7 helix_pdb
   27      1.1   24.0  157.9      80.6    81.6     3.7 helix_pdb
   28    332.6   27.0  170.3      81.3    81.6     3.7 helix_pdb
   29     98.1   38.3  149.4      82.0    81.5     3.6 helix_pdb
   30    281.6   33.4  166.5      80.8    81.5     3.6 helix_pdb
   31     89.7   37.8  148.5      81.0    81.5     3.6 helix_pdb
   ----- angles below here for deep search only -----
   32    231.2   27.3  171.5      80.3    81.3     3.6 helix_pdb
   33    286.9   23.0  169.8      80.1    81.2     3.6 helix_pdb
   34     66.9   34.6  143.2      80.9    81.2     3.6 helix_pdb
   35    179.4   35.7  151.0      80.2    81.2     3.6 helix_pdb
   36     86.2   34.2  153.4      80.4    81.1     3.6 helix_pdb
   37    276.5   23.5  171.3      80.3    81.1     3.6 helix_pdb
   38    136.3   40.2  158.3      81.6    81.1     3.6 helix_pdb
   39    350.9   26.2  159.2      80.4    80.9     3.6 helix_pdb
   40    170.1   30.7  141.5      80.8    80.8     3.6 helix_pdb
   41    226.1   28.7  167.3      79.5    80.7     3.6 helix_pdb
   42    168.8   39.9  163.1      79.6    80.6     3.5 helix_pdb
   43    161.0   30.0  141.4      80.5    80.4     3.5 helix_pdb
   44     72.9   36.8  146.8      79.9    80.4     3.5 helix_pdb
   45    133.6   27.8  141.5      80.8    80.3     3.5 helix_pdb
   46     56.3   20.6  156.8      79.8    80.3     3.5 helix_pdb
   47    351.9   21.7  148.5      80.5    80.3     3.5 helix_pdb
   48    155.4   40.0  157.0      78.6    80.2     3.5 helix_pdb
   49    219.0   39.2  165.8      78.8    80.1     3.5 helix_pdb
   50    232.6   37.5  171.1      78.6    80.0     3.5 helix_pdb
   51    248.3   29.3  162.7      79.4    80.0     3.5 helix_pdb
   52     29.9   26.5  156.0      78.1    79.8     3.5 helix_pdb
   53    163.6   40.0  158.2      78.4    79.7     3.4 helix_pdb
   54     94.9   34.5  153.8      79.0    79.6     3.4 helix_pdb
   55     10.7   27.0  148.4      78.3    79.5     3.4 helix_pdb
   56    316.8   32.1  167.6      78.9    79.5     3.4 helix_pdb
   57    335.6   60.2  153.7      79.4    79.4     3.4 helix_pdb
   58    221.3   35.0  162.8      77.6    79.4     3.4 helix_pdb
   59    188.5   36.1  151.9      77.6    79.2     3.4 helix_pdb
   60    168.9   35.3  142.5      79.1    79.2     3.4 helix_pdb
   61    152.6   30.0  150.4      77.9    79.1     3.4 helix_pdb
   62    322.8   28.6  160.3      78.6    79.1     3.4 helix_pdb
   63    331.0   25.5  151.2      78.3    79.1     3.4 helix_pdb
   64     27.1   27.8  147.5      76.5    79.0     3.4 helix_pdb
   65    260.3   37.3  170.7      78.5    79.0     3.4 helix_pdb
   66    204.2   35.1  161.6      77.2    79.0     3.4 helix_pdb
   67    246.3   25.1  174.6      78.7    78.8     3.3 helix_pdb
   68    183.4   40.2  156.6      77.3    78.5     3.3 helix_pdb
   69    108.2   30.0  138.9      76.4    78.5     3.3 helix_pdb
   70    266.8   29.1  162.3      77.4    78.4     3.3 helix_pdb
   71    217.5   27.2  176.3      78.0    78.3     3.3 helix_pdb
   72     60.8   26.6  129.6      77.9    78.3     3.3 helix_pdb
   73     42.6   32.8  151.2      77.7    78.2     3.3 helix_pdb
   74     30.4   24.9  165.3      76.7    78.2     3.3 helix_pdb
   75     99.1   29.2  139.0      76.0    78.1     3.3 helix_pdb
   76    195.6   35.3  161.0      76.1    78.1     3.3 helix_pdb
   77     12.5   21.8  155.4      76.0    77.9     3.3 helix_pdb
   78     84.5   21.2  136.3      75.5    77.9     3.2 helix_pdb
   79    341.6   28.5  159.6      77.0    77.8     3.2 helix_pdb
   80     74.0   36.1  212.8      78.8    77.8     3.2 helix_pdb
   81     19.0   28.6  158.1      76.7    77.6     3.2 helix_pdb
   82     79.3   28.9  129.8      76.8    77.5     3.2 helix_pdb
   83     35.0   58.5  174.9      77.3    77.5     3.2 helix_pdb
   84    296.4   20.6  159.3      77.7    77.5     3.2 helix_pdb
   85    242.6   48.3  196.3      76.8    77.5     3.2 helix_pdb
   86     55.9   49.4  194.2      78.4    77.3     3.2 helix_pdb
   87    352.1   21.6  169.2      76.6    77.3     3.2 helix_pdb
   88    204.2   59.1  160.5      76.1    77.3     3.2 helix_pdb
   89    174.8   35.2  168.2      76.7    77.3     3.2 helix_pdb
   90    170.8   30.8  150.4      76.4    77.2     3.2 helix_pdb
   91    139.5   30.1  154.8      76.1    77.2     3.2 helix_pdb
   92      9.7   28.5  158.4      76.9    77.2     3.2 helix_pdb
   93    130.3   30.0  155.0      75.6    77.2     3.2 helix_pdb
   94     10.9   21.0  165.8      76.7    77.1     3.2 helix_pdb
   95     93.4   30.4  100.0      76.1    77.1     3.2 helix_pdb
   96     42.4   57.7  177.4      77.2    77.1     3.2 helix_pdb
   97    285.3   35.8  173.3      77.2    77.1     3.2 helix_pdb
   98    302.5   34.5  174.6      77.1    77.0     3.2 helix_pdb
   99    206.2   45.3  158.5      75.6    76.8     3.1 helix_pdb
   100   197.6   45.3  156.8      76.0    76.8     3.1 helix_pdb
   101   210.9   39.5  164.7      75.3    76.8     3.1 helix_pdb
   102   197.3   40.3  158.6      74.9    76.7     3.1 helix_pdb
   103   248.5   40.7  162.8      77.8    76.7     3.1 helix_pdb
   104    84.5   31.1  134.0      75.3    76.6     3.1 helix_pdb
   105   140.1   44.1  153.2      75.1    76.5     3.1 helix_pdb
   106   276.8   36.5  172.7      76.5    76.5     3.1 helix_pdb
   107   207.9   27.9  176.7      76.2    76.4     3.1 helix_pdb
   108   194.3   50.7  192.8      75.3    76.4     3.1 helix_pdb
   109   192.6   30.3  164.0      76.0    76.4     3.1 helix_pdb
   110   165.5   35.6  167.6      76.3    76.4     3.1 helix_pdb
   111    88.6   14.5  113.8      75.6    76.1     3.1 helix_pdb
   112    82.2   32.1  212.8      77.3    76.1     3.1 helix_pdb
   113   224.3   30.8  179.4      75.9    76.0     3.1 helix_pdb
   114    38.9   16.4  156.1      75.3    76.0     3.0 helix_pdb
   115   206.2   37.0  179.7      75.6    76.0     3.0 helix_pdb
   116   287.7   13.5   93.5      75.4    76.0     3.0 helix_pdb
   117   224.3   30.8  159.2      75.9    75.9     3.0 helix_pdb
   118   353.6   30.7  168.0      75.1    75.9     3.0 helix_pdb
   119   214.4   56.8  174.0      76.2    75.8     3.0 helix_pdb
   120    25.2   19.9  151.4      73.5    75.8     3.0 helix_pdb
   121    31.3   27.0  139.0      76.1    75.8     3.0 helix_pdb
   122   264.7   40.4  165.3      75.4    75.7     3.0 helix_pdb
   123   227.3   54.3  181.4      74.1    75.7     3.0 helix_pdb
   124   207.4   29.4  167.8      75.2    75.7     3.0 helix_pdb
   125   147.2   28.4  136.6      76.3    75.6     3.0 helix_pdb
   126    72.5   11.7  223.6      75.7    75.6     3.0 helix_pdb
   127   270.1   26.8  178.9      72.5    75.6     3.0 helix_pdb
   128   177.1   30.6  164.1      74.9    75.6     3.0 helix_pdb
   129   194.8   32.1  146.9      75.9    75.5     3.0 helix_pdb
   130   239.7   32.0  139.9      75.3    75.5     3.0 helix_pdb
   131   176.1   30.9  154.4      75.7    75.4     3.0 helix_pdb
   132   219.0   34.6  185.7      74.8    75.4     3.0 helix_pdb
   133   112.0   29.6  155.3      75.2    75.4     3.0 helix_pdb
   134    47.3   26.9  133.6      75.5    75.4     3.0 helix_pdb
   135   120.3   37.1  144.8      73.4    75.4     3.0 helix_pdb
   136   233.3   30.8  159.2      75.5    75.4     3.0 helix_pdb
   137     9.3   30.0  168.0      75.0    75.3     3.0 helix_pdb
   138   304.7   28.0  182.0      75.1    75.3     3.0 helix_pdb
   139   285.4   20.6  161.4      75.2    75.2     3.0 helix_pdb
   140    52.2   25.3  140.7      73.8    75.2     3.0 helix_pdb
   141   136.8   38.1  146.8      73.2    75.2     3.0 helix_pdb
   142   131.6   36.7  164.2      75.7    75.2     3.0 helix_pdb
   143   316.4   19.9  167.1      73.8    75.2     3.0 helix_pdb
   144   128.8   26.6  137.0      75.8    75.1     3.0 helix_pdb
   145   209.8   41.8  153.0      75.1    75.1     2.9 helix_pdb
   146   206.9   32.4  178.3      74.8    75.1     2.9 helix_pdb
   147   209.8   31.6  154.8      75.6    75.0     2.9 helix_pdb
   148    37.3   19.8  136.8      73.9    75.0     2.9 helix_pdb
   149   186.9   43.8  170.2      73.8    75.0     2.9 helix_pdb
   150   238.0   35.8  175.2      72.8    74.9     2.9 helix_pdb
   151   306.5   14.4   74.5      75.8    74.9     2.9 helix_pdb
   152   263.5   21.1  136.3      74.0    74.9     2.9 helix_pdb
   153   300.4   24.4   96.6      75.6    74.9     2.9 helix_pdb

      31 trial orientations in initial search
      122 trial orientations in deep search


   Scoring 612 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #7 of 8
   0%      100%
   |========| DONE

   Mean Score (Sigma):       34.02   (11.03)

   SET #7 of 8 TRIAL #1 of 31
   --------------------------
   Ensemble helix_pdb Euler  61.81  25.19 150.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 78 sites over 67.5% of top
   78 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.362  0.733  0.039     103.74  5.29
   2      0.862  0.233  0.039     103.74  5.29
   3      0.372  0.138  0.043     103.58  5.26
   #Sites = 78: output truncated to 3 sites

   Top 78 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #1 of 31
   0%   100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 27 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.372  0.138  0.043     85.259  5.26   0.0      6     103.58/    103.58
   2      0.096  0.576  0.704     84.928  4.32  22.7      2      97.78/     97.78
   3      0.088  0.855  0.981     84.196  4.78  24.7      2     100.61/    100.61
   #SITES = 27: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #2 of 31
   --------------------------
   Ensemble helix_pdb Euler  51.87  24.86 151.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 38 sites over 67.5% of top
   38 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.397  0.123  0.595     101.21  5.22
   2      0.897  0.623  0.595     101.21  5.22
   3      0.486  0.603  0.025      99.26  4.90
   #Sites = 38: output truncated to 3 sites

   Top 38 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #2 of 31
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 14 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.486  0.603  0.025     85.365  4.90   0.0      2     99.264/    99.264
   2      0.913  0.940  0.761     82.541  4.13  37.7      2     94.585/    94.585
   3      0.860  0.953  0.671     82.461  4.36  33.4      2     95.972/    95.972
   #SITES = 14: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #3 of 31
   --------------------------
   Ensemble helix_pdb Euler 260.25  25.95 169.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 52 sites over 67.5% of top
   52 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.757  0.174  0.431     101.25  5.09
   2      0.257  0.674  0.431     101.25  5.09
   3      0.580  0.117  0.433     100.27  4.93
   #Sites = 52: output truncated to 3 sites

   Top 52 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #3 of 31
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 16 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.667  0.604  0.988     86.096  4.05   0.0      2     94.905/    94.905
   2      0.580  0.117  0.433     84.709  4.93  24.1      4    100.266/   100.266
   3      0.189  0.117  0.109     84.297  4.48  21.4      4     97.544/    97.544
   #SITES = 16: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #4 of 31
   --------------------------
   Ensemble helix_pdb Euler 154.74  35.36 158.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 56 sites over 67.5% of top
   56 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.724  0.559  0.933     102.93  5.28
   2      0.224  0.059  0.933     102.93  5.28
   3      0.730  0.561  0.937      99.22  4.68
   #Sites = 56: output truncated to 3 sites

   Top 56 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #4 of 31
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 17 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.174  0.615  0.593     85.614  3.99   0.0      2     94.905/    94.905
   2      0.641  0.085  0.601     82.571  4.27  29.1      2     96.656/    96.656
   3      0.068  0.543  0.836     82.259  4.02  21.4      2     95.068/    95.068
   #SITES = 17: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #5 of 31
   --------------------------
   Ensemble helix_pdb Euler 330.42  24.03 161.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.362  0.766  0.016     96.341  4.64
   2      0.862  0.266  0.016     96.341  4.64
   3      0.629  0.773  0.345     95.965  4.58
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #5 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.629  0.773  0.345     82.330  4.58   0.0      2     95.965/    95.965
   2      0.824  0.686  0.092     75.270  4.52  31.0      2     95.604/    95.604
   3      0.411  0.815  0.479     74.316  4.44  13.9      2     95.126/    95.126
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #6 of 31
   --------------------------
   Ensemble helix_pdb Euler  81.53  25.92 148.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 28 sites over 67.5% of top
   28 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.355  0.201  0.045     103.86  5.67
   2      0.855  0.701  0.045     103.86  5.67
   3      0.364  0.194  0.053      98.06  4.74
   #Sites = 28: output truncated to 3 sites

   Top 28 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #6 of 31
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.413  0.728  0.916     90.844  4.19   0.0      2     94.660/    94.660
   2      0.437  0.731  0.378     82.910  4.23  27.9      2     94.928/    94.928
   3      0.610  0.656  0.376     82.756  4.42  17.4      2     96.072/    96.072
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #7 of 31
   --------------------------
   Ensemble helix_pdb Euler  65.08  29.91 146.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 22 sites over 67.5% of top
   22 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.813  0.547  0.919     99.816  5.21
   2      0.313  0.047  0.919     99.816  5.21
   3      0.825  0.541  0.923     98.563  5.00
   #Sites = 22: output truncated to 3 sites

   Top 22 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #7 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.825  0.541  0.923     81.704  5.00   0.0      6     98.563/    99.816
   2      0.544  0.497  0.139     81.102  4.80  31.7      2     97.329/    97.329
   3      0.240  0.573  0.048     81.040  4.32   7.3      2     94.379/    94.379
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #8 of 31
   --------------------------
   Ensemble helix_pdb Euler 144.54  34.20 148.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 42 sites over 67.5% of top
   42 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.307  0.457  0.559     99.938  5.06
   2      0.807  0.957  0.559     99.938  5.06
   3      0.547  0.632  0.272     99.300  4.95
   #Sites = 42: output truncated to 3 sites

   Top 42 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #8 of 31
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.542  0.633  0.265     85.050  4.44   0.0      4     96.030/    99.300
   2      0.807  0.957  0.559     83.218  5.06  20.4      2     99.938/    99.938
   3      0.806  0.254  0.059     79.676  4.72  26.1      2     97.797/    97.797
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #9 of 31
   --------------------------
   Ensemble helix_pdb Euler 311.90  26.45 162.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 38 sites over 67.5% of top
   38 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.640  0.667  0.885     101.23  5.19
   2      0.140  0.167  0.885     101.23  5.19
   3      0.444  0.232  0.994      97.78  4.64
   #Sites = 38: output truncated to 3 sites

   Top 38 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #9 of 31
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 12 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.260  0.227  0.116     80.937  4.13   0.0      4     94.627/    95.856
   2      0.140  0.167  0.885     80.874  5.19  11.4      4    101.234/   101.234
   3      0.943  0.632  0.490     77.855  4.16  31.5      4     94.793/    94.796
   #SITES = 12: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #10 of 31
   ---------------------------
   Ensemble helix_pdb Euler  95.22  25.15 143.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.619  0.459  0.107     99.905  5.33
   2      0.119  0.959  0.107     99.905  5.33
   3      0.422  0.258  0.723     97.874  5.00
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #10 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.008  0.217  0.152     82.788  4.73   0.0      2     96.279/    96.279
   2      0.119  0.959  0.107     82.379  5.33  13.8      2     99.905/    99.905
   3      0.922  0.758  0.723     77.112  5.00  12.6      2     97.874/    97.874
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #11 of 31
   ---------------------------
   Ensemble helix_pdb Euler 302.20  26.60 163.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 32 sites over 67.5% of top
   32 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.632  0.643  0.883     98.612  4.85
   2      0.132  0.143  0.883     98.612  4.85
   3      0.637  0.648  0.890     96.880  4.58
   #Sites = 32: output truncated to 3 sites

   Top 32 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #11 of 31
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 12 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.107  0.159  0.778     82.040  4.24   0.0      2     94.785/    94.785
   2      0.132  0.143  0.883     81.494  4.85   5.5      4     98.612/    98.612
   3      0.749  0.704  0.106     81.125  4.32  14.9      4     95.248/    95.248
   #SITES = 12: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #12 of 31
   ---------------------------
   Ensemble helix_pdb Euler 254.25  27.73 166.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 42 sites over 67.5% of top
   42 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.305  0.274  0.095     100.51  5.04
   2      0.805  0.774  0.095     100.51  5.04
   3      0.314  0.682  0.100     100.04  4.96
   #Sites = 42: output truncated to 3 sites

   Top 42 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #12 of 31
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 12 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.589  0.645  0.876     88.456  4.46   0.0      4     96.955/    98.583
   2      0.147  0.141  0.984     88.020  4.27  45.0      2     95.736/    95.736
   3      0.918  0.599  0.587     84.533  4.42  34.5      2     96.713/    96.713
   #SITES = 12: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #13 of 31
   ---------------------------
   Ensemble helix_pdb Euler  68.53  27.20 153.28 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      9448 peaks
      2 peaks over 106.344 checked for packing
      No translation peaks pack
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 48 sites over 67.5% of top
   48 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.363  0.146  0.046     104.98  5.74
   2      0.863  0.646  0.046     104.98  5.74
   3      0.354  0.153  0.037     102.70  5.38
   #Sites = 48: output truncated to 3 sites

   Top 48 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #13 of 31
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 14 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.363  0.146  0.046     87.375  5.74   0.0      4     104.98/    104.98
   2      0.575  0.100  0.700     86.871  4.76  13.2      2      98.85/     98.85
   3      0.329  0.967  0.862     82.473  4.27  10.8      2      95.79/     95.79
   #SITES = 14: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #14 of 31
   ---------------------------
   Ensemble helix_pdb Euler 105.00  25.77 143.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 24 sites over 67.5% of top
   24 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.608  0.474  0.107     103.08  5.94
   2      0.108  0.974  0.107     103.08  5.94
   3      0.607  0.160  0.608      97.65  5.03
   #Sites = 24: output truncated to 3 sites

   Top 24 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #14 of 31
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.108  0.974  0.107     86.524  5.94   0.0      6     103.08/    103.08
   2      0.471  0.767  0.502     85.439  4.72  26.3      4      95.80/     96.26
   3      0.959  0.520  0.682     79.395  4.38  21.0      2      93.75/     93.75
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #15 of 31
   ---------------------------
   Ensemble helix_pdb Euler  41.80  24.60 152.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.401  0.072  0.590     98.944  5.39
   2      0.901  0.572  0.590     98.944  5.39
   3      0.365  0.409  0.669     96.174  4.93
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #15 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.419  0.394  0.761     86.396  4.73   0.0      2     94.964/    94.964
   2      0.365  0.409  0.669     83.554  4.93   4.6      2     96.174/    96.174
   3      0.491  0.567  0.024     81.273  4.65  11.2      2     94.487/    94.487
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #16 of 31
   ---------------------------
   Ensemble helix_pdb Euler 266.43  24.03 172.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.795  0.146  0.994     96.522  5.17
   2      0.295  0.646  0.994     96.522  5.17
   3      0.795  0.729  0.994     96.316  5.14
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #16 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.719  0.655  0.658     82.796  4.72   0.0      2     93.849/    93.849
   2      0.795  0.729  0.994     82.239  5.14  17.7      2     96.316/    96.316
   3      0.795  0.146  0.994     80.858  5.17  21.2      2     96.522/    96.522
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #17 of 31
   ---------------------------
   Ensemble helix_pdb Euler 130.85  39.28 153.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.634  0.075  0.480     93.974  4.89
   2      0.134  0.575  0.480     93.974  4.89

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #17 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.634  0.075  0.480     87.334  4.89   0.0      2     93.974/    93.974

   SET #7 of 8 TRIAL #18 of 31
   ---------------------------
   Ensemble helix_pdb Euler 119.80  27.80 146.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 24 sites over 67.5% of top
   24 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.366  0.253  0.169     100.85  5.37
   2      0.866  0.753  0.169     100.85  5.37
   3      0.613  0.678  0.497      97.31  4.79
   #Sites = 24: output truncated to 3 sites

   Top 24 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #18 of 31
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.613  0.678  0.497     81.993  4.79   0.0      4     97.313/    97.313
   2      0.866  0.753  0.169     79.637  5.37  32.9      2    100.852/   100.852
   3      0.272  0.880  0.943     79.225  4.67  28.7      4     96.588/    96.588
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #19 of 31
   ---------------------------
   Ensemble helix_pdb Euler 138.41  28.85 146.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.298  0.829  0.061     99.057  5.13
   2      0.798  0.329  0.061     99.057  5.13
   3      0.344  0.251  0.172     96.926  4.78
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #19 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.805  0.331  0.069     80.907  4.43   0.0      4     94.832/    99.057
   2      0.784  0.852  0.061     75.919  4.48  11.5      2     95.125/    95.125
   3      0.430  0.230  0.608     75.710  4.38  27.4      2     94.526/    94.526
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #20 of 31
   ---------------------------
   Ensemble helix_pdb Euler 125.04  28.98 150.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 54 sites over 67.5% of top
   54 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.754  0.725  0.938     101.80  5.25
   2      0.254  0.225  0.938     101.80  5.25
   3      0.754  0.337  0.939     100.74  5.08
   #Sites = 54: output truncated to 3 sites

   Top 54 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #20 of 31
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 17 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.254  0.837  0.939     79.964  5.08   0.0      4     100.74/    100.74
   2      0.754  0.725  0.938     79.451  5.25  46.2      4     101.80/    101.80
   3      0.807  0.024  0.559     78.317  4.66  28.6      4      98.10/     98.10
   #SITES = 17: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #21 of 31
   ---------------------------
   Ensemble helix_pdb Euler 238.45  34.59 163.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.404  0.285  0.067     99.772  5.39
   2      0.904  0.785  0.067     99.772  5.39
   3      0.454  0.316  0.628     98.268  5.15
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #21 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.904  0.785  0.067     86.263  5.39   0.0      2     99.772/    99.772
   2      0.454  0.316  0.628     82.352  5.15  33.6      2     98.268/    98.268
   3      0.772  0.893  0.208     78.823  4.56  19.4      2     94.620/    94.620
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #22 of 31
   ---------------------------
   Ensemble helix_pdb Euler 243.79  38.08 168.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.716  0.485  0.855     92.914  4.88
   2      0.216  0.985  0.855     92.914  4.88

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #22 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.216  0.985  0.855     83.293  4.88   0.0      2     92.914/    92.914

   SET #7 of 8 TRIAL #23 of 31
   ---------------------------
   Ensemble helix_pdb Euler 114.47  38.85 151.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #24 of 31
   ---------------------------
   Ensemble helix_pdb Euler 290.39  33.10 166.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.752  0.309  0.870     99.041  5.26
   2      0.252  0.809  0.870     99.041  5.26
   3      0.745  0.309  0.863     97.522  5.01
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #24 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.008  0.766  0.201     82.173  4.71   0.0      2     95.638/    95.638
   2      0.843  0.829  0.305     77.831  4.40  20.2      2     93.762/    93.762
   3      0.961  0.804  0.537     76.492  4.83  15.0      2     96.420/    96.420
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #25 of 31
   ---------------------------
   Ensemble helix_pdb Euler 114.54  26.45 142.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.595  0.480  0.107     99.042  5.46
   2      0.095  0.980  0.107     99.042  5.46
   3      0.634  0.700  0.500     96.661  5.07
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #25 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.954  0.287  0.497     87.176  4.83   0.0      4     95.257/    95.341
   2      0.634  0.700  0.500     83.577  5.07  31.3      2     96.661/    96.661
   3      0.595  0.480  0.107     81.351  5.46  25.9      2     99.042/    99.042

   SET #7 of 8 TRIAL #26 of 31
   ---------------------------
   Ensemble helix_pdb Euler 240.92  26.84 170.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.753  0.171  0.981     94.664  4.68
   2      0.253  0.671  0.981     94.664  4.68
   3      0.748  0.167  0.976     93.721  4.52
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #26 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.412  0.087  0.586     82.889  4.51   0.0      2     93.630/    93.630
   2      0.248  0.667  0.976     78.929  4.52  32.7      4     93.721/    94.664

   SET #7 of 8 TRIAL #27 of 31
   ---------------------------
   Ensemble helix_pdb Euler   1.14  23.98 157.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.604  0.324  0.245     94.959  4.97
   2      0.104  0.824  0.245     94.959  4.97
   3      0.385  0.340  0.218     93.857  4.79
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #27 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.604  0.324  0.245     79.592  4.97   0.0      2     94.959/    94.959
   2      0.385  0.340  0.218     76.636  4.79  19.1      2     93.857/    93.857

   SET #7 of 8 TRIAL #28 of 31
   ---------------------------
   Ensemble helix_pdb Euler 332.57  27.01 170.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.360  0.895  0.008     95.154  5.04
   2      0.860  0.395  0.008     95.154  5.04
   3      0.359  0.497  0.008     94.064  4.86
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #28 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.859  0.997  0.008     74.258  4.86   0.0      2     94.064/    94.064
   2      0.860  0.395  0.008     74.096  5.04   9.5      2     95.154/    95.154

   SET #7 of 8 TRIAL #29 of 31
   ---------------------------
   Ensemble helix_pdb Euler  98.11  38.34 149.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.742  0.513  0.804     93.458  4.81
   2      0.242  0.013  0.804     93.458  4.81
   3      0.684  0.973  0.025     93.120  4.75
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #29 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.684  0.973  0.025     79.254  4.75   0.0      2     93.120/    93.120
   2      0.242  0.013  0.804     76.153  4.81   8.3      2     93.458/    93.458

   SET #7 of 8 TRIAL #30 of 31
   ---------------------------
   Ensemble helix_pdb Euler 281.57  33.45 166.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.746  0.295  0.869     96.605  4.94
   2      0.246  0.795  0.869     96.605  4.94
   3      0.739  0.299  0.861     96.160  4.86
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #30 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.430  0.248  0.981     83.221  4.69   0.0      2     95.102/    95.102
   2      0.246  0.795  0.869     72.794  4.94  17.3      2     96.605/    96.605
   3      0.737  0.884  0.861     72.608  4.41  34.9      2     93.413/    93.413

   SET #7 of 8 TRIAL #31 of 31
   ---------------------------
   Ensemble helix_pdb Euler  89.72  37.80 148.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.516  0.428  0.133     93.856  4.78
   2      0.016  0.928  0.133     93.856  4.78

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #31 of 31
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.016  0.928  0.133     82.002  4.78   0.0      2     93.856/    93.856


----------------------------
TRANSLATION FUNCTION #8 OF 8
----------------------------


   SOLU SET  RFZ=4.4 TFZ=4.4 PAK=0 LLG=55
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  308.4   38.5  146.3 FRAC -0.23  0.02 -0.19 BFAC -6.83
   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   83.6 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   83.3 RFZ  3.98

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.535   25.925  148.923 RF   82.3 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER   51.869   24.857  151.761 RF   81.4 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   81.4 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.424   24.033  161.846 RF   81.4 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   81.3 RFZ  3.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   81.2 RFZ  3.76 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   81.1 RFZ  3.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   81.0 RFZ  3.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   80.7 RFZ  3.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   80.5 RFZ  3.69 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   80.4 RFZ  3.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   80.3 RFZ  3.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   80.3 RFZ  3.66 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.201   26.601  163.128 RF   80.2 RFZ  3.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   80.2 RFZ  3.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   80.1 RFZ  3.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   80.0 RFZ  3.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   80.0 RFZ  3.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   79.8 RFZ  3.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   79.7 RFZ  3.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   79.7 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   79.7 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   79.6 RFZ  3.59 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   79.6 RFZ  3.59 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   79.5 RFZ  3.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   79.2 RFZ  3.55 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   79.2 RFZ  3.55 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   79.1 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   79.0 RFZ  3.53 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   79.0 RFZ  3.53 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   78.7 RFZ  3.50 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   78.7 RFZ  3.50 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   78.7 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   78.7 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   78.7 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   78.6 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   78.5 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   78.5 RFZ  3.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   78.4 RFZ  3.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   78.0 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   78.0 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   77.9 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   77.7 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   77.7 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   77.7 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   77.5 RFZ  3.37 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   77.4 RFZ  3.36 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   77.3 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   77.3 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   77.2 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   77.1 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   77.0 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   77.0 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   76.9 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   76.6 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   76.5 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   76.5 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   76.5 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   76.5 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   76.4 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   76.3 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   76.3 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   76.1 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   76.1 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   76.0 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   75.8 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   75.7 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   75.7 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   75.6 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   75.6 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   75.5 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   75.4 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  132.641   24.827  184.107 RF   75.4 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   75.3 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   75.3 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.087   47.928  196.726 RF   75.2 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   74.017   36.083  212.756 RF   75.2 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   75.1 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   75.1 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   21.857   46.476  196.197 RF   75.1 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   75.1 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   75.0 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   75.0 RFZ  3.10 # DEEP


   This TF set has 85 trial orientations


   #    Euler                  Rot-LLG      RF     RFZ  Ensemble
   1     260.3   25.9  169.4      86.2    83.6     4.0 helix_pdb
   2      61.8   25.2  150.8      87.3    83.3     4.0 helix_pdb
   3      81.5   25.9  148.9      84.6    82.3     3.9 helix_pdb
   4      51.9   24.9  151.8      86.0    81.4     3.8 helix_pdb
   5     105.0   25.8  143.1      83.8    81.4     3.8 helix_pdb
   6     330.4   24.0  161.8      85.0    81.4     3.8 helix_pdb
   ----- angles below here for deep search only -----
   7     154.7   35.4  158.0      85.4    81.3     3.8 helix_pdb
   8      95.2   25.2  143.9      84.0    81.2     3.8 helix_pdb
   9     144.5   34.2  148.9      84.0    81.1     3.8 helix_pdb
   10    254.3   27.7  166.2      83.6    81.0     3.7 helix_pdb
   11    311.9   26.5  162.4      84.0    80.7     3.7 helix_pdb
   12     68.5   27.2  153.3      83.5    80.5     3.7 helix_pdb
   13     65.1   29.9  146.5      84.1    80.4     3.7 helix_pdb
   14    119.8   27.8  146.6      82.6    80.3     3.7 helix_pdb
   15    114.5   26.4  142.5      81.9    80.3     3.7 helix_pdb
   16    302.2   26.6  163.1      84.0    80.2     3.7 helix_pdb
   17    138.4   28.8  146.0      82.6    80.2     3.6 helix_pdb
   18     66.9   34.6  143.2      81.2    80.1     3.6 helix_pdb
   19    240.9   26.8  170.8      81.9    80.0     3.6 helix_pdb
   20    281.6   33.4  166.5      81.5    80.0     3.6 helix_pdb
   21    130.9   39.3  153.8      82.6    79.8     3.6 helix_pdb
   22    136.3   40.2  158.3      81.2    79.7     3.6 helix_pdb
   23    290.4   33.1  166.7      81.8    79.7     3.6 helix_pdb
   24    231.2   27.3  171.5      81.3    79.7     3.6 helix_pdb
   25    170.1   30.7  141.5      81.1    79.6     3.6 helix_pdb
   26    332.6   27.0  170.3      81.7    79.6     3.6 helix_pdb
   27    266.4   24.0  172.4      82.8    79.5     3.6 helix_pdb
   28    125.0   29.0  150.7      82.4    79.2     3.6 helix_pdb
   29    238.5   34.6  163.9      81.8    79.2     3.5 helix_pdb
   30    161.0   30.0  141.4      80.6    79.1     3.5 helix_pdb
   31     86.2   34.2  153.4      81.1    79.0     3.5 helix_pdb
   32     72.9   36.8  146.8      80.5    79.0     3.5 helix_pdb
   33     56.3   20.6  156.8      80.4    78.7     3.5 helix_pdb
   34    114.5   38.8  151.6      82.0    78.7     3.5 helix_pdb
   35     89.7   37.8  148.5      81.7    78.7     3.5 helix_pdb
   36    226.1   28.7  167.3      80.6    78.7     3.5 helix_pdb
   37    179.4   35.7  151.0      81.2    78.7     3.5 helix_pdb
   38     41.8   24.6  152.9      83.2    78.6     3.5 helix_pdb
   39     98.1   38.3  149.4      81.7    78.5     3.5 helix_pdb
   40    133.6   27.8  141.5      80.5    78.5     3.5 helix_pdb
   41    243.8   38.1  168.7      82.0    78.4     3.5 helix_pdb
   42    351.9   21.7  148.5      80.4    78.0     3.4 helix_pdb
   43    316.8   32.1  167.6      79.3    78.0     3.4 helix_pdb
   44    331.0   25.5  151.2      79.1    77.9     3.4 helix_pdb
   45    335.6   60.2  153.7      80.0    77.7     3.4 helix_pdb
   46     10.7   27.0  148.4      79.5    77.7     3.4 helix_pdb
   47     94.9   34.5  153.8      79.5    77.7     3.4 helix_pdb
   48    217.5   27.2  176.3      78.4    77.5     3.4 helix_pdb
   49    168.9   35.3  142.5      79.2    77.4     3.4 helix_pdb
   50      1.1   24.0  157.9      81.5    77.3     3.3 helix_pdb
   51    152.6   30.0  150.4      78.9    77.3     3.3 helix_pdb
   52    219.0   39.2  165.8      80.0    77.2     3.3 helix_pdb
   53    276.5   23.5  171.3      81.3    77.1     3.3 helix_pdb
   54    246.3   25.1  174.6      78.8    77.0     3.3 helix_pdb
   55    286.9   23.0  169.8      81.3    77.0     3.3 helix_pdb
   56    168.8   39.9  163.1      80.7    76.9     3.3 helix_pdb
   57    302.5   34.5  174.6      77.1    76.6     3.3 helix_pdb
   58    174.8   35.2  168.2      77.2    76.5     3.3 helix_pdb
   59    188.5   36.1  151.9      79.2    76.5     3.3 helix_pdb
   60    155.4   40.0  157.0      80.1    76.5     3.3 helix_pdb
   61    350.9   26.2  159.2      80.7    76.5     3.3 helix_pdb
   62    165.5   35.6  167.6      76.2    76.4     3.3 helix_pdb
   63    322.8   28.6  160.3      78.9    76.3     3.2 helix_pdb
   64    260.3   37.3  170.7      78.9    76.3     3.2 helix_pdb
   65     30.4   24.9  165.3      78.0    76.1     3.2 helix_pdb
   66     27.1   27.8  147.5      78.9    76.1     3.2 helix_pdb
   67     60.8   26.6  129.6      78.4    76.0     3.2 helix_pdb
   68    232.6   37.5  171.1      80.0    75.8     3.2 helix_pdb
   69    296.4   20.6  159.3      77.5    75.7     3.2 helix_pdb
   70    207.9   27.9  176.7      76.4    75.7     3.2 helix_pdb
   71    224.3   30.8  179.4      75.8    75.6     3.2 helix_pdb
   72    163.6   40.0  158.2      79.6    75.6     3.2 helix_pdb
   73    248.3   29.3  162.7      79.7    75.5     3.2 helix_pdb
   74    248.5   40.7  162.8      76.6    75.4     3.1 helix_pdb
   75    132.6   24.8  184.1      72.8    75.4     3.1 helix_pdb
   76    352.1   21.6  169.2      77.2    75.3     3.1 helix_pdb
   77    207.4   29.4  167.8      75.4    75.3     3.1 helix_pdb
   78     63.1   47.9  196.7      77.6    75.2     3.1 helix_pdb
   79     74.0   36.1  212.8      78.3    75.2     3.1 helix_pdb
   80     42.6   32.8  151.2      78.2    75.1     3.1 helix_pdb
   81     10.9   21.0  165.8      77.1    75.1     3.1 helix_pdb
   82     21.9   46.5  196.2      76.3    75.1     3.1 helix_pdb
   83    221.3   35.0  162.8      79.0    75.1     3.1 helix_pdb
   84    285.3   35.8  173.3      77.1    75.0     3.1 helix_pdb
   85     35.0   58.5  174.9      77.9    75.0     3.1 helix_pdb

      6 trial orientations in initial search
      79 trial orientations in deep search


   Scoring 510 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #8 of 8
   0%   100%
   |=====| DONE

   Mean Score (Sigma):       35.99   ( 9.96)

   SET #8 of 8 TRIAL #1 of 6
   -------------------------
   Ensemble helix_pdb Euler 260.25  25.95 169.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 36 sites over 67.5% of top
   36 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.414  0.933  0.033     100.39  5.02
   2      0.914  0.433  0.033     100.39  5.02
   3      0.358  0.468  0.165      99.05  4.80
   #Sites = 36: output truncated to 3 sites

   Top 36 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #1 of 6
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 14 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.414  0.933  0.033     87.144  5.02   0.0      2     100.39/    100.39
   2      0.745  0.443  0.384     84.966  4.49  23.5      2      97.19/     97.19
   3      0.776  0.302  0.489     83.615  4.40  27.0      2      96.68/     96.68
   #SITES = 14: OUTPUT TRUNCATED TO 3 SITES

   SET #8 of 8 TRIAL #2 of 6
   -------------------------
   Ensemble helix_pdb Euler  61.81  25.19 150.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 32 sites over 67.5% of top
   32 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.648  0.439  0.098     97.391  4.43
   2      0.148  0.939  0.098     97.391  4.43
   3      0.644  0.439  0.092     97.077  4.38
   #Sites = 32: output truncated to 3 sites

   Top 32 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #2 of 6
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.456  0.462  0.876     82.486  4.21   0.0      2     96.076/    96.076
   2      0.177  0.429  0.425     79.540  4.23  23.1      2     96.179/    96.179
   3      0.597  0.845  0.702     79.073  4.06  23.7      2     95.168/    95.168
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #8 of 8 TRIAL #3 of 6
   -------------------------
   Ensemble helix_pdb Euler  81.53  25.92 148.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.598  0.968  0.543     97.598  4.68
   2      0.098  0.468  0.543     97.598  4.68
   3      0.607  0.554  0.542     97.076  4.59
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #3 of 6
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.586  0.891  0.712     80.760  4.25   0.0      2     94.998/    94.998
   2      0.938  0.040  0.880     79.495  4.41  27.1      2     95.934/    95.934
   3      0.099  0.576  0.541     77.864  4.54  39.6      2     96.728/    96.728
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #8 of 8 TRIAL #4 of 6
   -------------------------
   Ensemble helix_pdb Euler  51.87  24.86 151.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.360  0.392  0.174     97.377  4.84
   2      0.860  0.892  0.174     97.377  4.84
   3      0.622  0.990  0.536     94.573  4.37
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #4 of 6
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.860  0.892  0.174     81.079  4.84   0.0      2     97.377/    97.377
   2      0.622  0.990  0.536     75.247  4.37  31.3      2     94.573/    94.573

   SET #8 of 8 TRIAL #5 of 6
   -------------------------
   Ensemble helix_pdb Euler 105.00  25.77 143.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.796  0.442  0.941     98.610  5.15
   2      0.296  0.942  0.941     98.610  5.15
   3      0.607  0.064  0.108     98.401  5.12
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #5 of 6
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.296  0.942  0.941     85.783  5.15   0.0      4     98.610/    98.610
   2      0.607  0.064  0.108     77.774  5.12  11.7      2     98.401/    98.401
   3      0.797  0.772  0.942     75.390  4.39  46.2      2     94.133/    94.133

   SET #8 of 8 TRIAL #6 of 6
   -------------------------
   Ensemble helix_pdb Euler 330.42  24.03 161.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.606  0.585  0.512     100.47  5.50
   2      0.106  0.085  0.512     100.47  5.50
   3      0.410  0.077  0.977      97.04  4.93
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #6 of 6
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.103  0.081  0.510     85.551  4.82   0.0      4     96.361/   100.471
   2      0.348  0.086  0.156     81.462  4.81  31.6      2     96.295/    96.295
   3      0.584  0.080  0.735     78.060  4.64  36.8      2     95.277/    95.277
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES


-------------------------
DEEP TRANSLATION FUNCTION
-------------------------

   Best TFZ is NOT over Z-score cutoff for definite solution (8.00)
   Search deep in trial orientation list

---------------------------------
DEEP TRANSLATION FUNCTION #1 OF 8
---------------------------------

   187 trial orientations in deep search


   SOLU SET  RFZ=4.7 TFZ=4.3 PAK=0 LLG=63 TFZ==5.1
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER   34.2   33.1  180.4 FRAC -0.23  0.51 -0.14 BFAC -10.07 #TFZ==5.1
   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   92.0 RFZ  4.10

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   92.0 RFZ  4.10

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.535   25.925  148.923 RF   91.3 RFZ  4.03

   SOLU TRIAL ENSEMBLE helix_pdb EULER   51.869   24.857  151.761 RF   91.3 RFZ  4.02

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   90.6 RFZ  3.94

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   90.2 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   90.2 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   90.0 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   89.9 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   89.8 RFZ  3.86

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.424   24.033  161.846 RF   89.7 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   89.7 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   89.4 RFZ  3.81

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.201   26.601  163.128 RF   89.3 RFZ  3.81

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   89.3 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   89.0 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   88.9 RFZ  3.76

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   88.8 RFZ  3.76

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   88.8 RFZ  3.75

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   88.6 RFZ  3.73

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   88.6 RFZ  3.73

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   88.5 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   88.3 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   88.2 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   88.1 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   88.1 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   87.9 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   87.9 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   87.9 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   87.9 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   87.8 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   87.8 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   87.7 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   87.6 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   87.5 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   87.4 RFZ  3.61

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   87.4 RFZ  3.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   87.3 RFZ  3.59

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   87.1 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   86.9 RFZ  3.56

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   86.9 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   86.9 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   86.8 RFZ  3.54

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   86.6 RFZ  3.52

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   86.5 RFZ  3.51

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   86.5 RFZ  3.51

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   86.5 RFZ  3.51

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   86.4 RFZ  3.50

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   86.4 RFZ  3.49

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   86.2 RFZ  3.48

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   86.1 RFZ  3.46

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   86.1 RFZ  3.46

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   85.9 RFZ  3.45

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   85.8 RFZ  3.43

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   85.7 RFZ  3.42

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   85.6 RFZ  3.41

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   85.4 RFZ  3.39

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   85.2 RFZ  3.36

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   85.1 RFZ  3.35

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   85.0 RFZ  3.34

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   85.0 RFZ  3.34

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   84.9 RFZ  3.33

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   84.8 RFZ  3.33

   SOLU TRIAL ENSEMBLE helix_pdb EULER   29.925   26.470  156.022 RF   84.7 RFZ  3.32

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.619   48.334  196.267 RF   84.5 RFZ  3.29

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   84.5 RFZ  3.29

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.203   35.142  161.594 RF   84.4 RFZ  3.28

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   84.4 RFZ  3.28

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   84.3 RFZ  3.27

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   84.3 RFZ  3.27

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   84.3 RFZ  3.27

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   84.2 RFZ  3.26

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.844   29.075  162.258 RF   84.1 RFZ  3.25

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   84.1 RFZ  3.25

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   84.0 RFZ  3.24

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   84.0 RFZ  3.24

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   84.0 RFZ  3.24

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   83.9 RFZ  3.23

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   83.9 RFZ  3.23

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   83.8 RFZ  3.22

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.791   30.761  150.363 RF   83.8 RFZ  3.22

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.453   21.186  136.283 RF   83.7 RFZ  3.21

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.853   49.425  194.168 RF   83.7 RFZ  3.21

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.078   44.065  153.168 RF   83.5 RFZ  3.19

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.561   28.504  159.572 RF   83.4 RFZ  3.18

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.262   28.939  129.773 RF   83.4 RFZ  3.18

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.388   40.196  156.612 RF   83.4 RFZ  3.18

   SOLU TRIAL ENSEMBLE helix_pdb EULER  131.617   36.655  164.234 RF   83.4 RFZ  3.17

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.649   35.266  161.001 RF   83.4 RFZ  3.17

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   83.3 RFZ  3.16

   SOLU TRIAL ENSEMBLE helix_pdb EULER   12.483   21.810  155.358 RF   83.3 RFZ  3.16

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.771   36.460  172.722 RF   83.3 RFZ  3.16

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.526   31.131  133.953 RF   83.1 RFZ  3.14

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.683   28.520  158.446 RF   83.1 RFZ  3.14

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.614   52.183  186.085 RF   83.0 RFZ  3.13

   SOLU TRIAL ENSEMBLE helix_pdb EULER  108.160   30.031  138.942 RF   83.0 RFZ  3.13

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.279   27.013  139.028 RF   83.0 RFZ  3.13

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.047   28.565  158.082 RF   82.9 RFZ  3.12

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.732   40.369  165.315 RF   82.9 RFZ  3.12

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.302   50.743  192.838 RF   82.8 RFZ  3.11

   SOLU TRIAL ENSEMBLE helix_pdb EULER  139.502   30.142  154.811 RF   82.8 RFZ  3.11

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.105   29.162  138.969 RF   82.8 RFZ  3.11

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.275   54.297  181.356 RF   82.7 RFZ  3.10

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   82.7 RFZ  3.10

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.303   26.896  133.601 RF   82.6 RFZ  3.09

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.227   45.283  158.453 RF   82.6 RFZ  3.09

   SOLU TRIAL ENSEMBLE helix_pdb EULER  147.239   28.399  136.646 RF   82.4 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  137.940   55.679  141.632 RF   82.4 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  210.850   39.450  164.662 RF   82.3 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   82.3 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.110   30.878  154.447 RF   82.2 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.705   28.038  181.965 RF   82.2 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   82.174   32.079  212.797 RF   82.2 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   38.861   16.401  156.062 RF   82.1 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.765   26.601  136.983 RF   82.1 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.560   45.317  156.800 RF   82.1 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.306   29.978  154.977 RF   82.0 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  193.405   46.199  192.801 RF   82.0 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.182   36.981  179.693 RF   82.0 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.581   30.297  164.048 RF   81.9 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.278   40.307  158.593 RF   81.9 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.791   32.132  146.853 RF   81.9 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   81.9 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.387   20.578  161.440 RF   81.9 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.760   41.761  152.978 RF   81.9 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.862   32.433  178.320 RF   81.8 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  353.579   30.665  168.047 RF   81.7 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.674   29.315  136.354 RF   81.7 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  218.966   34.600  185.712 RF   81.7 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   81.7 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   49.289   33.293  141.902 RF   81.7 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.768   30.768  159.195 RF   81.7 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.500   39.817  171.071 RF   81.7 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   88.596   14.547  113.772 RF   81.7 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  182.024   40.582  148.556 RF   81.6 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   14.334   23.518  135.651 RF   81.5 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  228.515   25.247  221.999 RF   81.5 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  214.423   56.768  173.963 RF   81.5 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.583   40.879  160.397 RF   81.4 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.350   24.444   96.617 RF   81.3 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   25.214   19.891  151.386 RF   81.3 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.138   25.215  134.276 RF   81.3 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.820   38.127  146.797 RF   81.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.743   34.377  143.791 RF   81.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   26.727   22.173  134.486 RF   81.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.257   30.048  168.017 RF   81.2 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  261.465   30.958  211.704 RF   81.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.974   29.645  155.250 RF   81.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  191.680   46.966  185.047 RF   81.1 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  177.081   30.634  164.104 RF   81.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  251.757   23.300  178.313 RF   81.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.474   32.698  151.429 RF   81.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.296   30.768  159.195 RF   81.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  301.686   18.210  172.997 RF   81.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  233.342   30.768  159.195 RF   80.9 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  120.330   37.137  144.780 RF   80.9 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  201.232   44.691  195.382 RF   80.8 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.308   53.759  154.829 RF   80.8 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.224   25.260  140.714 RF   80.8 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.828   31.579  154.758 RF   80.7 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  247.473   49.991  190.954 RF   80.7 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  273.241   25.466  218.527 RF   80.7 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  186.873   43.841  170.156 RF   80.5 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.057   41.618  149.304 RF   80.5 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  116.193   13.908   85.859 RF   80.5 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  323.822   26.217  181.423 RF   80.5 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  237.787   44.836  165.264 RF   80.4 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  212.936   41.167  203.145 RF   80.4 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  249.985    7.323  233.307 RF   80.3 RFZ  2.84 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.463   11.731  223.636 RF   80.3 RFZ  2.84 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.335   58.354  154.199 RF   80.2 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.893   24.939  180.164 RF   80.2 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   17.831   18.414  140.969 RF   80.2 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.876   44.557  156.213 RF   80.2 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.392   19.880  167.093 RF   80.2 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  235.281   18.530  222.803 RF   80.1 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.035   34.851  174.050 RF   80.1 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.095   20.634  108.809 RF   80.1 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.460   21.314  150.409 RF   80.0 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  187.914   33.960  177.620 RF   80.0 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  305.879   28.560   99.448 RF   80.0 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  327.778   16.454  154.763 RF   79.9 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  107.121   15.923  103.954 RF   79.9 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.722   30.768  159.195 RF   79.9 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  270.077   26.844  178.929 RF   79.9 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.664   28.496  175.086 RF   79.8 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.480   30.768  159.195 RF   79.8 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.483   42.272  158.790 RF   79.8 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.724    9.032  130.621 RF   79.8 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.036   32.648  147.192 RF   79.8 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.762   31.367  167.872 RF   79.8 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   78.454   33.718  128.610 RF   79.6 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   39.722   18.231  145.587 RF   79.6 RFZ  2.76 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.414    5.368  211.612 RF   79.6 RFZ  2.76 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.287   26.641  100.429 RF   79.6 RFZ  2.76 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.664   23.050  182.201 RF   79.5 RFZ  2.76 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.299   19.821  136.813 RF   79.4 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  346.738   19.547  178.670 RF   79.4 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  167.554   53.753  165.358 RF   79.4 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  167.913   39.885  143.186 RF   79.4 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  171.632   44.458  159.325 RF   79.4 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.279   48.442  147.730 RF   79.3 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.443   43.194  171.864 RF   79.3 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    2.250   24.787  138.003 RF   79.3 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.170   40.468  144.627 RF   79.3 RFZ  2.73 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.724   13.530   93.504 RF   79.2 RFZ  2.73 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  309.155   23.841  175.706 RF   79.2 RFZ  2.72 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  245.347   32.164  155.672 RF   79.1 RFZ  2.72 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  292.600   27.121  184.996 RF   79.1 RFZ  2.72 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.868   17.129  138.121 RF   79.1 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  109.395   40.969  157.891 RF   79.1 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.049   35.847  175.245 RF   79.0 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  230.234   50.904  176.489 RF   79.0 RFZ  2.70 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.480   24.023  131.089 RF   79.0 RFZ  2.70 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  200.885   37.243  147.962 RF   79.0 RFZ  2.70 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  278.572   30.768  159.195 RF   78.9 RFZ  2.70 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.242   27.811  147.025 RF   78.9 RFZ  2.69 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.664   30.768  159.195 RF   78.9 RFZ  2.69 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  205.761   41.527  180.889 RF   78.8 RFZ  2.69 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  199.461   39.034  167.248 RF   78.8 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   18.341   30.410  143.145 RF   78.8 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.583   29.426  173.150 RF   78.8 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.059   39.286  172.292 RF   78.7 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  359.138   23.339  175.345 RF   78.7 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  215.092   52.358  172.249 RF   78.7 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  159.766   34.093  132.723 RF   78.7 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.749   32.036  139.851 RF   78.6 RFZ  2.66 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  205.995   55.362  156.266 RF   78.6 RFZ  2.66 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.109   33.304  152.137 RF   78.6 RFZ  2.66 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.169   32.279  155.943 RF   78.5 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  338.494   31.758  176.517 RF   78.5 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.946   24.365  161.788 RF   78.5 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  216.502   28.412  146.594 RF   78.5 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.592   42.873  152.005 RF   78.5 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  180.647   53.219  173.617 RF   78.5 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  100.219   21.636  148.565 RF   78.4 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.618   30.768  159.195 RF   78.4 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  109.534   18.020  110.510 RF   78.4 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.488   35.661  216.142 RF   78.4 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  148.402   38.491  144.073 RF   78.4 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   46.892   28.603  167.417 RF   78.3 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  184.248   45.530  146.855 RF   78.3 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.820   37.772  178.440 RF   78.3 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  137.708   19.211   82.017 RF   78.3 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   85.319   24.505  101.394 RF   78.3 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   21.642   36.352  153.484 RF   78.3 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.302   26.056  178.161 RF   78.3 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.968   41.276  171.853 RF   78.2 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.201   37.089  156.639 RF   78.2 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.311   43.587  168.237 RF   78.2 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.507   44.542  160.874 RF   78.2 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.021   47.206  198.816 RF   78.2 RFZ  2.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    7.035   35.908  152.205 RF   78.2 RFZ  2.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  334.249   37.540  157.424 RF   78.1 RFZ  2.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.349   34.097  182.439 RF   78.1 RFZ  2.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  312.617   35.970  173.606 RF   78.1 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  200.501   39.003  204.210 RF   78.0 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.930   43.233  153.410 RF   78.0 RFZ  2.59 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  325.907   37.435  156.554 RF   77.9 RFZ  2.59 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.075   48.825  125.702 RF   77.9 RFZ  2.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   78.884   19.011  132.783 RF   77.8 RFZ  2.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  283.334    5.776  208.816 RF   77.8 RFZ  2.57 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  258.340   41.841  197.962 RF   77.7 RFZ  2.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  274.412   29.322  185.075 RF   77.7 RFZ  2.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.077   32.635  209.533 RF   77.6 RFZ  2.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  309.154    9.012  183.123 RF   77.6 RFZ  2.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  223.672   39.646  202.230 RF   77.6 RFZ  2.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.129   11.878  183.406 RF   77.6 RFZ  2.55 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.323   24.669  141.232 RF   77.5 RFZ  2.55 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.829   11.489  197.872 RF   77.5 RFZ  2.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  359.706   33.033  159.523 RF   77.4 RFZ  2.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  137.842   32.059  167.509 RF   77.4 RFZ  2.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  247.179   41.198  187.738 RF   77.4 RFZ  2.53 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   15.489   12.042  160.765 RF   77.4 RFZ  2.53 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  253.287   30.342  146.391 RF   77.3 RFZ  2.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  279.689   26.024  178.281 RF   77.3 RFZ  2.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  339.282   19.463  161.916 RF   77.3 RFZ  2.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.161   49.159  155.492 RF   77.2 RFZ  2.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  142.833   27.362  131.753 RF   77.2 RFZ  2.51 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.455   46.601  141.028 RF   77.0 RFZ  2.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.145   32.296  186.766 RF   77.0 RFZ  2.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.617    8.605  197.042 RF   77.0 RFZ  2.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  141.369   61.887  148.003 RF   77.0 RFZ  2.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  277.591   30.448  204.591 RF   76.9 RFZ  2.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.687   43.189  184.295 RF   76.9 RFZ  2.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.392   32.726  161.404 RF   76.9 RFZ  2.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  167.053   44.483  143.665 RF   76.9 RFZ  2.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  236.553   23.205  184.621 RF   76.9 RFZ  2.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.885   20.049  142.016 RF   76.8 RFZ  2.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.150   30.735  150.055 RF   76.8 RFZ  2.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.996   49.044  164.605 RF   76.8 RFZ  2.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.632   23.111  140.179 RF   76.8 RFZ  2.46 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  234.049   22.834  148.435 RF   76.8 RFZ  2.46 # DEEP

   Scoring 586 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #1 of 8
   0%            100%
   |==============| DONE

   Mean Score (Sigma):       33.66   (10.31)

   SET #1 of 8 TRIAL #107 of 293 (TRIAL #1 of 187 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 147.24  28.40 136.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #108 of 293 (TRIAL #2 of 187 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 137.94  55.68 141.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #109 of 293 (TRIAL #3 of 187 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 210.85  39.45 164.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #110 of 293 (TRIAL #4 of 187 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  34.98  58.45 174.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #111 of 293 (TRIAL #5 of 187 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 176.11  30.88 154.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.247  0.384  0.567     98.088  5.08
   2      0.747  0.884  0.567     98.088  5.08
   3      0.427  0.251  0.388     95.192  4.62
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #111 of 293 (TRIAL #5 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.208  0.719  0.833     78.639  4.34   0.0      2     93.418/    93.418
   2      0.427  0.251  0.388     78.366  4.62  29.3      2     95.192/    95.192
   3      0.185  0.257  0.391     76.233  4.37  28.9      2     93.563/    93.563
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #112 of 293 (TRIAL #6 of 187 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 304.70  28.04 181.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #113 of 293 (TRIAL #7 of 187 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  82.17  32.08 212.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #114 of 293 (TRIAL #8 of 187 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  38.86  16.40 156.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #115 of 293 (TRIAL #9 of 187 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 128.76  26.60 136.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #116 of 293 (TRIAL #10 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 197.56  45.32 156.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #117 of 293 (TRIAL #11 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 130.31  29.98 154.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.715  0.918  0.377     99.981  5.17
   2      0.215  0.418  0.377     99.981  5.17
   3      0.715  0.485  0.377     97.605  4.80
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #117 of 293 (TRIAL #11 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.784  0.347  0.932     80.181  4.43   0.0      2     95.220/    95.220
   2      0.715  0.918  0.377     78.779  5.17  33.1      4     99.981/    99.981
   3      0.291  0.511  0.548     72.783  4.37  26.8      2     94.793/    94.793
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #118 of 293 (TRIAL #12 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 193.41  46.20 192.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #119 of 293 (TRIAL #13 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 206.18  36.98 179.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #120 of 293 (TRIAL #14 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 192.58  30.30 164.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.658  0.679  0.841     95.180  4.66
   2      0.158  0.179  0.841     95.180  4.66
   3      0.209  0.204  0.455     95.033  4.64
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #120 of 293 (TRIAL #14 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.194  0.737  0.586     85.036  4.62   0.0      2     94.898/    94.898
   2      0.243  0.954  0.407     76.908  4.51  15.6      4     94.188/    94.188
   3      0.665  0.678  0.850     76.621  4.40  35.1      2     93.532/    93.532
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #121 of 293 (TRIAL #15 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 197.28  40.31 158.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.605  0.833  0.107     92.101  5.09
   2      0.105  0.333  0.107     92.101  5.09

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #121 of 293 (TRIAL #15 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.605  0.833  0.107     82.799  5.09   0.0      2     92.101/    92.101

   SET #1 of 8 TRIAL #122 of 293 (TRIAL #16 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 194.79  32.13 146.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.247  0.447  0.575     98.209  5.20
   2      0.747  0.947  0.575     98.209  5.20
   3      0.230  0.440  0.896     97.152  5.02
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #122 of 293 (TRIAL #16 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.730  0.940  0.896     82.366  5.02   0.0      2     97.152/    97.152
   2      0.247  0.447  0.575     81.794  5.20  33.5      2     98.209/    98.209
   3      0.251  0.925  0.448     76.879  4.75  23.0      2     95.532/    95.532
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #123 of 293 (TRIAL #17 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 207.91  27.89 176.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.268  0.555  0.721     93.476  4.91
   2      0.768  0.055  0.721     93.476  4.91

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #123 of 293 (TRIAL #17 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.268  0.555  0.721     90.348  4.91   0.0      2     93.476/    93.476

   SET #1 of 8 TRIAL #124 of 293 (TRIAL #18 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 285.39  20.58 161.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.798  0.905  0.644     97.266  5.92
   2      0.298  0.405  0.644     97.266  5.92
   3      0.795  0.903  0.638     93.349  5.23
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #124 of 293 (TRIAL #18 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.798  0.905  0.644     91.446  5.92   0.0      4     97.266/    97.266

   SET #1 of 8 TRIAL #125 of 293 (TRIAL #19 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 209.76  41.76 152.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #126 of 293 (TRIAL #20 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 206.86  32.43 178.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #127 of 293 (TRIAL #21 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 353.58  30.67 168.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.490  0.263  0.855     93.929  4.44
   2      0.990  0.763  0.855     93.929  4.44

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #127 of 293 (TRIAL #21 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.990  0.763  0.855     76.818  4.44   0.0      2     93.929/    93.929

   SET #1 of 8 TRIAL #128 of 293 (TRIAL #22 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 156.67  29.32 136.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.433  0.046  0.253     94.358  5.36
   2      0.933  0.546  0.253     94.358  5.36

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #128 of 293 (TRIAL #22 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.933  0.546  0.253     85.649  5.36   0.0      2     94.358/    94.358

   SET #1 of 8 TRIAL #129 of 293 (TRIAL #23 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 218.97  34.60 185.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #130 of 293 (TRIAL #24 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 207.45  29.35 167.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.704  0.135  0.596     97.424  5.31
   2      0.204  0.635  0.596     97.424  5.31
   3      0.266  0.117  0.580     94.421  4.80
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #130 of 293 (TRIAL #24 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.204  0.635  0.596     90.046  5.31   0.0      2     97.424/    97.424

   SET #1 of 8 TRIAL #131 of 293 (TRIAL #25 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  49.29  33.29 141.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #132 of 293 (TRIAL #26 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 153.77  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 22 sites over 67.5% of top
   22 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.661  0.914  0.322     96.646  4.76
   2      0.161  0.414  0.322     96.646  4.76
   3      0.691  0.768  0.388     96.441  4.73
   #Sites = 22: output truncated to 3 sites

   Top 22 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #132 of 293 (TRIAL #26 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.248  0.412  0.558     76.448  4.44   0.0      2     94.541/    94.541
   2      0.692  0.823  0.771     75.954  4.32  26.7      2     93.768/    93.768
   3      0.691  0.768  0.388     75.403  4.73   9.5      2     96.441/    96.441
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #133 of 293 (TRIAL #27 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 174.50  39.82 171.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #134 of 293 (TRIAL #28 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  88.60  14.55 113.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #135 of 293 (TRIAL #29 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 182.02  40.58 148.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #136 of 293 (TRIAL #30 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  14.33  23.52 135.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #137 of 293 (TRIAL #31 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 228.52  25.25 222.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #138 of 293 (TRIAL #32 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 214.42  56.77 173.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #139 of 293 (TRIAL #33 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 125.58  40.88 160.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #140 of 293 (TRIAL #34 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 300.35  24.44  96.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.544  0.372  0.011     93.628  5.33
   2      0.044  0.872  0.011     93.628  5.33

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #140 of 293 (TRIAL #34 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.544  0.372  0.011     89.837  5.33   0.0      2     93.628/    93.628

   SET #1 of 8 TRIAL #141 of 293 (TRIAL #35 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  25.21  19.89 151.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #142 of 293 (TRIAL #36 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  31.14  25.21 134.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #143 of 293 (TRIAL #37 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 136.82  38.13 146.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #144 of 293 (TRIAL #38 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  37.74  34.38 143.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #145 of 293 (TRIAL #39 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  26.73  22.17 134.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #146 of 293 (TRIAL #40 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler   9.26  30.05 168.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.386  0.348  0.631     99.693  5.42
   2      0.886  0.848  0.631     99.693  5.42
   3      0.334  0.332  0.517     94.965  4.62
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #146 of 293 (TRIAL #40 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.497  0.333  0.862     79.028  4.51   0.0      2     94.329/    94.329
   2      0.886  0.848  0.631     70.954  5.42  30.6      2     99.693/    99.693

   SET #1 of 8 TRIAL #147 of 293 (TRIAL #41 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 261.47  30.96 211.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #148 of 293 (TRIAL #42 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 111.97  29.65 155.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 26 sites over 67.5% of top
   26 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.306  0.523  0.541     98.912  5.13
   2      0.806  0.023  0.541     98.912  5.13
   3      0.758  0.029  0.432     97.944  4.98
   #Sites = 26: output truncated to 3 sites

   Top 26 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #148 of 293 (TRIAL #42 of 187 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.346  0.513  0.663     80.769  4.81   0.0      2     96.875/    96.875
   2      0.804  0.354  0.928     78.707  4.30  30.7      2     93.641/    93.641
   3      0.737  0.025  0.431     77.576  4.95  13.0      4     97.792/    97.792
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #149 of 293 (TRIAL #43 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 191.68  46.97 185.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #150 of 293 (TRIAL #44 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 177.08  30.63 164.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.208  0.260  0.452     95.281  4.73
   2      0.708  0.760  0.452     95.281  4.73
   3      0.211  0.708  0.339     94.452  4.60
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #150 of 293 (TRIAL #44 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.687  0.830  0.453     77.027  4.42   0.0      2     93.373/    93.373
   2      0.139  0.788  0.464     76.859  4.53  13.3      2     94.020/    94.020
   3      0.157  0.077  0.611     73.516  4.43  18.3      2     93.417/    93.417
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #151 of 293 (TRIAL #45 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 251.76  23.30 178.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #152 of 293 (TRIAL #46 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 221.47  32.70 151.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.242  0.242  0.074     94.036  4.76
   2      0.742  0.742  0.074     94.036  4.76
   3      0.298  0.247  0.690     93.366  4.65
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #152 of 293 (TRIAL #46 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.298  0.247  0.690     74.911  4.65   0.0      2     93.366/    93.366
   2      0.242  0.242  0.074     69.008  4.76  28.0      2     94.036/    94.036

   SET #1 of 8 TRIAL #153 of 293 (TRIAL #47 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 224.30  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.218  0.150  0.464     95.399  4.82
   2      0.718  0.650  0.464     95.399  4.82

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #153 of 293 (TRIAL #47 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.718  0.650  0.464     66.716  4.82   0.0      2     95.399/    95.399

   SET #1 of 8 TRIAL #154 of 293 (TRIAL #48 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 301.69  18.21 173.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #155 of 293 (TRIAL #49 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 233.34  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.677  0.606  0.354     95.696  4.85
   2      0.177  0.106  0.354     95.696  4.85
   3      0.263  0.127  0.585     94.113  4.60
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #155 of 293 (TRIAL #49 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.763  0.627  0.585     74.481  4.60   0.0      2     94.113/    94.113
   2      0.230  0.128  0.469     68.955  4.40  12.5      4     92.829/    93.640
   3      0.177  0.106  0.354     68.534  4.85  12.2      2     95.696/    95.696

   SET #1 of 8 TRIAL #156 of 293 (TRIAL #50 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 120.33  37.14 144.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #157 of 293 (TRIAL #51 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 201.23  44.69 195.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #158 of 293 (TRIAL #52 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 156.31  53.76 154.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #159 of 293 (TRIAL #53 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  52.22  25.26 140.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.807  0.284  0.453     93.263  5.46
   2      0.307  0.784  0.453     93.263  5.46

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #159 of 293 (TRIAL #53 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.807  0.284  0.453     90.144  5.46   0.0      2     93.263/    93.263

   SET #1 of 8 TRIAL #160 of 293 (TRIAL #54 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 209.83  31.58 154.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.205  0.263  0.458     95.045  4.93
   2      0.705  0.763  0.458     95.045  4.93
   3      0.703  0.763  0.458     93.895  4.75
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #160 of 293 (TRIAL #54 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.297  0.242  0.688     70.987  4.72   0.0      2     93.695/    93.695
   2      0.705  0.763  0.458     70.546  4.93  14.6      4     95.045/    95.045

   SET #1 of 8 TRIAL #161 of 293 (TRIAL #55 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 247.47  49.99 190.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #162 of 293 (TRIAL #56 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 273.24  25.47 218.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #163 of 293 (TRIAL #57 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 186.87  43.84 170.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #164 of 293 (TRIAL #58 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 197.06  41.62 149.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #165 of 293 (TRIAL #59 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 116.19  13.91  85.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #166 of 293 (TRIAL #60 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 323.82  26.22 181.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #167 of 293 (TRIAL #61 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 237.79  44.84 165.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #168 of 293 (TRIAL #62 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 212.94  41.17 203.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #169 of 293 (TRIAL #63 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 249.99   7.32 233.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #170 of 293 (TRIAL #64 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  72.46  11.73 223.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #171 of 293 (TRIAL #65 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 156.33  58.35 154.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #172 of 293 (TRIAL #66 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 231.89  24.94 180.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #173 of 293 (TRIAL #67 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  17.83  18.41 140.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #174 of 293 (TRIAL #68 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 155.88  44.56 156.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #175 of 293 (TRIAL #69 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 316.39  19.88 167.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #176 of 293 (TRIAL #70 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 235.28  18.53 222.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #177 of 293 (TRIAL #71 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 179.04  34.85 174.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #178 of 293 (TRIAL #72 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 101.10  20.63 108.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #179 of 293 (TRIAL #73 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  89.46  21.31 150.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #180 of 293 (TRIAL #74 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 187.91  33.96 177.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #181 of 293 (TRIAL #75 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 305.88  28.56  99.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #182 of 293 (TRIAL #76 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 327.78  16.45 154.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #183 of 293 (TRIAL #77 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 107.12  15.92 103.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #184 of 293 (TRIAL #78 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 144.72  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.667  0.940  0.321     96.600  5.02
   2      0.167  0.440  0.321     96.600  5.02
   3      0.723  0.990  0.439     95.960  4.93
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #184 of 293 (TRIAL #78 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.253  0.441  0.556     77.351  4.75   0.0      2     94.839/    94.839
   2      0.667  0.940  0.321     74.545  5.02  13.5      2     96.600/    96.600
   3      0.700  0.949  0.441     70.166  4.82  12.5      2     95.234/    95.234
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #185 of 293 (TRIAL #79 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 270.08  26.84 178.93 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #186 of 293 (TRIAL #80 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 350.66  28.50 175.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #187 of 293 (TRIAL #81 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 260.48  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.703  0.558  0.359     96.266  5.23
   2      0.203  0.058  0.359     96.266  5.23
   3      0.731  0.423  0.421     92.704  4.67
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #187 of 293 (TRIAL #81 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.703  0.558  0.359     77.321  5.23   0.0      2     96.266/    96.266
   2      0.684  0.571  0.365     73.681  4.64   2.0      2     92.494/    92.494
   3      0.701  0.533  0.856     73.410  4.62  30.4      2     92.388/    92.388
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #188 of 293 (TRIAL #82 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 242.48  42.27 158.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #189 of 293 (TRIAL #83 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  63.72   9.03 130.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #190 of 293 (TRIAL #84 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 204.04  32.65 147.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.244  0.406  0.576     93.782  4.85
   2      0.744  0.906  0.576     93.782  4.85

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #190 of 293 (TRIAL #84 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.244  0.406  0.576     74.607  4.85   0.0      2     93.782/    93.782

   SET #1 of 8 TRIAL #191 of 293 (TRIAL #85 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 155.76  31.37 167.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #192 of 293 (TRIAL #86 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  78.45  33.72 128.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #193 of 293 (TRIAL #87 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  39.72  18.23 145.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #194 of 293 (TRIAL #88 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 101.41   5.37 211.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.233  0.448  0.102     98.836  6.74
   2      0.733  0.948  0.102     98.836  6.74
   3      0.234  0.451  0.106     97.122  6.43
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #194 of 293 (TRIAL #88 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.233  0.448  0.102     98.567  6.74   0.0      6     98.836/    98.836

   SET #1 of 8 TRIAL #195 of 293 (TRIAL #89 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 136.29  26.64 100.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #196 of 293 (TRIAL #90 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 332.66  23.05 182.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #197 of 293 (TRIAL #91 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  37.30  19.82 136.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #198 of 293 (TRIAL #92 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 346.74  19.55 178.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #199 of 293 (TRIAL #93 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 167.55  53.75 165.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #200 of 293 (TRIAL #94 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 167.91  39.89 143.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #201 of 293 (TRIAL #95 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 171.63  44.46 159.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #202 of 293 (TRIAL #96 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 153.28  48.44 147.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #203 of 293 (TRIAL #97 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 195.44  43.19 171.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #204 of 293 (TRIAL #98 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler   2.25  24.79 138.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #205 of 293 (TRIAL #99 of 187 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 176.17  40.47 144.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #206 of 293 (TRIAL #100 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 287.72  13.53  93.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.540  0.374  0.017     93.197  5.74
   2      0.040  0.874  0.017     93.197  5.74

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #206 of 293 (TRIAL #100 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.540  0.374  0.017     91.056  5.74   0.0      2     93.197/    93.197

   SET #1 of 8 TRIAL #207 of 293 (TRIAL #101 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 309.16  23.84 175.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.779  0.621  0.290     94.419  5.98
   2      0.279  0.121  0.290     94.419  5.98
   3      0.776  0.622  0.285     92.897  5.73
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #207 of 293 (TRIAL #101 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.279  0.121  0.290     91.185  5.98   0.0      4     94.419/    94.419

   SET #1 of 8 TRIAL #208 of 293 (TRIAL #102 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 245.35  32.16 155.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.678  0.634  0.353     97.153  5.45
   2      0.178  0.134  0.353     97.153  5.45
   3      0.264  0.134  0.584     93.459  4.88
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #208 of 293 (TRIAL #102 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.678  0.634  0.353     72.863  5.45   0.0      2     97.153/    97.153
   2      0.264  0.134  0.584     72.810  4.88  12.6      2     93.459/    93.459

   SET #1 of 8 TRIAL #209 of 293 (TRIAL #103 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 292.60  27.12 185.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #210 of 293 (TRIAL #104 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  55.87  17.13 138.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #211 of 293 (TRIAL #105 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 109.40  40.97 157.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #212 of 293 (TRIAL #106 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 238.05  35.85 175.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #213 of 293 (TRIAL #107 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 230.23  50.90 176.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #214 of 293 (TRIAL #108 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  79.48  24.02 131.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #215 of 293 (TRIAL #109 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 200.88  37.24 147.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #216 of 293 (TRIAL #110 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 278.57  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.274  0.042  0.478     96.377  5.11
   2      0.774  0.542  0.478     96.377  5.11
   3      0.704  0.548  0.367     95.411  4.96
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #216 of 293 (TRIAL #110 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.274  0.042  0.478     76.966  5.11   0.0      2     96.377/    96.377
   2      0.204  0.048  0.367     76.873  4.96   5.7      2     95.411/    95.411
   3      0.720  0.544  0.363     73.946  4.85  15.4      4     94.632/    94.632
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #217 of 293 (TRIAL #111 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 206.24  27.81 147.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.397  0.254  0.408     95.105  4.70
   2      0.897  0.754  0.408     95.105  4.70
   3      0.677  0.848  0.468     94.963  4.68
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #217 of 293 (TRIAL #111 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.397  0.254  0.408     71.793  4.70   0.0      2     95.105/    95.105
   2      0.228  0.345  0.587     68.486  4.53  24.7      2     94.062/    94.062
   3      0.779  0.783  0.196     66.811  4.66  32.5      2     94.858/    94.858
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #218 of 293 (TRIAL #112 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 296.66  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.746  0.542  0.374     96.117  5.04
   2      0.246  0.042  0.374     96.117  5.04
   3      0.747  0.503  0.874     95.486  4.94
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #218 of 293 (TRIAL #112 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.771  0.552  0.479     75.949  4.49   0.0      4     92.508/    95.475
   2      0.691  0.545  0.254     73.132  4.54  11.1      2     92.819/    92.819
   3      0.747  0.503  0.874     73.023  4.94  26.6      2     95.486/    95.486
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #219 of 293 (TRIAL #113 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 205.76  41.53 180.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #220 of 293 (TRIAL #114 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 199.46  39.03 167.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #221 of 293 (TRIAL #115 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  18.34  30.41 143.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #222 of 293 (TRIAL #116 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 192.58  29.43 173.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #223 of 293 (TRIAL #117 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 183.06  39.29 172.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #224 of 293 (TRIAL #118 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 359.14  23.34 175.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #225 of 293 (TRIAL #119 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 215.09  52.36 172.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #226 of 293 (TRIAL #120 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 159.77  34.09 132.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #227 of 293 (TRIAL #121 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 239.75  32.04 139.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 24 sites over 67.5% of top
   24 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.517  0.839  0.642     97.199  4.54
   2      0.017  0.339  0.642     97.199  4.54
   3      0.559  0.833  0.254     97.050  4.52
   #Sites = 24: output truncated to 3 sites

   Top 24 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #227 of 293 (TRIAL #121 of 187 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.278  0.791  0.798     69.242  4.13   0.0      2     94.687/    94.687
   2      0.993  0.825  0.691     66.607  4.26  22.6      2     95.500/    95.500
   3      0.762  0.780  0.028     65.111  4.40  13.8      2     96.324/    96.324
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #228 of 293 (TRIAL #122 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 206.00  55.36 156.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #229 of 293 (TRIAL #123 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 239.11  33.30 152.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.254  0.200  0.583     92.884  4.87
   2      0.754  0.700  0.583     92.884  4.87

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #229 of 293 (TRIAL #123 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.254  0.200  0.583     66.586  4.87   0.0      2     92.884/    92.884

   SET #1 of 8 TRIAL #230 of 293 (TRIAL #124 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 254.17  32.28 155.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.685  0.613  0.353     99.011  5.84
   2      0.185  0.113  0.353     99.011  5.84
   3      0.271  0.110  0.585     92.845  4.90
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #230 of 293 (TRIAL #124 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.185  0.113  0.353     77.728  5.84   0.0      2     99.011/    99.011
   2      0.771  0.610  0.585     72.319  4.90  12.3      2     92.845/    92.845
   3      0.670  0.623  0.361     67.536  4.71  18.2      2     91.660/    91.660

   SET #1 of 8 TRIAL #231 of 293 (TRIAL #125 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 338.49  31.76 176.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.436  0.245  0.064     92.391  5.24
   2      0.936  0.745  0.064     92.391  5.24

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #231 of 293 (TRIAL #125 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.936  0.745  0.064     79.702  5.24   0.0      2     92.391/    92.391

   SET #1 of 8 TRIAL #232 of 293 (TRIAL #126 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 239.95  24.37 161.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.268  0.535  0.731     94.177  5.11
   2      0.768  0.035  0.731     94.177  5.11

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #232 of 293 (TRIAL #126 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.768  0.035  0.731     83.954  5.11   0.0      2     94.177/    94.177

   SET #1 of 8 TRIAL #233 of 293 (TRIAL #127 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 216.50  28.41 146.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.683  0.800  0.474     94.576  4.71
   2      0.183  0.300  0.474     94.576  4.71
   3      0.279  0.290  0.698     94.381  4.68
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #233 of 293 (TRIAL #127 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.778  0.737  0.197     67.712  4.46   0.0      2     93.063/    93.063
   2      0.779  0.790  0.698     65.279  4.68  31.7      4     94.381/    94.381
   3      0.183  0.300  0.474     60.528  4.71  21.5      2     94.576/    94.576

   SET #1 of 8 TRIAL #234 of 293 (TRIAL #128 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 219.59  42.87 152.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #235 of 293 (TRIAL #129 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 180.65  53.22 173.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #236 of 293 (TRIAL #130 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 100.22  21.64 148.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #237 of 293 (TRIAL #131 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 287.62  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.286  0.040  0.481     95.920  5.09
   2      0.786  0.540  0.481     95.920  5.09
   3      0.714  0.547  0.368     94.748  4.91
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #237 of 293 (TRIAL #131 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.786  0.540  0.481     79.210  5.09   0.0      2     95.920/    95.920
   2      0.714  0.547  0.368     74.698  4.91   5.8      2     94.748/    94.748
   3      0.237  1.000  0.872     72.199  4.76  23.8      2     93.766/    93.766
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #238 of 293 (TRIAL #132 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 109.53  18.02 110.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #239 of 293 (TRIAL #133 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  81.49  35.66 216.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #240 of 293 (TRIAL #134 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 148.40  38.49 144.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #241 of 293 (TRIAL #135 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  46.89  28.60 167.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.320  0.484  0.533     96.778  5.24
   2      0.820  0.984  0.533     96.778  5.24
   3      0.426  0.487  0.761     95.210  4.99
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #241 of 293 (TRIAL #135 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.926  0.987  0.761     75.938  4.99   0.0      2     95.210/    95.210
   2      0.820  0.984  0.533     68.669  5.24  11.0      2     96.778/    96.778

   SET #1 of 8 TRIAL #242 of 293 (TRIAL #136 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 184.25  45.53 146.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #243 of 293 (TRIAL #137 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 197.82  37.77 178.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #244 of 293 (TRIAL #138 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 137.71  19.21  82.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #245 of 293 (TRIAL #139 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  85.32  24.50 101.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #246 of 293 (TRIAL #140 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  21.64  36.35 153.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 20 sites over 67.5% of top
   20 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.723  0.658  0.780     99.596  5.44
   2      0.223  0.158  0.780     99.596  5.44
   3      0.519  0.295  0.513     96.765  4.98
   #Sites = 20: output truncated to 3 sites

   Top 20 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #246 of 293 (TRIAL #140 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.019  0.795  0.513     90.023  4.98   0.0      4     96.765/    96.765
   2      0.723  0.658  0.780     77.467  5.44  35.8      2     99.596/    99.596
   3      0.725  0.140  0.967     76.807  4.54  28.1      2     94.105/    94.105

   SET #1 of 8 TRIAL #247 of 293 (TRIAL #141 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 352.30  26.06 178.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #248 of 293 (TRIAL #142 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 153.97  41.28 171.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #249 of 293 (TRIAL #143 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  56.20  37.09 156.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.772  0.794  0.897     95.064  4.89
   2      0.272  0.294  0.897     95.064  4.89
   3      0.666  0.791  0.168     93.476  4.64
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #249 of 293 (TRIAL #143 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.666  0.791  0.168     71.735  4.64   0.0      2     93.476/    93.476
   2      0.272  0.294  0.897     67.622  4.89  14.8      2     95.064/    95.064

   SET #1 of 8 TRIAL #250 of 293 (TRIAL #144 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 217.31  43.59 168.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #251 of 293 (TRIAL #145 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 179.51  44.54 160.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #252 of 293 (TRIAL #146 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  30.02  47.21 198.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.249  0.443  0.011     92.355  5.84
   2      0.749  0.943  0.011     92.355  5.84

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #252 of 293 (TRIAL #146 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.749  0.943  0.011     89.826  5.84   0.0      2     92.355/    92.355

   SET #1 of 8 TRIAL #253 of 293 (TRIAL #147 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler   7.04  35.91 152.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.718  0.594  0.778     95.829  4.91
   2      0.218  0.094  0.778     95.829  4.91
   3      0.715  0.592  0.772     95.425  4.85
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #253 of 293 (TRIAL #147 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.218  0.094  0.778     75.000  4.91   0.0      4     95.829/    95.829
   2      0.824  0.034  0.001     70.313  4.62  16.9      2     93.999/    93.999
   3      0.772  0.608  0.884     69.442  4.61  44.1      2     93.970/    93.970
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #254 of 293 (TRIAL #148 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 334.25  37.54 157.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 22 sites over 67.5% of top
   22 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.743  0.658  0.267     98.141  5.05
   2      0.243  0.158  0.267     98.141  5.05
   3      0.281  0.163  0.497     98.014  5.03
   #Sites = 22: output truncated to 3 sites

   Top 22 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #254 of 293 (TRIAL #148 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.719  0.499  0.101     75.731  4.42   0.0      2     94.174/    94.174

   SET #1 of 8 TRIAL #255 of 293 (TRIAL #149 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 231.35  34.10 182.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #256 of 293 (TRIAL #150 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 312.62  35.97 173.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #257 of 293 (TRIAL #151 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 200.50  39.00 204.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #258 of 293 (TRIAL #152 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 227.93  43.23 153.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #259 of 293 (TRIAL #153 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 325.91  37.44 156.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.717  0.658  0.373     97.524  5.07
   2      0.217  0.158  0.373     97.524  5.07
   3      0.769  0.652  0.488     96.902  4.97
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #259 of 293 (TRIAL #153 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.679  0.653  0.254     64.221  4.53   0.0      2     94.112/    94.112
   2      0.275  0.150  0.497     63.692  4.75  17.9      4     95.525/    96.902
   3      0.738  0.640  0.266     59.917  4.97   5.0      2     96.880/    96.880
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 8 TRIAL #260 of 293 (TRIAL #154 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 165.07  48.82 125.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #261 of 293 (TRIAL #155 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  78.88  19.01 132.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #262 of 293 (TRIAL #156 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 283.33   5.78 208.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #263 of 293 (TRIAL #157 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 258.34  41.84 197.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #264 of 293 (TRIAL #158 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 274.41  29.32 185.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #265 of 293 (TRIAL #159 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 254.08  32.64 209.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #266 of 293 (TRIAL #160 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 309.15   9.01 183.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #267 of 293 (TRIAL #161 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 223.67  39.65 202.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #268 of 293 (TRIAL #162 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 300.13  11.88 183.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #269 of 293 (TRIAL #163 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 152.32  24.67 141.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #270 of 293 (TRIAL #164 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 276.83  11.49 197.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #271 of 293 (TRIAL #165 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 359.71  33.03 159.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.374  0.214  0.624     96.194  5.41
   2      0.874  0.714  0.624     96.194  5.41
   3      0.336  0.199  0.391     93.995  5.07
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #271 of 293 (TRIAL #165 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.874  0.714  0.624     73.906  5.41   0.0      2     96.194/    96.194
   2      0.836  0.699  0.391     67.453  5.07  12.8      2     93.995/    93.995

   SET #1 of 8 TRIAL #272 of 293 (TRIAL #166 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 137.84  32.06 167.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #273 of 293 (TRIAL #167 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 247.18  41.20 187.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #274 of 293 (TRIAL #168 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  15.49  12.04 160.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #275 of 293 (TRIAL #169 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 253.29  30.34 146.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.652  0.644  0.361     100.41  5.74
   2      0.152  0.144  0.361     100.41  5.74
   3      0.655  0.645  0.364      93.89  4.74
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #275 of 293 (TRIAL #169 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.652  0.644  0.361     68.755  5.74   0.0      4     100.41/    100.41
   2      0.154  0.989  0.861     64.891  4.49  30.2      2      92.32/     92.32

   SET #1 of 8 TRIAL #276 of 293 (TRIAL #170 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 279.69  26.02 178.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.790  0.529  0.390     91.235  5.63
   2      0.290  0.029  0.390     91.235  5.63

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #276 of 293 (TRIAL #170 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.290  0.029  0.390     81.277  5.63   0.0      2     91.235/    91.235

   SET #1 of 8 TRIAL #277 of 293 (TRIAL #171 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 339.28  19.46 161.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #278 of 293 (TRIAL #172 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 156.16  49.16 155.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #279 of 293 (TRIAL #173 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 142.83  27.36 131.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #280 of 293 (TRIAL #174 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 140.46  46.60 141.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #281 of 293 (TRIAL #175 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 302.14  32.30 186.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #282 of 293 (TRIAL #176 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 332.62   8.61 197.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #283 of 293 (TRIAL #177 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 141.37  61.89 148.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #284 of 293 (TRIAL #178 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 277.59  30.45 204.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #285 of 293 (TRIAL #179 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 231.69  43.19 184.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #286 of 293 (TRIAL #180 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  52.39  32.73 161.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.315  0.398  0.524     93.765  5.00
   2      0.815  0.898  0.524     93.765  5.00

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #286 of 293 (TRIAL #180 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.815  0.898  0.524     67.765  5.00   0.0      2     93.765/    93.765

   SET #1 of 8 TRIAL #287 of 293 (TRIAL #181 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 167.05  44.48 143.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #288 of 293 (TRIAL #182 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 236.55  23.20 184.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #289 of 293 (TRIAL #183 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 330.88  20.05 142.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #290 of 293 (TRIAL #184 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 350.15  30.73 150.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.813  0.607  0.503     93.689  5.23
   2      0.313  0.107  0.503     93.689  5.23
   3      0.370  0.085  0.622     93.233  5.16
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #290 of 293 (TRIAL #184 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.370  0.085  0.622     72.052  5.16   0.0      2     93.233/    93.233
   2      0.813  0.607  0.503     70.606  5.23  17.5      2     93.689/    93.689
   3      0.888  0.580  0.627     66.965  5.03  21.7      2     92.415/    92.415

   SET #1 of 8 TRIAL #291 of 293 (TRIAL #185 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 177.00  49.04 164.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #292 of 293 (TRIAL #186 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 341.63  23.11 140.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 8 TRIAL #293 of 293 (TRIAL #187 of 187 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 234.05  22.83 148.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.252  0.117  0.598     94.361  4.60
   2      0.752  0.617  0.598     94.361  4.60

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 8 TRIAL #293 of 293 (TRIAL #187 of 187 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.752  0.617  0.598     56.012  4.60   0.0      2     94.361/    94.361


---------------------------------
DEEP TRANSLATION FUNCTION #2 OF 8
---------------------------------

   181 trial orientations in deep search


   SOLU SET  RFZ=4.7 TFZ=3.8 PAK=0 LLG=59
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER   39.7   32.0  181.3 FRAC -0.20  0.03 -0.08 BFAC -10.38
   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   88.6 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   88.5 RFZ  4.00

   SOLU TRIAL ENSEMBLE helix_pdb EULER   51.869   24.857  151.761 RF   88.1 RFZ  3.96

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   87.6 RFZ  3.90

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.535   25.925  148.923 RF   87.2 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   86.9 RFZ  3.83

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   86.8 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   86.7 RFZ  3.81

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   86.6 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.424   24.033  161.846 RF   86.4 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.201   26.601  163.128 RF   86.4 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   86.2 RFZ  3.76

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   86.2 RFZ  3.76

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   86.1 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   86.0 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   85.5 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   85.5 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   85.5 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   85.3 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   85.3 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   85.2 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   85.1 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   85.0 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   84.9 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   84.8 RFZ  3.61

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   84.8 RFZ  3.61

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   84.7 RFZ  3.61

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   84.7 RFZ  3.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   84.7 RFZ  3.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   84.7 RFZ  3.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   84.5 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   84.5 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   84.5 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   84.2 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   84.1 RFZ  3.54

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   84.0 RFZ  3.53

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   83.9 RFZ  3.52

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   83.9 RFZ  3.52

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   83.8 RFZ  3.51

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   83.8 RFZ  3.50

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   83.7 RFZ  3.50

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   83.5 RFZ  3.48

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   83.5 RFZ  3.48

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   83.4 RFZ  3.47

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   83.3 RFZ  3.46

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   83.1 RFZ  3.43

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   82.8 RFZ  3.41

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   82.6 RFZ  3.38

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   82.5 RFZ  3.38

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   82.4 RFZ  3.37

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   82.4 RFZ  3.36

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   82.4 RFZ  3.36

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   82.3 RFZ  3.35

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   82.3 RFZ  3.35

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   82.3 RFZ  3.35

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   82.1 RFZ  3.33

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   82.1 RFZ  3.33

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   82.1 RFZ  3.33

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   82.1 RFZ  3.33

   SOLU TRIAL ENSEMBLE helix_pdb EULER   29.925   26.470  156.022 RF   81.6 RFZ  3.27

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   81.5 RFZ  3.27

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   81.5 RFZ  3.27

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.619   48.334  196.267 RF   81.5 RFZ  3.27

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   81.5 RFZ  3.26

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   81.4 RFZ  3.26

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   81.4 RFZ  3.25

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   81.3 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   81.3 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   81.3 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   81.3 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.203   35.142  161.594 RF   81.2 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   81.2 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   81.2 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   80.9 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  131.617   36.655  164.234 RF   80.7 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   80.7 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   80.7 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.087   47.928  196.726 RF   80.7 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.853   49.425  194.168 RF   80.6 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   80.6 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.844   29.075  162.258 RF   80.4 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   80.3 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   74.017   36.083  212.756 RF   80.2 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   80.2 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   80.1 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.649   35.266  161.001 RF   80.1 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.453   21.186  136.283 RF   79.9 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   79.9 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.771   36.460  172.722 RF   79.9 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   82.174   32.079  212.797 RF   79.9 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.561   28.504  159.572 RF   79.9 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.791   30.761  150.363 RF   79.8 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   38.861   16.401  156.062 RF   79.7 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.078   44.065  153.168 RF   79.7 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  139.502   30.142  154.811 RF   79.6 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.302   50.743  192.838 RF   79.6 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.732   40.369  165.315 RF   79.6 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.047   28.565  158.082 RF   79.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.388   40.196  156.612 RF   79.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.279   27.013  139.028 RF   79.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.614   52.183  186.085 RF   79.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.683   28.520  158.446 RF   79.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.227   45.283  158.453 RF   79.4 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   79.4 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.275   54.297  181.356 RF   79.3 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  147.239   28.399  136.646 RF   79.3 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   21.857   46.476  196.197 RF   79.3 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.791   32.132  146.853 RF   79.3 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.398   57.665  177.443 RF   79.2 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   12.483   21.810  155.358 RF   79.2 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   49.289   33.293  141.902 RF   79.2 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.262   28.939  129.773 RF   79.2 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   88.596   14.547  113.772 RF   79.1 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.306   29.978  154.977 RF   79.1 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  137.940   55.679  141.632 RF   79.1 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.743   34.377  143.791 RF   79.1 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   79.0 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.560   45.317  156.800 RF   79.0 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  210.850   39.450  164.662 RF   79.0 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  353.579   30.665  168.047 RF   78.9 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  108.160   30.031  138.942 RF   78.9 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.387   20.578  161.440 RF   78.9 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.105   29.162  138.969 RF   78.9 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  193.405   46.199  192.801 RF   78.9 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.581   30.297  164.048 RF   78.8 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   78.8 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.350   24.444   96.617 RF   78.8 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.303   26.896  133.601 RF   78.7 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.110   30.878  154.447 RF   78.7 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.257   30.048  168.017 RF   78.5 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.674   29.315  136.354 RF   78.5 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  214.423   56.768  173.963 RF   78.5 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.974   29.645  155.250 RF   78.5 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.474   32.698  151.429 RF   78.4 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.760   41.761  152.978 RF   78.4 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.182   36.981  179.693 RF   78.4 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.583   40.879  160.397 RF   78.4 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.526   31.131  133.953 RF   78.3 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.278   40.307  158.593 RF   78.2 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   14.334   23.518  135.651 RF   78.2 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  201.232   44.691  195.382 RF   78.2 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.308   53.759  154.829 RF   78.2 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.138   25.215  134.276 RF   78.1 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.765   26.601  136.983 RF   78.1 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  177.081   30.634  164.104 RF   78.1 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.768   30.768  159.195 RF   78.1 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.500   39.817  171.071 RF   78.1 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.705   28.038  181.965 RF   78.0 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.862   32.433  178.320 RF   78.0 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  261.465   30.958  211.704 RF   77.9 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.296   30.768  159.195 RF   77.9 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.828   31.579  154.758 RF   77.8 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.820   38.127  146.797 RF   77.8 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.460   21.314  150.409 RF   77.7 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.463   11.731  223.636 RF   77.7 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  212.936   41.167  203.145 RF   77.6 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  273.241   25.466  218.527 RF   77.6 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   25.214   19.891  151.386 RF   77.5 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  182.024   40.582  148.556 RF   77.5 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  233.342   30.768  159.195 RF   77.5 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  186.873   43.841  170.156 RF   77.5 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  218.966   34.600  185.712 RF   77.4 RFZ  2.84 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  249.985    7.323  233.307 RF   77.3 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.036   32.648  147.192 RF   77.3 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.724    9.032  130.621 RF   77.3 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  116.193   13.908   85.859 RF   77.3 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  251.757   23.300  178.313 RF   77.3 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.035   34.851  174.050 RF   77.2 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.335   58.354  154.199 RF   77.2 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  305.879   28.560   99.448 RF   77.1 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   26.727   22.173  134.486 RF   77.1 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.224   25.260  140.714 RF   77.1 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.414    5.368  211.612 RF   77.0 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.724   13.530   93.504 RF   77.0 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   17.831   18.414  140.969 RF   76.9 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.664   28.496  175.086 RF   76.9 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  120.330   37.137  144.780 RF   76.8 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.583   29.426  173.150 RF   76.8 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.762   31.367  167.872 RF   76.8 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.876   44.557  156.213 RF   76.8 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  301.686   18.210  172.997 RF   76.8 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.392   19.880  167.093 RF   76.7 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  323.822   26.217  181.423 RF   76.7 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  187.914   33.960  177.620 RF   76.7 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  237.787   44.836  165.264 RF   76.7 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  235.281   18.530  222.803 RF   76.5 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.483   42.272  158.790 RF   76.5 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.722   30.768  159.195 RF   76.4 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.749   32.036  139.851 RF   76.3 RFZ  2.73 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  167.554   53.753  165.358 RF   76.3 RFZ  2.73 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   78.454   33.718  128.610 RF   76.3 RFZ  2.73 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  107.121   15.923  103.954 RF   76.3 RFZ  2.72 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    2.250   24.787  138.003 RF   76.3 RFZ  2.72 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  109.395   40.969  157.891 RF   76.2 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  230.234   50.904  176.489 RF   76.2 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  306.520   14.352   74.543 RF   76.1 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.868   17.129  138.121 RF   76.1 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.488   35.661  216.142 RF   76.1 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.109   33.304  152.137 RF   76.1 RFZ  2.70 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  215.092   52.358  172.249 RF   76.1 RFZ  2.70 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   39.722   18.231  145.587 RF   76.0 RFZ  2.70 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.664   30.768  159.195 RF   76.0 RFZ  2.69 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.480   30.768  159.195 RF   75.9 RFZ  2.69 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  327.778   16.454  154.763 RF   75.9 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.021   47.206  198.816 RF   75.9 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.664   23.050  182.201 RF   75.9 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.095   20.634  108.809 RF   75.9 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  270.077   26.844  178.929 RF   75.8 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.592   42.873  152.005 RF   75.8 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  200.885   37.243  147.962 RF   75.8 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   18.341   30.410  143.145 RF   75.8 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  263.507   21.063  136.319 RF   75.8 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  100.219   21.636  148.565 RF   75.8 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.242   27.811  147.025 RF   75.8 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  171.632   44.458  159.325 RF   75.8 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.893   24.939  180.164 RF   75.6 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  199.461   39.034  167.248 RF   75.6 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   64.513   16.068  223.409 RF   75.6 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  180.647   53.219  173.617 RF   75.5 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.059   39.286  172.292 RF   75.5 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  278.572   30.768  159.195 RF   75.5 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  359.138   23.339  175.345 RF   75.5 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.443   43.194  171.864 RF   75.4 RFZ  2.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.299   19.821  136.813 RF   75.4 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   46.892   28.603  167.417 RF   75.4 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   21.642   36.352  153.484 RF   75.4 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.201   37.089  156.639 RF   75.4 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  109.534   18.020  110.510 RF   75.4 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.618   30.768  159.195 RF   75.3 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.820   37.772  178.440 RF   75.3 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.311   43.587  168.237 RF   75.3 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  205.995   55.362  156.266 RF   75.3 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  338.494   31.758  176.517 RF   75.3 RFZ  2.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  167.913   39.885  143.186 RF   75.2 RFZ  2.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  245.347   32.164  155.672 RF   75.2 RFZ  2.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    7.035   35.908  152.205 RF   75.1 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  312.617   35.970  173.606 RF   75.1 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.946   24.365  161.788 RF   75.1 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.129   11.878  183.406 RF   75.1 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.170   40.468  144.627 RF   75.1 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.930   43.233  153.410 RF   75.1 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  216.502   28.412  146.594 RF   75.1 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.049   35.847  175.245 RF   75.0 RFZ  2.59 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  325.907   37.435  156.554 RF   75.0 RFZ  2.59 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  283.334    5.776  208.816 RF   74.9 RFZ  2.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.968   41.276  171.853 RF   74.9 RFZ  2.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  334.249   37.540  157.424 RF   74.9 RFZ  2.58 # DEEP

   Scoring 741 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #2 of 8
   0%          100%
   |============| DONE

   Mean Score (Sigma):       38.98   (10.73)

   SET #2 of 8 TRIAL #67 of 247 (TRIAL #1 of 181 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 232.62  37.51 171.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.694  0.685  0.430     93.496  5.28
   2      0.194  0.185  0.430     93.496  5.28
   3      0.694  0.162  0.288     92.059  5.04
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #67 of 247 (TRIAL #1 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.694  0.685  0.430     87.451  5.28   0.0      2     93.496/    93.496
   2      0.694  0.162  0.288     79.872  5.04  14.5      2     92.059/    92.059

   SET #2 of 8 TRIAL #68 of 247 (TRIAL #2 of 181 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 221.27  34.97 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.322  0.665  0.529     94.577  5.03
   2      0.822  0.165  0.529     94.577  5.03

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #68 of 247 (TRIAL #2 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.322  0.665  0.529     84.648  5.03   0.0      2     94.577/    94.577

   SET #2 of 8 TRIAL #69 of 247 (TRIAL #3 of 181 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 165.48  35.57 167.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.688  0.777  0.518     96.638  5.25
   2      0.188  0.277  0.518     96.638  5.25
   3      0.684  0.774  0.512     95.619  5.08
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #69 of 247 (TRIAL #3 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.688  0.777  0.518     91.605  5.25   0.0      4     96.638/    96.638

   SET #2 of 8 TRIAL #70 of 247 (TRIAL #4 of 181 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler  42.56  32.81 151.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.551  0.707  0.406     95.477  4.70
   2      0.051  0.207  0.406     95.477  4.70
   3      0.549  0.169  0.406     93.712  4.41
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #70 of 247 (TRIAL #4 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.549  0.169  0.406     69.396  4.41   0.0      2     93.712/    93.712
   2      0.051  0.207  0.406     67.052  4.70  30.6      2     95.477/    95.477

   SET #2 of 8 TRIAL #71 of 247 (TRIAL #5 of 181 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 204.20  35.14 161.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #72 of 247 (TRIAL #6 of 181 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler  27.07  27.83 147.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.369  0.585  0.520     98.284  5.64
   2      0.869  0.085  0.520     98.284  5.64
   3      0.846  0.241  0.464     92.788  4.74
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #72 of 247 (TRIAL #6 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.869  0.085  0.520     76.737  5.64   0.0      2     98.284/    98.284
   2      0.901  0.217  0.583     71.880  4.72   4.4      2     92.672/    92.672

   SET #2 of 8 TRIAL #73 of 247 (TRIAL #7 of 181 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 174.84  35.22 168.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.687  0.746  0.520     98.793  5.73
   2      0.187  0.246  0.520     98.793  5.73
   3      0.684  0.745  0.516     95.839  5.24
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #73 of 247 (TRIAL #7 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.687  0.746  0.520     96.919  5.73   0.0      4     98.793/    98.793

   SET #2 of 8 TRIAL #74 of 247 (TRIAL #8 of 181 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 248.54  40.68 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #75 of 247 (TRIAL #9 of 181 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 131.62  36.65 164.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #76 of 247 (TRIAL #10 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 163.57  39.98 158.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #77 of 247 (TRIAL #11 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 155.42  39.96 157.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #78 of 247 (TRIAL #12 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  63.09  47.93 196.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #79 of 247 (TRIAL #13 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  55.85  49.43 194.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #80 of 247 (TRIAL #14 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  10.94  21.02 165.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #81 of 247 (TRIAL #15 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 266.84  29.07 162.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.747  0.034  0.425     99.510  5.49
   2      0.247  0.534  0.425     99.510  5.49
   3      0.297  0.568  0.541     95.529  4.86
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #81 of 247 (TRIAL #15 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.247  0.534  0.425     82.859  5.49   0.0      2     99.510/    99.510
   2      0.797  0.068  0.541     76.312  4.86  12.5      2     95.529/    95.529
   3      0.818  0.490  0.981     74.821  4.67  22.3      2     94.342/    94.342

   SET #2 of 8 TRIAL #82 of 247 (TRIAL #16 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 260.28  37.31 170.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #83 of 247 (TRIAL #17 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  74.02  36.08 212.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #84 of 247 (TRIAL #18 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  60.80  26.59 129.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #85 of 247 (TRIAL #19 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 352.12  21.60 169.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #86 of 247 (TRIAL #20 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 195.65  35.27 161.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.691  0.274  0.390     92.333  4.88
   2      0.191  0.774  0.390     92.333  4.88

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #86 of 247 (TRIAL #20 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.191  0.774  0.390     70.847  4.88   0.0      2     92.333/    92.333

   SET #2 of 8 TRIAL #87 of 247 (TRIAL #21 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  84.45  21.19 136.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #88 of 247 (TRIAL #22 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 207.91  27.89 176.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.248  0.051  0.672     94.254  5.30
   2      0.748  0.551  0.672     94.254  5.30
   3      0.243  0.052  0.665     94.242  5.29
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #88 of 247 (TRIAL #22 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.743  0.552  0.665     92.702  5.29   0.0      4     94.242/    94.254
   2      0.603  0.972  0.310     79.735  5.02  20.0      2     92.677/    92.677

   SET #2 of 8 TRIAL #89 of 247 (TRIAL #23 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 276.77  36.46 172.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #90 of 247 (TRIAL #24 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  82.17  32.08 212.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #91 of 247 (TRIAL #25 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 341.56  28.50 159.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.359  0.660  0.568     93.157  4.72
   2      0.859  0.160  0.568     93.157  4.72

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #91 of 247 (TRIAL #25 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.859  0.160  0.568     74.165  4.72   0.0      2     93.157/    93.157

   SET #2 of 8 TRIAL #92 of 247 (TRIAL #26 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 170.79  30.76 150.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.459  0.552  0.445     97.140  5.08
   2      0.959  0.052  0.445     97.140  5.08
   3      0.262  0.418  0.944     95.623  4.84
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #92 of 247 (TRIAL #26 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.762  0.918  0.944     76.392  4.84   0.0      2     95.623/    95.623
   2      0.959  0.052  0.445     76.116  5.08  24.6      2     97.140/    97.140
   3      0.764  0.491  0.944     71.691  4.42  10.2      2     93.039/    93.039

   SET #2 of 8 TRIAL #93 of 247 (TRIAL #27 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  38.86  16.40 156.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #94 of 247 (TRIAL #28 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 140.08  44.06 153.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #95 of 247 (TRIAL #29 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 139.50  30.14 154.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.705  0.533  0.377     100.76  5.46
   2      0.205  0.033  0.377     100.76  5.46
   3      0.471  0.888  0.435      96.17  4.75
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #95 of 247 (TRIAL #29 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.471  0.888  0.435     74.409  4.75   0.0      4     96.166/    96.166
   2      0.705  0.533  0.377     72.860  5.46  25.6      4    100.761/   100.761
   3      0.975  0.095  0.433     72.752  4.45  42.7      2     94.182/    94.182
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #96 of 247 (TRIAL #30 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 194.30  50.74 192.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #97 of 247 (TRIAL #31 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 264.73  40.37 165.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #98 of 247 (TRIAL #32 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  19.05  28.56 158.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.392  0.781  0.466     96.335  5.24
   2      0.892  0.281  0.466     96.335  5.24
   3      0.386  0.779  0.457     92.675  4.67
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #98 of 247 (TRIAL #32 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.392  0.781  0.466     76.205  5.24   0.0      4     96.335/    96.335

   SET #2 of 8 TRIAL #99 of 247 (TRIAL #33 of 181 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 183.39  40.20 156.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #100 of 247 (TRIAL #34 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  31.28  27.01 139.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #101 of 247 (TRIAL #35 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 232.61  52.18 186.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #102 of 247 (TRIAL #36 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler   9.68  28.52 158.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.393  0.748  0.465     94.384  4.89
   2      0.893  0.248  0.465     94.384  4.89

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #102 of 247 (TRIAL #36 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.393  0.748  0.465     73.982  4.89   0.0      2     94.384/    94.384

   SET #2 of 8 TRIAL #103 of 247 (TRIAL #37 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 206.23  45.28 158.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #104 of 247 (TRIAL #38 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  34.98  58.45 174.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.572  0.093  0.923     92.091  5.43
   2      0.072  0.593  0.923     92.091  5.43
   3      0.574  0.093  0.927     91.889  5.40
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #104 of 247 (TRIAL #38 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.072  0.593  0.923     90.531  5.43   0.0      4     92.091/    92.091

   SET #2 of 8 TRIAL #105 of 247 (TRIAL #39 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 227.28  54.30 181.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #106 of 247 (TRIAL #40 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 147.24  28.40 136.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #107 of 247 (TRIAL #41 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  21.86  46.48 196.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.301  0.974  0.057     92.201  5.56
   2      0.801  0.474  0.057     92.201  5.56

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #107 of 247 (TRIAL #41 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.801  0.474  0.057     92.217  5.56   0.0      2     92.201/    92.201

   SET #2 of 8 TRIAL #108 of 247 (TRIAL #42 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 194.79  32.13 146.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.252  0.368  0.949     94.927  4.90
   2      0.752  0.868  0.949     94.927  4.90
   3      0.252  0.939  0.950     94.593  4.85
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #108 of 247 (TRIAL #42 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.752  0.439  0.950     73.563  4.85   0.0      2     94.593/    94.593
   2      0.252  0.368  0.949     73.029  4.90  46.1      2     94.927/    94.927
   3      0.217  0.943  0.518     72.018  4.59  33.8      4     93.051/    93.541

   SET #2 of 8 TRIAL #109 of 247 (TRIAL #43 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  42.40  57.67 177.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #110 of 247 (TRIAL #44 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  12.48  21.81 155.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #111 of 247 (TRIAL #45 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  49.29  33.29 141.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #112 of 247 (TRIAL #46 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  79.26  28.94 129.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #113 of 247 (TRIAL #47 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  88.60  14.55 113.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #114 of 247 (TRIAL #48 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 130.31  29.98 154.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.715  0.547  0.376     100.32  5.54
   2      0.215  0.047  0.376     100.32  5.54
   3      0.480  0.898  0.433      95.39  4.79
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #114 of 247 (TRIAL #48 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.292  0.887  0.551     74.121  4.49   0.0      2     93.464/    93.464
   2      0.980  0.398  0.433     72.716  4.79  27.3      2     95.389/    95.389
   3      0.215  0.047  0.376     71.440  5.54   9.3      4    100.316/   100.316
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #115 of 247 (TRIAL #49 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 137.94  55.68 141.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #116 of 247 (TRIAL #50 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  37.74  34.38 143.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #117 of 247 (TRIAL #51 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 224.30  30.75 179.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #118 of 247 (TRIAL #52 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 197.56  45.32 156.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #119 of 247 (TRIAL #53 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 210.85  39.45 164.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #120 of 247 (TRIAL #54 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 353.58  30.67 168.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.488  0.344  0.276     93.784  4.77
   2      0.988  0.844  0.276     93.784  4.77
   3      0.489  0.420  0.276     93.520  4.72
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #120 of 247 (TRIAL #54 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.988  0.844  0.276     70.089  4.77   0.0      2     93.784/    93.784
   2      0.489  0.420  0.276     69.025  4.72  35.8      2     93.520/    93.520

   SET #2 of 8 TRIAL #121 of 247 (TRIAL #55 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 108.16  30.03 138.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #122 of 247 (TRIAL #56 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 285.39  20.58 161.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #123 of 247 (TRIAL #57 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  99.11  29.16 138.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #124 of 247 (TRIAL #58 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 193.41  46.20 192.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #125 of 247 (TRIAL #59 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 192.58  30.30 164.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.670  0.732  0.531     96.493  5.23
   2      0.170  0.232  0.531     96.493  5.23

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #125 of 247 (TRIAL #59 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.670  0.732  0.531     86.084  5.23   0.0      2     96.493/    96.493

   SET #2 of 8 TRIAL #126 of 247 (TRIAL #60 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 207.45  29.35 167.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.229  0.148  0.651     100.60  6.18
   2      0.729  0.648  0.651     100.60  6.18
   3      0.679  0.626  0.536      95.45  5.32
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #126 of 247 (TRIAL #60 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.729  0.648  0.651     95.572  6.18   0.0      2     100.60/    100.60
   2      0.179  0.126  0.536     84.403  5.32  21.7      2      95.45/     95.45

   SET #2 of 8 TRIAL #127 of 247 (TRIAL #61 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 300.35  24.44  96.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.581  0.899  0.061     92.302  5.41
   2      0.081  0.399  0.061     92.302  5.41

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #127 of 247 (TRIAL #61 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.081  0.399  0.061     92.236  5.41   0.0      2     92.302/    92.302

   SET #2 of 8 TRIAL #128 of 247 (TRIAL #62 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  47.30  26.90 133.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #129 of 247 (TRIAL #63 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 176.11  30.88 154.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #130 of 247 (TRIAL #64 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler   9.26  30.05 168.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.393  0.307  0.010     93.075  4.59
   2      0.893  0.807  0.010     93.075  4.59

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #130 of 247 (TRIAL #64 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.393  0.307  0.010     74.024  4.59   0.0      2     93.075/    93.075

   SET #2 of 8 TRIAL #131 of 247 (TRIAL #65 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 156.67  29.32 136.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #132 of 247 (TRIAL #66 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 214.42  56.77 173.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #133 of 247 (TRIAL #67 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 111.97  29.65 155.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.736  0.551  0.375     94.164  4.69
   2      0.236  0.051  0.375     94.164  4.69
   3      0.313  0.060  0.600     94.105  4.68
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #133 of 247 (TRIAL #67 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.313  0.060  0.600     74.829  4.68   0.0      2     94.105/    94.105
   2      0.783  0.530  0.485     73.392  4.62  13.1      2     93.711/    93.711
   3      0.736  0.551  0.375     71.693  4.69  13.0      4     94.164/    94.164
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #134 of 247 (TRIAL #68 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 221.47  32.70 151.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.668  0.302  0.407     93.054  4.88
   2      0.168  0.802  0.407     93.054  4.88

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #134 of 247 (TRIAL #68 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.668  0.302  0.407     70.665  4.88   0.0      2     93.054/    93.054

   SET #2 of 8 TRIAL #135 of 247 (TRIAL #69 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 209.76  41.76 152.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #136 of 247 (TRIAL #70 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 206.18  36.98 179.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #137 of 247 (TRIAL #71 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 125.58  40.88 160.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #138 of 247 (TRIAL #72 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  84.53  31.13 133.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #139 of 247 (TRIAL #73 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 197.28  40.31 158.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #140 of 247 (TRIAL #74 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  14.33  23.52 135.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #141 of 247 (TRIAL #75 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 201.23  44.69 195.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #142 of 247 (TRIAL #76 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 156.31  53.76 154.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #143 of 247 (TRIAL #77 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  31.14  25.21 134.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #144 of 247 (TRIAL #78 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 128.76  26.60 136.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #145 of 247 (TRIAL #79 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 177.08  30.63 164.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.669  0.801  0.529     93.009  4.68
   2      0.169  0.301  0.529     93.009  4.68

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #145 of 247 (TRIAL #79 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.669  0.801  0.529     80.900  4.68   0.0      2     93.009/    93.009

   SET #2 of 8 TRIAL #146 of 247 (TRIAL #80 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 153.77  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.225  0.932  0.504     93.145  4.56
   2      0.725  0.432  0.504     93.145  4.56
   3      0.691  0.433  0.387     93.137  4.56
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #146 of 247 (TRIAL #80 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.161  0.783  0.322     72.133  4.52   0.0      2     92.889/    92.889
   2      0.725  0.432  0.504     66.507  4.56  12.3      2     93.145/    93.145

   SET #2 of 8 TRIAL #147 of 247 (TRIAL #81 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 174.50  39.82 171.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.708  0.702  0.519     93.788  5.98
   2      0.208  0.202  0.519     93.788  5.98

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #147 of 247 (TRIAL #81 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.208  0.202  0.519     90.725  5.98   0.0      2     93.788/    93.788

   SET #2 of 8 TRIAL #148 of 247 (TRIAL #82 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 304.70  28.04 181.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #149 of 247 (TRIAL #83 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 206.86  32.43 178.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #150 of 247 (TRIAL #84 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 261.47  30.96 211.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #151 of 247 (TRIAL #85 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 224.30  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.219  0.127  0.850     92.383  4.68
   2      0.719  0.627  0.850     92.383  4.68

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #151 of 247 (TRIAL #85 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.719  0.627  0.850     64.457  4.68   0.0      2     92.383/    92.383

   SET #2 of 8 TRIAL #152 of 247 (TRIAL #86 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 209.83  31.58 154.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #153 of 247 (TRIAL #87 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 136.82  38.13 146.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #154 of 247 (TRIAL #88 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  89.46  21.31 150.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #155 of 247 (TRIAL #89 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  72.46  11.73 223.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #156 of 247 (TRIAL #90 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 212.94  41.17 203.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #157 of 247 (TRIAL #91 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 273.24  25.47 218.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #158 of 247 (TRIAL #92 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  25.21  19.89 151.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #159 of 247 (TRIAL #93 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 182.02  40.58 148.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #160 of 247 (TRIAL #94 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 233.34  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.224  0.100  0.851     93.057  4.76
   2      0.724  0.600  0.851     93.057  4.76
   3      0.232  0.651  0.523     92.439  4.66
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #160 of 247 (TRIAL #94 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.732  0.151  0.523     69.582  4.66   0.0      2     92.439/    92.439
   2      0.724  0.600  0.851     65.653  4.76  23.8      2     93.057/    93.057

   SET #2 of 8 TRIAL #161 of 247 (TRIAL #95 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 186.87  43.84 170.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #162 of 247 (TRIAL #96 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 218.97  34.60 185.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #163 of 247 (TRIAL #97 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 249.99   7.32 233.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #164 of 247 (TRIAL #98 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 204.04  32.65 147.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.219  0.902  0.519     93.609  5.08
   2      0.719  0.402  0.519     93.609  5.08

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #164 of 247 (TRIAL #98 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.719  0.402  0.519     67.541  5.08   0.0      2     93.609/    93.609

   SET #2 of 8 TRIAL #165 of 247 (TRIAL #99 of 181 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  63.72   9.03 130.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #166 of 247 (TRIAL #100 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 116.19  13.91  85.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #167 of 247 (TRIAL #101 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 251.76  23.30 178.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #168 of 247 (TRIAL #102 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 179.04  34.85 174.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #169 of 247 (TRIAL #103 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 156.33  58.35 154.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #170 of 247 (TRIAL #104 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 305.88  28.56  99.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #171 of 247 (TRIAL #105 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  26.73  22.17 134.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #172 of 247 (TRIAL #106 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  52.22  25.26 140.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #173 of 247 (TRIAL #107 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 101.41   5.37 211.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #174 of 247 (TRIAL #108 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 287.72  13.53  93.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #175 of 247 (TRIAL #109 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  17.83  18.41 140.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #176 of 247 (TRIAL #110 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 350.66  28.50 175.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.830  0.208  0.307     93.430  5.58
   2      0.330  0.708  0.307     93.430  5.58

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #176 of 247 (TRIAL #110 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.330  0.708  0.307     90.934  5.58   0.0      2     93.430/    93.430

   SET #2 of 8 TRIAL #177 of 247 (TRIAL #111 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 120.33  37.14 144.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #178 of 247 (TRIAL #112 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 192.58  29.43 173.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.227  0.138  0.653     94.585  5.74
   2      0.727  0.638  0.653     94.585  5.74
   3      0.227  0.137  0.653     94.110  5.66
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #178 of 247 (TRIAL #112 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.727  0.637  0.653     91.048  5.66   0.0      4     94.110/    94.585

   SET #2 of 8 TRIAL #179 of 247 (TRIAL #113 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 155.76  31.37 167.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #180 of 247 (TRIAL #114 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 155.88  44.56 156.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #181 of 247 (TRIAL #115 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 301.69  18.21 173.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #182 of 247 (TRIAL #116 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 316.39  19.88 167.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #183 of 247 (TRIAL #117 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 323.82  26.22 181.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #184 of 247 (TRIAL #118 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 187.91  33.96 177.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #185 of 247 (TRIAL #119 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 237.79  44.84 165.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #186 of 247 (TRIAL #120 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 235.28  18.53 222.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #187 of 247 (TRIAL #121 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 242.48  42.27 158.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #188 of 247 (TRIAL #122 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 144.72  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.691  0.458  0.376     95.459  5.18
   2      0.191  0.958  0.376     95.459  5.18
   3      0.668  0.306  0.321     92.479  4.73
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #188 of 247 (TRIAL #122 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.668  0.306  0.321     70.328  4.73   0.0      2     92.479/    92.479
   2      0.191  0.958  0.376     67.981  5.18  16.9      2     95.459/    95.459

   SET #2 of 8 TRIAL #189 of 247 (TRIAL #123 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 239.75  32.04 139.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.539  0.152  0.318     95.650  4.52
   2      0.039  0.652  0.318     95.650  4.52
   3      0.253  0.280  0.753     95.493  4.49
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #189 of 247 (TRIAL #123 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.539  0.152  0.318     71.376  4.52   0.0      4     95.650/    95.650
   2      0.753  0.780  0.753     67.961  4.49  23.0      2     95.493/    95.493
   3      0.805  0.273  0.868     63.630  4.47  26.0      2     95.378/    95.378

   SET #2 of 8 TRIAL #190 of 247 (TRIAL #124 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 167.55  53.75 165.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #191 of 247 (TRIAL #125 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  78.45  33.72 128.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #192 of 247 (TRIAL #126 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 107.12  15.92 103.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #193 of 247 (TRIAL #127 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler   2.25  24.79 138.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #194 of 247 (TRIAL #128 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 109.40  40.97 157.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #195 of 247 (TRIAL #129 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 230.23  50.90 176.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #196 of 247 (TRIAL #130 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 306.52  14.35  74.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #197 of 247 (TRIAL #131 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  55.87  17.13 138.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #198 of 247 (TRIAL #132 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  81.49  35.66 216.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #199 of 247 (TRIAL #133 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 239.11  33.30 152.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.691  0.238  0.406     92.284  5.04
   2      0.191  0.738  0.406     92.284  5.04
   3      0.637  0.240  0.286     91.909  4.98
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #199 of 247 (TRIAL #133 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.637  0.240  0.286     71.911  4.98   0.0      2     91.909/    91.909
   2      0.191  0.738  0.406     67.781  5.04  19.3      2     92.284/    92.284

   SET #2 of 8 TRIAL #200 of 247 (TRIAL #134 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 215.09  52.36 172.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #201 of 247 (TRIAL #135 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  39.72  18.23 145.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #202 of 247 (TRIAL #136 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 296.66  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.770  0.044  0.430     94.670  5.07
   2      0.270  0.544  0.430     94.670  5.07
   3      0.302  0.559  0.541     93.469  4.88
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #202 of 247 (TRIAL #136 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.770  0.635  0.313     78.362  4.71   0.0      2     92.319/    92.319
   2      0.754  0.065  0.437     69.853  4.74  13.5      2     92.521/    92.521

   SET #2 of 8 TRIAL #203 of 247 (TRIAL #137 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 260.48  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.731  0.069  0.420     95.928  5.55
   2      0.231  0.569  0.420     95.928  5.55

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #203 of 247 (TRIAL #137 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.231  0.569  0.420     74.674  5.55   0.0      2     95.928/    95.928

   SET #2 of 8 TRIAL #204 of 247 (TRIAL #138 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 327.78  16.45 154.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #205 of 247 (TRIAL #139 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  30.02  47.21 198.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #206 of 247 (TRIAL #140 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 332.66  23.05 182.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #207 of 247 (TRIAL #141 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 101.10  20.63 108.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #208 of 247 (TRIAL #142 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 270.08  26.84 178.93 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #209 of 247 (TRIAL #143 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 219.59  42.87 152.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #210 of 247 (TRIAL #144 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 200.88  37.24 147.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #211 of 247 (TRIAL #145 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  18.34  30.41 143.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #212 of 247 (TRIAL #146 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 263.51  21.06 136.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.543  0.860  0.897     95.103  4.43
   2      0.043  0.360  0.897     95.103  4.43
   3      0.235  0.037  0.837     94.355  4.30
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #212 of 247 (TRIAL #146 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.043  0.360  0.897     75.603  4.43   0.0      2     95.103/    95.103
   2      0.594  0.886  0.010     70.694  4.26  32.1      2     94.114/    94.114

   SET #2 of 8 TRIAL #213 of 247 (TRIAL #147 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 100.22  21.64 148.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #214 of 247 (TRIAL #148 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 206.24  27.81 147.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #215 of 247 (TRIAL #149 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 171.63  44.46 159.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #216 of 247 (TRIAL #150 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 231.89  24.94 180.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #217 of 247 (TRIAL #151 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 199.46  39.03 167.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #218 of 247 (TRIAL #152 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  64.51  16.07 223.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #219 of 247 (TRIAL #153 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 180.65  53.22 173.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #220 of 247 (TRIAL #154 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 183.06  39.29 172.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #221 of 247 (TRIAL #155 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 278.57  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.751  0.053  0.426     96.073  5.42
   2      0.251  0.553  0.426     96.073  5.42

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #221 of 247 (TRIAL #155 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.251  0.553  0.426     74.814  5.42   0.0      2     96.073/    96.073

   SET #2 of 8 TRIAL #222 of 247 (TRIAL #156 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 359.14  23.34 175.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #223 of 247 (TRIAL #157 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 195.44  43.19 171.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #224 of 247 (TRIAL #158 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  37.30  19.82 136.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #225 of 247 (TRIAL #159 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  46.89  28.60 167.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #226 of 247 (TRIAL #160 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  21.64  36.35 153.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #227 of 247 (TRIAL #161 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  56.20  37.09 156.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.519  0.342  0.400     93.836  4.99
   2      0.019  0.842  0.400     93.836  4.99
   3      0.518  0.194  0.400     93.412  4.92
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #227 of 247 (TRIAL #161 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.723  0.154  0.289     71.361  4.83   0.0      2     92.862/    92.862
   2      0.018  0.694  0.400     67.561  4.92  21.8      2     93.412/    93.412

   SET #2 of 8 TRIAL #228 of 247 (TRIAL #162 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 109.53  18.02 110.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #229 of 247 (TRIAL #163 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 287.62  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.760  0.045  0.429     95.422  5.31
   2      0.260  0.545  0.429     95.422  5.31

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #229 of 247 (TRIAL #163 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.760  0.045  0.429     72.503  5.31   0.0      2     95.422/    95.422

   SET #2 of 8 TRIAL #230 of 247 (TRIAL #164 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 197.82  37.77 178.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #231 of 247 (TRIAL #165 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 217.31  43.59 168.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #232 of 247 (TRIAL #166 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 206.00  55.36 156.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #233 of 247 (TRIAL #167 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 338.49  31.76 176.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #234 of 247 (TRIAL #168 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 167.91  39.89 143.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #235 of 247 (TRIAL #169 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 245.35  32.16 155.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.288  0.613  0.140     93.290  5.23
   2      0.788  0.113  0.140     93.290  5.23
   3      0.702  0.153  0.408     91.324  4.92
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #235 of 247 (TRIAL #169 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.788  0.113  0.140     71.843  5.23   0.0      2     93.290/    93.290
   2      0.702  0.153  0.408     66.060  4.92  23.0      2     91.324/    91.324

   SET #2 of 8 TRIAL #236 of 247 (TRIAL #170 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler   7.04  35.91 152.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #237 of 247 (TRIAL #171 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 312.62  35.97 173.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #238 of 247 (TRIAL #172 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 239.95  24.37 161.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #239 of 247 (TRIAL #173 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 300.13  11.88 183.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #240 of 247 (TRIAL #174 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 176.17  40.47 144.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #241 of 247 (TRIAL #175 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 227.93  43.23 153.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #242 of 247 (TRIAL #176 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 216.50  28.41 146.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #243 of 247 (TRIAL #177 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 238.05  35.85 175.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #244 of 247 (TRIAL #178 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 325.91  37.44 156.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.746  0.172  0.433     97.087  5.27
   2      0.246  0.672  0.433     97.087  5.27
   3      0.349  0.132  0.374     96.317  5.15
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #244 of 247 (TRIAL #178 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.246  0.672  0.433     62.600  5.27   0.0      2     97.087/    97.087
   2      0.708  0.168  0.313     61.582  4.57  18.2      2     92.649/    92.649
   3      0.349  0.132  0.374     57.850  5.15  16.5      2     96.317/    96.317
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 8 TRIAL #245 of 247 (TRIAL #179 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 283.33   5.78 208.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #246 of 247 (TRIAL #180 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 153.97  41.28 171.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 8 TRIAL #247 of 247 (TRIAL #181 of 181 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 334.25  37.54 157.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.752  0.188  0.433     94.774  4.82
   2      0.252  0.688  0.433     94.774  4.82
   3      0.714  0.182  0.312     94.115  4.71
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #2 of 8 TRIAL #247 of 247 (TRIAL #181 of 181 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.214  0.682  0.312     63.774  4.71   0.0      2     94.115/    94.115


---------------------------------
DEEP TRANSLATION FUNCTION #3 OF 8
---------------------------------

   161 trial orientations in deep search


   SOLU SET  RFZ=4.6 TFZ=3.6 PAK=0 LLG=59
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  273.2   35.5  137.9 FRAC -0.12  0.04 -0.40 BFAC -8.74
   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   88.2 RFZ  4.17

   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   87.5 RFZ  4.09

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   86.6 RFZ  3.99

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.535   25.925  148.923 RF   86.3 RFZ  3.97

   SOLU TRIAL ENSEMBLE helix_pdb EULER   51.869   24.857  151.761 RF   86.1 RFZ  3.94

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.424   24.033  161.846 RF   85.7 RFZ  3.90

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   85.6 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   85.4 RFZ  3.86

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   85.2 RFZ  3.84

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   85.1 RFZ  3.84

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   85.0 RFZ  3.83

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   85.0 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   84.7 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   84.7 RFZ  3.79

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   84.7 RFZ  3.79

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   84.5 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   84.5 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.201   26.601  163.128 RF   84.5 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   84.4 RFZ  3.76

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   84.3 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   84.2 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   84.0 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   84.0 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   84.0 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   83.9 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   83.9 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   83.8 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   83.8 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   83.8 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   83.8 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   83.7 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   83.6 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   83.5 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   83.4 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   83.3 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   83.3 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   83.1 RFZ  3.61

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   83.0 RFZ  3.61

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   82.8 RFZ  3.59

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   82.8 RFZ  3.59

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   82.7 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   82.7 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   82.5 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   82.5 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   82.4 RFZ  3.54

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   82.3 RFZ  3.53

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   82.2 RFZ  3.52

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   82.0 RFZ  3.50

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   81.9 RFZ  3.49

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   81.9 RFZ  3.49

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   81.9 RFZ  3.49

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   81.9 RFZ  3.49

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   81.6 RFZ  3.46

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   81.5 RFZ  3.45

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   81.5 RFZ  3.44

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   81.2 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   81.2 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   81.2 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   81.1 RFZ  3.40 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   81.0 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   81.0 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   81.0 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   80.7 RFZ  3.36 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   80.7 RFZ  3.36 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   80.6 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   80.6 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   80.6 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   80.5 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   80.4 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   80.3 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   29.925   26.470  156.022 RF   80.3 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   80.3 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   80.2 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   80.1 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   80.0 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   74.017   36.083  212.756 RF   80.0 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.387   20.578  161.440 RF   80.0 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   79.9 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   79.9 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   79.8 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   79.7 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  131.617   36.655  164.234 RF   79.7 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.771   36.460  172.722 RF   79.4 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.279   27.013  139.028 RF   79.4 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.844   29.075  162.258 RF   79.4 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.619   48.334  196.267 RF   79.4 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.203   35.142  161.594 RF   79.3 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.388   40.196  156.612 RF   79.2 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   79.2 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  147.239   28.399  136.646 RF   79.2 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   79.2 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.853   49.425  194.168 RF   79.1 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.561   28.504  159.572 RF   79.0 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.732   40.369  165.315 RF   79.0 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.581   30.297  164.048 RF   79.0 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.087   47.928  196.726 RF   78.9 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.649   35.266  161.001 RF   78.9 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.262   28.939  129.773 RF   78.9 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.791   32.132  146.853 RF   78.8 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.674   29.315  136.354 RF   78.8 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   82.174   32.079  212.797 RF   78.7 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   12.483   21.810  155.358 RF   78.6 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.047   28.565  158.082 RF   78.6 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.131   39.299  209.416 RF   78.6 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   21.857   46.476  196.197 RF   78.6 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  108.160   30.031  138.942 RF   78.6 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.398   57.665  177.443 RF   78.5 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.105   29.162  138.969 RF   78.5 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   78.4 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.705   28.038  181.965 RF   78.4 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.526   31.131  133.953 RF   78.3 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   88.596   14.547  113.772 RF   78.3 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.683   28.520  158.446 RF   78.3 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.760   41.761  152.978 RF   78.3 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.791   30.761  150.363 RF   78.3 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  353.579   30.665  168.047 RF   78.2 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.182   36.981  179.693 RF   78.2 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.302   50.743  192.838 RF   78.2 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  177.081   30.634  164.104 RF   78.2 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.257   30.048  168.017 RF   78.2 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.583   40.879  160.397 RF   78.2 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.765   26.601  136.983 RF   78.1 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  214.423   56.768  173.963 RF   78.1 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.453   21.186  136.283 RF   78.1 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.303   26.896  133.601 RF   78.1 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   93.410   30.408  100.003 RF   78.0 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.862   32.433  178.320 RF   78.0 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   49.289   33.293  141.902 RF   77.9 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.474   32.698  151.429 RF   77.9 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.828   31.579  154.758 RF   77.9 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  210.850   39.450  164.662 RF   77.8 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  182.024   40.582  148.556 RF   77.8 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.560   45.317  156.800 RF   77.8 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  139.502   30.142  154.811 RF   77.8 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.078   44.065  153.168 RF   77.7 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   38.861   16.401  156.062 RF   77.7 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   43.782   37.374  212.340 RF   77.7 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.743   34.377  143.791 RF   77.6 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.278   40.307  158.593 RF   77.5 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  251.757   23.300  178.313 RF   77.5 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.306   29.978  154.977 RF   77.4 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   14.334   23.518  135.651 RF   77.4 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.296   30.768  159.195 RF   77.4 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.724   13.530   93.504 RF   77.3 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.227   45.283  158.453 RF   77.3 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.460   21.314  150.409 RF   77.2 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  233.342   30.768  159.195 RF   77.2 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.275   54.297  181.356 RF   77.1 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.350   24.444   96.617 RF   77.1 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  218.966   34.600  185.712 RF   77.0 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.110   30.878  154.447 RF   76.9 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.974   29.645  155.250 RF   76.9 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.036   32.648  147.192 RF   76.9 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.483   42.272  158.790 RF   76.8 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.463   11.731  223.636 RF   76.8 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.308   53.759  154.829 RF   76.7 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.768   30.768  159.195 RF   76.7 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  186.873   43.841  170.156 RF   76.7 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.500   39.817  171.071 RF   76.7 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.035   34.851  174.050 RF   76.6 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.299   19.821  136.813 RF   76.6 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  212.936   41.167  203.145 RF   76.6 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  216.799   39.583  208.823 RF   76.6 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   17.831   18.414  140.969 RF   76.5 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   25.214   19.891  151.386 RF   76.5 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  273.241   25.466  218.527 RF   76.5 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.664   30.768  159.195 RF   76.5 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  323.822   26.217  181.423 RF   76.4 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.414    5.368  211.612 RF   76.3 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  120.330   37.137  144.780 RF   76.3 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  306.520   14.352   74.543 RF   76.3 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.820   38.127  146.797 RF   76.3 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  109.395   40.969  157.891 RF   76.2 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.224   25.260  140.714 RF   76.2 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.762   31.367  167.872 RF   76.2 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  116.193   13.908   85.859 RF   76.1 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.138   25.215  134.276 RF   76.1 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.618   30.768  159.195 RF   76.0 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  201.232   44.691  195.382 RF   75.9 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.664   28.496  175.086 RF   75.9 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.335   58.354  154.199 RF   75.9 RFZ  2.84 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   26.727   22.173  134.486 RF   75.9 RFZ  2.84 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  187.914   33.960  177.620 RF   75.9 RFZ  2.84 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  100.219   21.636  148.565 RF   75.8 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  167.554   53.753  165.358 RF   75.7 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  278.572   30.768  159.195 RF   75.7 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   39.722   18.231  145.587 RF   75.6 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    2.250   24.787  138.003 RF   75.6 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  344.179    5.412  189.431 RF   75.5 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.170   40.468  144.627 RF   75.5 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.583   29.426  173.150 RF   75.5 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.095   20.634  108.809 RF   75.5 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.392   19.880  167.093 RF   75.5 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.749   32.036  139.851 RF   75.4 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  338.494   31.758  176.517 RF   75.4 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.893   24.939  180.164 RF   75.3 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.480   30.768  159.195 RF   75.3 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  309.155   23.841  175.706 RF   75.3 RFZ  2.78 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  305.879   28.560   99.448 RF   75.3 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  270.077   26.844  178.929 RF   75.3 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.443   43.194  171.864 RF   75.3 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  167.913   39.885  143.186 RF   75.2 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  171.632   44.458  159.325 RF   75.2 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  359.138   23.339  175.345 RF   75.2 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  261.465   30.958  211.704 RF   75.1 RFZ  2.76 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  215.092   52.358  172.249 RF   75.1 RFZ  2.76 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  175.847   53.623  167.751 RF   75.1 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.021   47.206  198.816 RF   75.0 RFZ  2.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.724    9.032  130.621 RF   75.0 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.059   39.286  172.292 RF   75.0 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.592   42.873  152.005 RF   75.0 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  235.281   18.530  222.803 RF   75.0 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   35.719   33.639  180.082 RF   75.0 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.876   44.557  156.213 RF   75.0 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  245.347   32.164  155.672 RF   74.9 RFZ  2.73 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  200.885   37.243  147.962 RF   74.9 RFZ  2.73 # DEEP

   Scoring 648 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #3 of 8
   0%         100%
   |===========| DONE

   Mean Score (Sigma):       33.88   (10.54)

   SET #3 of 8 TRIAL #56 of 216 (TRIAL #1 of 161 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 165.48  35.57 167.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.385  0.581  0.432     93.472  4.62
   2      0.885  0.081  0.432     93.472  4.62

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #56 of 216 (TRIAL #1 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.885  0.081  0.432     80.795  4.62   0.0      2     93.472/    93.472

   SET #3 of 8 TRIAL #57 of 216 (TRIAL #2 of 161 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 174.84  35.22 168.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.442  0.062  0.891     93.341  4.66
   2      0.942  0.562  0.891     93.341  4.66

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #57 of 216 (TRIAL #2 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.942  0.562  0.891     79.634  4.66   0.0      2     93.341/    93.341

   SET #3 of 8 TRIAL #58 of 216 (TRIAL #3 of 161 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 322.82  28.56 160.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.556  0.511  0.942     103.51  5.87
   2      0.056  0.011  0.942     103.51  5.87
   3      0.554  0.510  0.939      99.44  5.21
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #58 of 216 (TRIAL #3 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.634  0.459  0.381     80.153  4.87   0.0      2     97.372/    97.372
   2      0.556  0.511  0.942     79.965  5.87  16.3      4    103.513/   103.513
   3      0.056  0.569  0.942     73.840  4.71  31.6      2     96.384/    96.384
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #59 of 216 (TRIAL #4 of 161 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 302.48  34.53 174.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #60 of 216 (TRIAL #5 of 161 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 155.42  39.96 157.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #61 of 216 (TRIAL #6 of 161 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 168.78  39.95 163.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #62 of 216 (TRIAL #7 of 161 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 219.01  39.25 165.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #63 of 216 (TRIAL #8 of 161 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 207.91  27.89 176.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #64 of 216 (TRIAL #9 of 161 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler  27.07  27.83 147.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.370  0.163  0.519     96.062  5.23
   2      0.870  0.663  0.519     96.062  5.23
   3      0.368  0.883  0.021     95.855  5.20
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #64 of 216 (TRIAL #9 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.596  0.055  0.971     76.353  4.88   0.0      2     93.972/    93.972
   2      0.368  0.883  0.021     71.109  5.20   5.1      2     95.855/    95.855
   3      0.870  0.663  0.519     70.311  5.23  28.3      2     96.062/    96.062

   SET #3 of 8 TRIAL #65 of 216 (TRIAL #10 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 285.32  35.80 173.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #66 of 216 (TRIAL #11 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 248.33  29.35 162.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 22 sites over 67.5% of top
   22 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.516  0.916  0.032     99.056  5.24
   2      0.016  0.416  0.032     99.056  5.24
   3      0.515  0.910  0.031     98.187  5.10
   #Sites = 22: output truncated to 3 sites

   Top 22 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #66 of 216 (TRIAL #11 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.962  0.802  0.921     78.863  4.37   0.0      2     93.631/    93.631
   2      0.974  0.345  0.254     75.412  4.40  23.2      2     93.793/    93.793
   3      0.842  0.974  0.709     73.666  4.35  11.3      2     93.528/    93.528
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #67 of 216 (TRIAL #12 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  94.86  34.47 153.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 28 sites over 67.5% of top
   28 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.776  0.353  0.414     97.992  4.87
   2      0.276  0.853  0.414     97.992  4.87
   3      0.570  0.281  0.526     97.854  4.85
   #Sites = 28: output truncated to 3 sites

   Top 28 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #67 of 216 (TRIAL #12 of 161 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.464  0.285  0.532     79.598  4.37   0.0      4     94.992/    95.433
   2      0.547  0.276  0.981     79.329  4.78  24.3      4     97.429/    97.429
   3      0.181  0.386  0.979     78.974  4.40  27.1      2     95.163/    95.163
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #68 of 216 (TRIAL #13 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 188.54  36.06 151.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.490  0.295  0.004     97.660  5.56
   2      0.990  0.795  0.004     97.660  5.56
   3      0.591  0.312  0.459     93.522  4.85
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #68 of 216 (TRIAL #13 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.591  0.312  0.459     78.619  4.85   0.0      2     93.522/    93.522
   2      0.990  0.795  0.004     77.977  5.56  32.3      2     97.660/    97.660
   3      0.991  0.506  0.504     69.837  4.76  35.4      2     92.973/    92.973

   SET #3 of 8 TRIAL #69 of 216 (TRIAL #14 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  10.94  21.02 165.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #70 of 216 (TRIAL #15 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 260.28  37.31 170.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #71 of 216 (TRIAL #16 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  29.93  26.47 156.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.675  0.214  0.410     96.129  5.31
   2      0.175  0.714  0.410     96.129  5.31
   3      0.674  0.696  0.409     94.402  5.02
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #71 of 216 (TRIAL #16 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.175  0.714  0.410     82.935  5.31   0.0      2     96.129/    96.129
   2      0.621  0.725  0.307     81.100  4.78  15.5      2     92.939/    92.939
   3      0.674  0.696  0.409     78.425  5.02  11.0      2     94.402/    94.402

   SET #3 of 8 TRIAL #72 of 216 (TRIAL #17 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 352.12  21.60 169.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #73 of 216 (TRIAL #18 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 163.57  39.98 158.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #74 of 216 (TRIAL #19 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 248.54  40.68 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #75 of 216 (TRIAL #20 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 221.27  34.97 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.277  0.618  0.567     94.504  5.12
   2      0.777  0.118  0.567     94.504  5.12
   3      0.283  0.616  0.576     94.036  5.04
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #75 of 216 (TRIAL #20 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.449  0.025  0.898     77.188  4.93   0.0      2     93.340/    93.340
   2      0.783  0.116  0.576     72.128  5.04  23.1      4     94.036/    94.504

   SET #3 of 8 TRIAL #76 of 216 (TRIAL #21 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  74.02  36.08 212.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #77 of 216 (TRIAL #22 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 285.39  20.58 161.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #78 of 216 (TRIAL #23 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 152.55  30.04 150.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 34 sites over 67.5% of top
   34 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.492  0.344  1.000     97.756  4.86
   2      0.992  0.844  1.000     97.756  4.86
   3      0.459  0.370  0.668     97.452  4.81
   #Sites = 34: output truncated to 3 sites

   Top 34 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #78 of 216 (TRIAL #23 of 161 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.692  0.220  0.617     82.318  4.69   0.0      2     96.684/    96.684
   2      0.405  0.408  0.108     81.412  4.50  24.6      4     95.527/    95.527
   3      0.992  0.844  1.000     79.092  4.86  23.8      2     97.756/    97.756
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #79 of 216 (TRIAL #24 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 232.62  37.51 171.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #80 of 216 (TRIAL #25 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  60.80  26.59 129.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #81 of 216 (TRIAL #26 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  42.56  32.81 151.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 28 sites over 67.5% of top
   28 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.656  0.691  0.400     96.873  5.02
   2      0.156  0.191  0.400     96.873  5.02
   3      0.577  0.107  0.296     96.393  4.94
   #Sites = 28: output truncated to 3 sites

   Top 28 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #81 of 216 (TRIAL #26 of 161 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.156  0.191  0.400     83.695  5.02   0.0      6     96.873/    96.873
   2      0.524  0.563  0.843     80.921  4.50  28.1      4     93.782/    95.554
   3      0.270  0.222  0.621     79.365  4.57  10.8      2     94.192/    94.192
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #82 of 216 (TRIAL #27 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 131.62  36.65 164.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.353  0.182  0.420     94.371  4.89
   2      0.853  0.682  0.420     94.371  4.89

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #82 of 216 (TRIAL #27 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.853  0.682  0.420     83.196  4.89   0.0      2     94.371/    94.371

   SET #3 of 8 TRIAL #83 of 216 (TRIAL #28 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 276.77  36.46 172.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #84 of 216 (TRIAL #29 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  31.28  27.01 139.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #85 of 216 (TRIAL #30 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 266.84  29.07 162.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.720  0.968  0.365     96.752  5.08
   2      0.220  0.468  0.365     96.752  5.08
   3      0.726  0.969  0.372     95.930  4.94
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #85 of 216 (TRIAL #30 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.072  0.927  0.363     79.055  4.93   0.0      2     95.845/    95.845
   2      0.720  0.968  0.365     78.861  5.08  15.4      4     96.752/    96.752
   3      0.775  0.959  0.031     78.297  4.73  21.3      2     94.615/    94.615
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #86 of 216 (TRIAL #31 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 242.62  48.33 196.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #87 of 216 (TRIAL #32 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 204.20  35.14 161.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #88 of 216 (TRIAL #33 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 183.39  40.20 156.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #89 of 216 (TRIAL #34 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  34.98  58.45 174.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #90 of 216 (TRIAL #35 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 147.24  28.40 136.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #91 of 216 (TRIAL #36 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 224.30  30.75 179.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #92 of 216 (TRIAL #37 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  55.85  49.43 194.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #93 of 216 (TRIAL #38 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 341.56  28.50 159.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #94 of 216 (TRIAL #39 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 264.73  40.37 165.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #95 of 216 (TRIAL #40 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 192.58  30.30 164.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.529  0.104  0.123     94.839  4.83
   2      0.029  0.604  0.123     94.839  4.83
   3      0.471  0.073  0.009     93.350  4.59
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #95 of 216 (TRIAL #40 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.971  0.573  0.009     71.163  4.59   0.0      2     93.350/    93.350
   2      0.210  0.665  0.455     70.994  4.54  22.1      2     93.046/    93.046
   3      0.529  0.104  0.123     68.666  4.83  42.7      2     94.839/    94.839

   SET #3 of 8 TRIAL #96 of 216 (TRIAL #41 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  63.09  47.93 196.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #97 of 216 (TRIAL #42 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 195.65  35.27 161.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #98 of 216 (TRIAL #43 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  79.26  28.94 129.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.631  0.693  0.450     91.712  5.28
   2      0.131  0.193  0.450     91.712  5.28

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #98 of 216 (TRIAL #43 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.631  0.693  0.450     73.759  5.28   0.0      2     91.712/    91.712

   SET #3 of 8 TRIAL #99 of 216 (TRIAL #44 of 161 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 194.79  32.13 146.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.521  0.225  0.123     98.804  5.50
   2      0.021  0.725  0.123     98.804  5.50
   3      0.385  0.331  0.565     95.891  5.01
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #99 of 216 (TRIAL #44 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.021  0.725  0.123     86.939  5.50   0.0      4     98.804/    98.804
   2      0.385  0.331  0.565     78.861  5.01  28.1      4     95.891/    95.891

   SET #3 of 8 TRIAL #100 of 216 (TRIAL #45 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 156.67  29.32 136.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #101 of 216 (TRIAL #46 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  82.17  32.08 212.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #102 of 216 (TRIAL #47 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  12.48  21.81 155.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #103 of 216 (TRIAL #48 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  19.05  28.56 158.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.618  0.658  0.290     95.273  5.11
   2      0.118  0.158  0.290     95.273  5.11
   3      0.663  0.171  0.404     94.382  4.97
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #103 of 216 (TRIAL #48 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.163  0.671  0.404     76.203  4.97   0.0      2     94.382/    94.382
   2      0.618  0.658  0.290     73.414  5.11  16.7      2     95.273/    95.273

   SET #3 of 8 TRIAL #104 of 216 (TRIAL #49 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  37.13  39.30 209.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #105 of 216 (TRIAL #50 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  21.86  46.48 196.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #106 of 216 (TRIAL #51 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 108.16  30.03 138.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #107 of 216 (TRIAL #52 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  42.40  57.67 177.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #108 of 216 (TRIAL #53 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  99.11  29.16 138.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #109 of 216 (TRIAL #54 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 207.45  29.35 167.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.534  0.975  0.134     95.346  5.22
   2      0.034  0.475  0.134     95.346  5.22
   3      0.529  0.977  0.128     93.725  4.94
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #109 of 216 (TRIAL #54 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.529  0.977  0.128     76.693  4.94   0.0      4     93.725/    95.346

   SET #3 of 8 TRIAL #110 of 216 (TRIAL #55 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 304.70  28.04 181.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #111 of 216 (TRIAL #56 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  84.53  31.13 133.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.627  0.647  0.995     94.612  5.70
   2      0.127  0.147  0.995     94.612  5.70
   3      0.628  0.575  0.497     91.807  5.23
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #111 of 216 (TRIAL #56 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.627  0.647  0.995     79.858  5.70   0.0      2     94.612/    94.612
   2      0.128  0.075  0.497     71.629  5.23  36.7      2     91.807/    91.807

   SET #3 of 8 TRIAL #112 of 216 (TRIAL #57 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  88.60  14.55 113.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #113 of 216 (TRIAL #58 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler   9.68  28.52 158.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.629  0.682  0.069     94.966  5.08
   2      0.129  0.182  0.069     94.966  5.08

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #113 of 216 (TRIAL #58 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.129  0.182  0.069     76.904  5.08   0.0      2     94.966/    94.966

   SET #3 of 8 TRIAL #114 of 216 (TRIAL #59 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 209.76  41.76 152.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #115 of 216 (TRIAL #60 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 170.79  30.76 150.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 20 sites over 67.5% of top
   20 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.529  0.278  0.121     97.896  5.30
   2      0.029  0.778  0.121     97.896  5.30
   3      0.527  0.272  0.117     95.706  4.94
   #Sites = 20: output truncated to 3 sites

   Top 20 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #115 of 216 (TRIAL #60 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.027  0.772  0.117     84.227  4.94   0.0      4     95.706/    97.896
   2      0.394  0.372  0.559     77.095  4.89  28.3      2     95.420/    95.420
   3      0.725  0.379  0.004     75.870  4.64  25.7      2     93.862/    93.862
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #116 of 216 (TRIAL #61 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 353.58  30.67 168.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.523  0.197  0.615     96.849  5.21
   2      0.023  0.697  0.615     96.849  5.21
   3      0.487  0.799  0.275     95.364  4.96
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #116 of 216 (TRIAL #61 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.023  0.697  0.615     81.940  5.21   0.0      2     96.849/    96.849
   2      0.487  0.799  0.275     71.855  4.96  35.7      2     95.364/    95.364

   SET #3 of 8 TRIAL #117 of 216 (TRIAL #62 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 206.18  36.98 179.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #118 of 216 (TRIAL #63 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 194.30  50.74 192.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #119 of 216 (TRIAL #64 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 177.08  30.63 164.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.459  0.660  0.229     93.257  4.60
   2      0.959  0.160  0.229     93.257  4.60
   3      0.629  0.702  0.554     93.092  4.57
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #119 of 216 (TRIAL #64 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.629  0.702  0.554     75.431  4.57   0.0      2     93.092/    93.092
   2      0.459  0.660  0.229     72.293  4.60  16.0      2     93.257/    93.257

   SET #3 of 8 TRIAL #120 of 216 (TRIAL #65 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler   9.26  30.05 168.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.526  0.267  0.624     98.087  5.36
   2      0.026  0.767  0.624     98.087  5.36
   3      0.487  0.718  0.288     93.827  4.64
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #120 of 216 (TRIAL #65 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.526  0.267  0.624     86.407  5.36   0.0      2     98.087/    98.087

   SET #3 of 8 TRIAL #121 of 216 (TRIAL #66 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 125.58  40.88 160.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #122 of 216 (TRIAL #67 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 128.76  26.60 136.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #123 of 216 (TRIAL #68 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 214.42  56.77 173.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #124 of 216 (TRIAL #69 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  84.45  21.19 136.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #125 of 216 (TRIAL #70 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  47.30  26.90 133.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #126 of 216 (TRIAL #71 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  93.41  30.41 100.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #127 of 216 (TRIAL #72 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 206.86  32.43 178.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #128 of 216 (TRIAL #73 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  49.29  33.29 141.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #129 of 216 (TRIAL #74 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 221.47  32.70 151.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.209  0.701  0.461     94.503  5.05
   2      0.709  0.201  0.461     94.503  5.05

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #129 of 216 (TRIAL #74 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.209  0.701  0.461     76.456  5.05   0.0      2     94.503/    94.503

   SET #3 of 8 TRIAL #130 of 216 (TRIAL #75 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 209.83  31.58 154.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.436  0.147  0.677     93.890  4.99
   2      0.936  0.647  0.677     93.890  4.99
   3      0.468  0.187  0.010     92.968  4.84
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #130 of 216 (TRIAL #75 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.468  0.187  0.010     74.376  4.84   0.0      2     92.968/    92.968
   2      0.709  0.189  0.459     72.103  4.75  22.1      2     92.434/    92.434
   3      0.936  0.647  0.677     70.444  4.99  36.2      2     93.890/    93.890

   SET #3 of 8 TRIAL #131 of 216 (TRIAL #76 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 210.85  39.45 164.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #132 of 216 (TRIAL #77 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 182.02  40.58 148.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #133 of 216 (TRIAL #78 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 197.56  45.32 156.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #134 of 216 (TRIAL #79 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 139.50  30.14 154.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 28 sites over 67.5% of top
   28 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.704  0.437  0.879     101.31  5.71
   2      0.204  0.937  0.879     101.31  5.71
   3      0.706  0.730  0.377      98.04  5.20
   #Sites = 28: output truncated to 3 sites

   Top 28 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #134 of 216 (TRIAL #79 of 161 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.706  0.730  0.377     77.618  5.20   0.0      4     98.039/    98.039
   2      0.705  0.759  0.877     74.384  4.58  30.1      2     94.144/    94.144
   3      0.548  0.338  0.111     74.367  4.47  16.3      2     93.453/    93.453
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #135 of 216 (TRIAL #80 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 140.08  44.06 153.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #136 of 216 (TRIAL #81 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  38.86  16.40 156.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #137 of 216 (TRIAL #82 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  43.78  37.37 212.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #138 of 216 (TRIAL #83 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  37.74  34.38 143.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #139 of 216 (TRIAL #84 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 197.28  40.31 158.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #140 of 216 (TRIAL #85 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 251.76  23.30 178.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #141 of 216 (TRIAL #86 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 130.31  29.98 154.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 24 sites over 67.5% of top
   24 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.714  0.451  0.878     99.144  5.48
   2      0.214  0.951  0.878     99.144  5.48
   3      0.716  0.741  0.377     98.266  5.34
   #Sites = 24: output truncated to 3 sites

   Top 24 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #141 of 216 (TRIAL #86 of 161 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.716  0.741  0.377     77.172  5.34   0.0      4     98.266/    98.266
   2      0.503  0.339  0.995     74.407  4.58  21.0      2     93.437/    93.437
   3      0.215  0.275  0.876     74.011  4.59  23.6      2     93.476/    93.476
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #142 of 216 (TRIAL #87 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  14.33  23.52 135.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #143 of 216 (TRIAL #88 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 224.30  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.521  0.538  0.351     96.940  5.39
   2      0.021  0.038  0.351     96.940  5.39
   3      0.443  0.596  0.907     94.467  5.00
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #143 of 216 (TRIAL #88 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.021  0.038  0.351     77.150  5.39   0.0      2     96.940/    96.940
   2      0.148  0.112  0.575     72.589  4.70  11.3      2     92.562/    92.562
   3      0.943  0.096  0.907     71.078  5.00  18.7      2     94.467/    94.467
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #144 of 216 (TRIAL #89 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 287.72  13.53  93.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #145 of 216 (TRIAL #90 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 206.23  45.28 158.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #146 of 216 (TRIAL #91 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  89.46  21.31 150.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #147 of 216 (TRIAL #92 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 233.34  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.240  0.575  0.031     94.291  4.95
   2      0.740  0.075  0.031     94.291  4.95
   3      0.527  0.512  0.352     92.729  4.71
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #147 of 216 (TRIAL #92 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.027  0.012  0.352     74.400  4.71   0.0      2     92.729/    92.729
   2      0.240  0.575  0.031     69.222  4.95  23.1      2     94.291/    94.291
   3      0.448  0.564  0.908     67.593  4.63  33.1      2     92.272/    92.272

   SET #3 of 8 TRIAL #148 of 216 (TRIAL #93 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 227.28  54.30 181.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #149 of 216 (TRIAL #94 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 300.35  24.44  96.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #150 of 216 (TRIAL #95 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 218.97  34.60 185.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #151 of 216 (TRIAL #96 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 176.11  30.88 154.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.385  0.296  0.557     96.914  5.39
   2      0.885  0.796  0.557     96.914  5.39
   3      0.522  0.198  0.120     96.419  5.31
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #151 of 216 (TRIAL #96 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.022  0.698  0.120     82.577  5.31   0.0      2     96.419/    96.419
   2      0.885  0.796  0.557     81.421  5.39  16.5      2     96.914/    96.914
   3      0.972  0.498  0.511     73.224  4.82  23.6      2     93.370/    93.370

   SET #3 of 8 TRIAL #152 of 216 (TRIAL #97 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 111.97  29.65 155.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 20 sites over 67.5% of top
   20 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.758  0.472  0.433     101.79  5.99
   2      0.258  0.972  0.433     101.79  5.99
   3      0.304  0.190  0.044      98.40  5.45
   #Sites = 20: output truncated to 3 sites

   Top 20 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #152 of 216 (TRIAL #97 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.758  0.472  0.433     78.832  5.99   0.0      6     101.79/    101.79
   2      0.810  0.693  0.053     71.014  4.64  28.0      4      93.28/     98.40
   3      0.009  0.418  0.208     70.792  4.76  18.7      2      94.02/     94.02
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #153 of 216 (TRIAL #98 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 204.04  32.65 147.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.703  0.345  0.454     95.270  5.28
   2      0.203  0.845  0.454     95.270  5.28
   3      0.515  0.179  0.125     93.688  5.01
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #153 of 216 (TRIAL #98 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.515  0.179  0.125     80.684  5.01   0.0      2     93.688/    93.688
   2      0.703  0.345  0.454     76.389  5.28  16.9      2     95.270/    95.270

   SET #3 of 8 TRIAL #154 of 216 (TRIAL #99 of 161 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 242.48  42.27 158.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #155 of 216 (TRIAL #100 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  72.46  11.73 223.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #156 of 216 (TRIAL #101 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 156.31  53.76 154.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #157 of 216 (TRIAL #102 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 153.77  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.683  0.359  0.878     94.062  4.80
   2      0.183  0.859  0.878     94.062  4.80
   3      0.716  0.321  0.442     93.866  4.76
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #157 of 216 (TRIAL #102 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.529  0.240  0.117     72.866  4.65   0.0      2     93.128/    93.128
   2      0.413  0.801  0.105     69.959  4.54  14.6      2     92.439/    92.439
   3      0.683  0.359  0.878     66.793  4.80  20.0      2     94.062/    94.062
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #158 of 216 (TRIAL #103 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 186.87  43.84 170.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #159 of 216 (TRIAL #104 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 174.50  39.82 171.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #160 of 216 (TRIAL #105 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 179.04  34.85 174.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #161 of 216 (TRIAL #106 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  37.30  19.82 136.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #162 of 216 (TRIAL #107 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 212.94  41.17 203.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #163 of 216 (TRIAL #108 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 216.80  39.58 208.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #164 of 216 (TRIAL #109 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  17.83  18.41 140.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #165 of 216 (TRIAL #110 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  25.21  19.89 151.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #166 of 216 (TRIAL #111 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 273.24  25.47 218.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #167 of 216 (TRIAL #112 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 296.66  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.302  0.502  0.041     97.509  5.40
   2      0.802  0.002  0.041     97.509  5.40
   3      0.747  0.997  0.374     96.865  5.30
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #167 of 216 (TRIAL #112 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.802  0.002  0.041     74.548  5.40   0.0      2     97.509/    97.509
   2      0.747  0.997  0.374     74.252  5.30  24.8      2     96.865/    96.865
   3      0.770  0.994  0.930     72.476  5.01   5.6      2     94.965/    94.965

   SET #3 of 8 TRIAL #168 of 216 (TRIAL #113 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 323.82  26.22 181.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #169 of 216 (TRIAL #114 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 101.41   5.37 211.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #170 of 216 (TRIAL #115 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 120.33  37.14 144.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #171 of 216 (TRIAL #116 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 306.52  14.35  74.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #172 of 216 (TRIAL #117 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 136.82  38.13 146.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #173 of 216 (TRIAL #118 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 109.40  40.97 157.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #174 of 216 (TRIAL #119 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  52.22  25.26 140.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #175 of 216 (TRIAL #120 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 155.76  31.37 167.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.514  0.195  0.339     92.647  4.85
   2      0.014  0.695  0.339     92.647  4.85

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #175 of 216 (TRIAL #120 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.514  0.195  0.339     78.463  4.85   0.0      2     92.647/    92.647

   SET #3 of 8 TRIAL #176 of 216 (TRIAL #121 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 116.19  13.91  85.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #177 of 216 (TRIAL #122 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  31.14  25.21 134.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #178 of 216 (TRIAL #123 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 287.62  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.737  0.988  0.373     96.366  5.33
   2      0.237  0.488  0.373     96.366  5.33
   3      0.292  0.492  0.039     95.402  5.18
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #178 of 216 (TRIAL #123 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.761  0.988  0.928     75.819  5.12   0.0      2     94.988/    94.988
   2      0.737  0.988  0.373     75.065  5.33  29.7      4     96.366/    96.366
   3      0.206  0.516  0.807     74.266  4.71  44.4      2     92.338/    92.338
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #179 of 216 (TRIAL #124 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 201.23  44.69 195.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #180 of 216 (TRIAL #125 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 350.66  28.50 175.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #181 of 216 (TRIAL #126 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 156.33  58.35 154.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #182 of 216 (TRIAL #127 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  26.73  22.17 134.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #183 of 216 (TRIAL #128 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 187.91  33.96 177.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #184 of 216 (TRIAL #129 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 100.22  21.64 148.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #185 of 216 (TRIAL #130 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 167.55  53.75 165.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #186 of 216 (TRIAL #131 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 278.57  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.721  0.987  0.362     95.559  5.26
   2      0.221  0.487  0.362     95.559  5.26
   3      0.727  0.988  0.372     94.695  5.13
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #186 of 216 (TRIAL #131 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.221  0.487  0.362     78.918  5.26   0.0      4     95.559/    95.559
   2      0.697  0.020  0.806     77.009  5.01  20.0      2     93.899/    93.899
   3      0.251  0.483  0.925     76.289  5.10  29.6      2     94.482/    94.482
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #187 of 216 (TRIAL #132 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  39.72  18.23 145.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #188 of 216 (TRIAL #133 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler   2.25  24.79 138.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #189 of 216 (TRIAL #134 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 344.18   5.41 189.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #190 of 216 (TRIAL #135 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 176.17  40.47 144.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #191 of 216 (TRIAL #136 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 192.58  29.43 173.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #192 of 216 (TRIAL #137 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 101.10  20.63 108.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #193 of 216 (TRIAL #138 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 316.39  19.88 167.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #194 of 216 (TRIAL #139 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 239.75  32.04 139.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 24 sites over 67.5% of top
   24 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.225  0.178  0.809     98.809  4.95
   2      0.725  0.678  0.809     98.809  4.95
   3      0.414  0.177  0.691     97.140  4.68
   #Sites = 24: output truncated to 3 sites

   Top 24 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #194 of 216 (TRIAL #139 of 161 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.390  0.754  0.331     70.838  4.36   0.0      4     95.154/    95.154
   2      0.945  0.113  0.816     69.755  4.16  27.2      2     93.933/    93.933
   3      0.776  0.301  0.113     69.236  4.43  24.3      2     95.603/    95.603
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 8 TRIAL #195 of 216 (TRIAL #140 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 338.49  31.76 176.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #196 of 216 (TRIAL #141 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 231.89  24.94 180.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #197 of 216 (TRIAL #142 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 260.48  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #198 of 216 (TRIAL #143 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 309.16  23.84 175.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #199 of 216 (TRIAL #144 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 305.88  28.56  99.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #200 of 216 (TRIAL #145 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 270.08  26.84 178.93 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #201 of 216 (TRIAL #146 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 195.44  43.19 171.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #202 of 216 (TRIAL #147 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 167.91  39.89 143.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #203 of 216 (TRIAL #148 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 171.63  44.46 159.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #204 of 216 (TRIAL #149 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 359.14  23.34 175.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #205 of 216 (TRIAL #150 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 261.47  30.96 211.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #206 of 216 (TRIAL #151 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 215.09  52.36 172.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #207 of 216 (TRIAL #152 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 175.85  53.62 167.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #208 of 216 (TRIAL #153 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  30.02  47.21 198.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #209 of 216 (TRIAL #154 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  63.72   9.03 130.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #210 of 216 (TRIAL #155 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 183.06  39.29 172.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #211 of 216 (TRIAL #156 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 219.59  42.87 152.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #212 of 216 (TRIAL #157 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 235.28  18.53 222.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #213 of 216 (TRIAL #158 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  35.72  33.64 180.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 22 sites over 67.5% of top
   22 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.525  0.381  0.752     98.210  4.73
   2      0.025  0.881  0.752     98.210  4.73
   3      0.715  0.390  0.642     97.151  4.55
   #Sites = 22: output truncated to 3 sites

   Top 22 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #213 of 216 (TRIAL #158 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.525  0.381  0.752     67.705  4.73   0.0      2     98.210/    98.210
   2      0.715  0.390  0.642     64.653  4.55  20.0      2     97.151/    97.151
   3      0.873  0.949  0.418     64.380  4.32  32.6      4     95.678/    95.678

   SET #3 of 8 TRIAL #214 of 216 (TRIAL #159 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 155.88  44.56 156.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 8 TRIAL #215 of 216 (TRIAL #160 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 245.35  32.16 155.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.678  0.320  0.855     91.832  4.97
   2      0.178  0.820  0.855     91.832  4.97
   3      0.241  0.575  0.030     91.709  4.95
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #3 of 8 TRIAL #215 of 216 (TRIAL #160 of 161 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.241  0.575  0.030     69.507  4.95   0.0      2     91.709/    91.709
   2      0.178  0.820  0.855     66.077  4.97  10.4      2     91.832/    91.832

   SET #3 of 8 TRIAL #216 of 216 (TRIAL #161 of 161 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 200.88  37.24 147.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring


---------------------------------
DEEP TRANSLATION FUNCTION #4 OF 8
---------------------------------

   143 trial orientations in deep search


   SOLU SET  RFZ=4.5 TFZ=4.1 PAK=0 LLG=58
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  316.1   42.2  152.6 FRAC -0.28 -0.52 -0.18 BFAC -8.97
   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   88.5 RFZ  4.24

   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   88.3 RFZ  4.23

   SOLU TRIAL ENSEMBLE helix_pdb EULER   51.869   24.857  151.761 RF   87.1 RFZ  4.09

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   86.6 RFZ  4.04

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.424   24.033  161.846 RF   86.6 RFZ  4.04

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.535   25.925  148.923 RF   86.4 RFZ  4.02

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   86.0 RFZ  3.98

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   85.9 RFZ  3.97

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   85.8 RFZ  3.96

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   85.7 RFZ  3.95

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.201   26.601  163.128 RF   85.1 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   85.0 RFZ  3.86

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   84.7 RFZ  3.84

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   84.5 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   84.5 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   84.5 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   84.5 RFZ  3.81

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   84.4 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   84.2 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   84.2 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   84.1 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   83.9 RFZ  3.75

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   83.9 RFZ  3.75

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   83.8 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   83.8 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   83.8 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   83.7 RFZ  3.73

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   83.7 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   83.6 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   83.6 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   83.5 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   83.5 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   83.5 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   83.4 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   83.4 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   83.2 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   83.1 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   83.1 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   82.9 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   82.9 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   82.8 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   82.8 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   82.5 RFZ  3.60

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   82.4 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   82.3 RFZ  3.57

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   82.2 RFZ  3.57

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   82.0 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   81.9 RFZ  3.53

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   81.7 RFZ  3.51

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   81.5 RFZ  3.48

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   81.4 RFZ  3.48

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   81.4 RFZ  3.48

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   81.3 RFZ  3.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   81.2 RFZ  3.46 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   81.2 RFZ  3.46 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   81.2 RFZ  3.45 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   81.0 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   81.0 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   80.9 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   80.9 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   80.8 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   80.8 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.203   35.142  161.594 RF   80.8 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   80.7 RFZ  3.40 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   80.7 RFZ  3.40 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.388   40.196  156.612 RF   80.6 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   80.6 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   80.5 RFZ  3.38 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   80.3 RFZ  3.36 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   80.3 RFZ  3.36 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.262   28.939  129.773 RF   80.2 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   12.483   21.810  155.358 RF   80.2 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.771   36.460  172.722 RF   80.2 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   80.1 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   29.925   26.470  156.022 RF   80.0 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   80.0 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   80.0 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   80.0 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   79.8 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.649   35.266  161.001 RF   79.7 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.705   28.038  181.965 RF   79.7 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  210.850   39.450  164.662 RF   79.7 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   79.6 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.844   29.075  162.258 RF   79.5 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.526   31.131  133.953 RF   79.4 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   79.3 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  108.160   30.031  138.942 RF   79.3 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.105   29.162  138.969 RF   79.2 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.278   40.307  158.593 RF   79.1 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.791   30.761  150.363 RF   78.9 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   78.9 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.453   21.186  136.283 RF   78.8 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.303   26.896  133.601 RF   78.8 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.302   50.743  192.838 RF   78.8 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.732   40.369  165.315 RF   78.7 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   78.7 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.078   44.065  153.168 RF   78.6 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   78.6 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.853   49.425  194.168 RF   78.5 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.279   27.013  139.028 RF   78.5 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.561   28.504  159.572 RF   78.4 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  251.757   23.300  178.313 RF   78.4 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   78.3 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  139.502   30.142  154.811 RF   78.3 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.275   54.297  181.356 RF   78.2 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.765   26.601  136.983 RF   78.1 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  218.966   34.600  185.712 RF   78.1 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.182   36.981  179.693 RF   78.1 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   38.861   16.401  156.062 RF   78.0 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  182.024   40.582  148.556 RF   78.0 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.820   38.127  146.797 RF   77.9 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   77.8 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  147.239   28.399  136.646 RF   77.7 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.760   41.761  152.978 RF   77.7 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.306   29.978  154.977 RF   77.7 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.791   32.132  146.853 RF   77.7 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   25.214   19.891  151.386 RF   77.6 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.862   32.433  178.320 RF   77.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.227   45.283  158.453 RF   77.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.224   25.260  140.714 RF   77.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.560   45.317  156.800 RF   77.5 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   14.334   23.518  135.651 RF   77.4 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.674   29.315  136.354 RF   77.4 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  214.423   56.768  173.963 RF   77.3 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.299   19.821  136.813 RF   77.3 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   77.3 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.387   20.578  161.440 RF   77.3 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   88.596   14.547  113.772 RF   77.3 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  120.330   37.137  144.780 RF   77.2 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.350   24.444   96.617 RF   77.2 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  353.579   30.665  168.047 RF   77.1 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.500   39.817  171.071 RF   77.1 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.743   34.377  143.791 RF   77.1 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.483   42.272  158.790 RF   77.0 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.583   40.879  160.397 RF   77.0 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.460   21.314  150.409 RF   76.9 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   49.289   33.293  141.902 RF   76.8 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  323.822   26.217  181.423 RF   76.8 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.138   25.215  134.276 RF   76.5 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  167.913   39.885  143.186 RF   76.5 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  171.632   44.458  159.325 RF   76.5 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  270.077   26.844  178.929 RF   76.5 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  131.617   36.655  164.234 RF   76.5 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.257   30.048  168.017 RF   76.5 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.049   35.847  175.245 RF   76.4 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.047   28.565  158.082 RF   76.4 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  237.787   44.836  165.264 RF   76.4 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   17.831   18.414  140.969 RF   76.4 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.035   34.851  174.050 RF   76.4 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.443   43.194  171.864 RF   76.3 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.683   28.520  158.446 RF   76.3 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  186.873   43.841  170.156 RF   76.3 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  187.914   33.960  177.620 RF   76.3 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   78.454   33.718  128.610 RF   76.1 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.279   48.442  147.730 RF   76.1 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.392   19.880  167.093 RF   76.1 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  327.778   16.454  154.763 RF   76.1 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.893   24.939  180.164 RF   76.0 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    2.250   24.787  138.003 RF   76.0 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   39.722   18.231  145.587 RF   76.0 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.876   44.557  156.213 RF   76.0 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.749   32.036  139.851 RF   76.0 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  273.241   25.466  218.527 RF   76.0 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.414    5.368  211.612 RF   75.9 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  116.193   13.908   85.859 RF   75.9 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  309.155   23.841  175.706 RF   75.9 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  201.232   44.691  195.382 RF   75.8 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  199.461   39.034  167.248 RF   75.8 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  292.600   27.121  184.996 RF   75.8 RFZ  2.88 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.480   24.023  131.089 RF   75.8 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.974   29.645  155.250 RF   75.8 RFZ  2.87 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  301.686   18.210  172.997 RF   75.7 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   26.727   22.173  134.486 RF   75.7 RFZ  2.86 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.581   30.297  164.048 RF   75.6 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.349   34.097  182.439 RF   75.5 RFZ  2.84 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   35.719   33.639  180.082 RF   75.5 RFZ  2.84 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.170   40.468  144.627 RF   75.4 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.095   20.634  108.809 RF   75.4 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  338.494   31.758  176.517 RF   75.4 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  249.985    7.323  233.307 RF   75.4 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.583   29.426  173.150 RF   75.4 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  205.761   41.527  180.889 RF   75.3 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.308   53.759  154.829 RF   75.3 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  265.401   31.788  207.757 RF   75.3 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.664   23.050  182.201 RF   75.3 RFZ  2.82 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.664   28.496  175.086 RF   75.3 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.311   43.587  168.237 RF   75.3 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  159.766   34.093  132.723 RF   75.2 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.724   13.530   93.504 RF   75.2 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  148.402   38.491  144.073 RF   75.2 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.868   17.129  138.121 RF   75.2 RFZ  2.81 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.036   32.648  147.192 RF   75.1 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.724    9.032  130.621 RF   75.0 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  153.968   41.276  171.853 RF   75.0 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.201   37.089  156.639 RF   75.0 RFZ  2.78 # DEEP

   Scoring 585 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #4 of 8
   0%        100%
   |==========| DONE

   Mean Score (Sigma):       35.90   (10.21)

   SET #4 of 8 TRIAL #53 of 195 (TRIAL #1 of 143 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 232.62  37.51 171.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #54 of 195 (TRIAL #2 of 143 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 322.82  28.56 160.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.556  0.397  0.441     94.660  4.51
   2      0.056  0.897  0.441     94.660  4.51
   3      0.349  0.402  0.401     94.036  4.41
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #54 of 195 (TRIAL #2 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.849  0.902  0.401     78.020  4.41   0.0      2     94.036/    94.036
   2      0.895  0.874  0.515     73.888  4.32   5.6      2     93.490/    93.490
   3      0.556  0.397  0.441     68.167  4.51  31.0      2     94.660/    94.660

   SET #4 of 8 TRIAL #55 of 195 (TRIAL #3 of 143 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 246.31  25.15 174.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #56 of 195 (TRIAL #4 of 143 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 155.42  39.96 157.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #57 of 195 (TRIAL #5 of 143 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 163.57  39.98 158.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #58 of 195 (TRIAL #6 of 143 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 221.27  34.97 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #59 of 195 (TRIAL #7 of 143 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler  10.68  27.05 148.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.366  0.456  0.519     96.330  5.02
   2      0.866  0.956  0.519     96.330  5.02
   3      0.803  0.469  0.535     94.195  4.67
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #59 of 195 (TRIAL #7 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.808  0.473  0.543     79.552  4.60   0.0      4     93.783/    94.195
   2      0.866  0.956  0.519     69.637  5.02  13.2      2     96.330/    96.330

   SET #4 of 8 TRIAL #60 of 195 (TRIAL #8 of 143 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 217.47  27.18 176.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #61 of 195 (TRIAL #9 of 143 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 296.42  20.58 159.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.811  0.251  0.649     96.843  5.72
   2      0.311  0.751  0.649     96.843  5.72

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #61 of 195 (TRIAL #9 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.811  0.251  0.649     91.668  5.72   0.0      2     96.843/    96.843

   SET #4 of 8 TRIAL #62 of 195 (TRIAL #10 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 248.54  40.68 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #63 of 195 (TRIAL #11 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 204.20  35.14 161.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #64 of 195 (TRIAL #12 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 285.32  35.80 173.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #65 of 195 (TRIAL #13 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 260.28  37.31 170.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #66 of 195 (TRIAL #14 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 183.39  40.20 156.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #67 of 195 (TRIAL #15 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 331.02  25.47 151.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.342  0.345  0.514     93.396  4.54
   2      0.842  0.845  0.514     93.396  4.54

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #67 of 195 (TRIAL #15 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.842  0.845  0.514     69.604  4.54   0.0      2     93.396/    93.396

   SET #4 of 8 TRIAL #68 of 195 (TRIAL #16 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 248.33  29.35 162.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.722  0.769  0.802     94.105  4.51
   2      0.222  0.269  0.802     94.105  4.51
   3      0.251  0.373  0.478     93.765  4.45
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #68 of 195 (TRIAL #16 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.222  0.269  0.802     81.553  4.51   0.0      2     94.105/    94.105
   2      0.751  0.873  0.478     71.977  4.45  21.6      2     93.765/    93.765

   SET #4 of 8 TRIAL #69 of 195 (TRIAL #17 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 165.48  35.57 167.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.653  0.542  0.654     95.329  5.11
   2      0.153  0.042  0.654     95.329  5.11
   3      0.666  0.784  0.965     93.799  4.84
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #69 of 195 (TRIAL #17 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.166  0.284  0.965     86.342  4.84   0.0      2     93.799/    93.799
   2      0.153  0.042  0.654     83.264  5.11  19.9      2     95.329/    95.329

   SET #4 of 8 TRIAL #70 of 195 (TRIAL #18 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  27.07  27.83 147.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.370  0.141  0.519     97.124  5.51
   2      0.870  0.641  0.519     97.124  5.51
   3      0.369  0.533  0.520     97.111  5.51
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #70 of 195 (TRIAL #18 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.370  0.141  0.519     76.182  5.51   0.0      2     97.124/    97.124
   2      0.369  0.608  0.020     74.400  5.06  25.5      2     94.408/    94.408
   3      0.868  0.701  0.020     70.390  4.98  28.2      2     93.910/    93.910
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #71 of 195 (TRIAL #19 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  79.26  28.94 129.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.631  0.314  0.448     91.762  5.21
   2      0.131  0.814  0.448     91.762  5.21

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #71 of 195 (TRIAL #19 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.131  0.814  0.448     83.548  5.21   0.0      2     91.762/    91.762

   SET #4 of 8 TRIAL #72 of 195 (TRIAL #20 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  12.48  21.81 155.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #73 of 195 (TRIAL #21 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 276.77  36.46 172.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #74 of 195 (TRIAL #22 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 302.48  34.53 174.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #75 of 195 (TRIAL #23 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  29.93  26.47 156.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #76 of 195 (TRIAL #24 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  60.80  26.59 129.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #77 of 195 (TRIAL #25 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 174.84  35.22 168.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.235  0.556  0.114     93.577  4.91
   2      0.735  0.056  0.114     93.577  4.91

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #77 of 195 (TRIAL #25 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.235  0.556  0.114     79.622  4.91   0.0      2     93.577/    93.577

   SET #4 of 8 TRIAL #78 of 195 (TRIAL #26 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 188.54  36.06 151.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #79 of 195 (TRIAL #27 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  30.36  24.91 165.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #80 of 195 (TRIAL #28 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 195.65  35.27 161.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.275  0.606  0.252     92.520  4.92
   2      0.775  0.106  0.252     92.520  4.92

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #80 of 195 (TRIAL #28 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.775  0.106  0.252     82.765  4.92   0.0      2     92.520/    92.520

   SET #4 of 8 TRIAL #81 of 195 (TRIAL #29 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 304.70  28.04 181.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #82 of 195 (TRIAL #30 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 210.85  39.45 164.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #83 of 195 (TRIAL #31 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 224.30  30.75 179.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #84 of 195 (TRIAL #32 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 266.84  29.07 162.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.273  0.363  0.484     94.617  4.79
   2      0.773  0.863  0.484     94.617  4.79
   3      0.749  0.758  0.811     94.415  4.76
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #84 of 195 (TRIAL #32 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.749  0.758  0.811     84.476  4.76   0.0      2     94.415/    94.415
   2      0.773  0.863  0.484     73.352  4.79  22.4      2     94.617/    94.617

   SET #4 of 8 TRIAL #85 of 195 (TRIAL #33 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  84.53  31.13 133.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.627  0.753  0.996     94.559  5.61
   2      0.127  0.253  0.996     94.559  5.61
   3      0.628  0.941  0.496     92.483  5.26
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #85 of 195 (TRIAL #33 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.627  0.753  0.996     79.870  5.61   0.0      2     94.559/    94.559
   2      0.128  0.441  0.496     70.556  5.26  36.0      2     92.483/    92.483

   SET #4 of 8 TRIAL #86 of 195 (TRIAL #34 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 352.12  21.60 169.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #87 of 195 (TRIAL #35 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 108.16  30.03 138.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.805  0.414  0.440     92.931  5.29
   2      0.305  0.914  0.440     92.931  5.29

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #87 of 195 (TRIAL #35 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.805  0.414  0.440     84.350  5.29   0.0      2     92.931/    92.931

   SET #4 of 8 TRIAL #88 of 195 (TRIAL #36 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  99.11  29.16 138.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #89 of 195 (TRIAL #37 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 197.28  40.31 158.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #90 of 195 (TRIAL #38 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 170.79  30.76 150.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.235  0.802  0.886     94.560  4.76
   2      0.735  0.302  0.886     94.560  4.76
   3      0.334  0.337  0.785     93.279  4.55
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #90 of 195 (TRIAL #38 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.235  0.802  0.886     78.102  4.76   0.0      2     94.560/    94.560
   2      0.834  0.837  0.785     76.909  4.55  33.2      2     93.279/    93.279

   SET #4 of 8 TRIAL #91 of 195 (TRIAL #39 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 335.56  60.15 153.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.228  0.531  0.965     96.151  5.81
   2      0.728  0.031  0.965     96.151  5.81
   3      0.235  0.520  0.972     93.093  5.26
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #91 of 195 (TRIAL #39 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.728  0.031  0.965     92.787  5.81   0.0      4     96.151/    96.151

   SET #4 of 8 TRIAL #92 of 195 (TRIAL #40 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  84.45  21.19 136.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #93 of 195 (TRIAL #41 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  47.30  26.90 133.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #94 of 195 (TRIAL #42 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 194.30  50.74 192.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #95 of 195 (TRIAL #43 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 264.73  40.37 165.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #96 of 195 (TRIAL #44 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 207.91  27.89 176.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #97 of 195 (TRIAL #45 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 140.08  44.06 153.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #98 of 195 (TRIAL #46 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  10.94  21.02 165.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #99 of 195 (TRIAL #47 of 143 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  55.85  49.43 194.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #100 of 195 (TRIAL #48 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  31.28  27.01 139.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #101 of 195 (TRIAL #49 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 341.56  28.50 159.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #102 of 195 (TRIAL #50 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 251.76  23.30 178.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #103 of 195 (TRIAL #51 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  42.56  32.81 151.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #104 of 195 (TRIAL #52 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 139.50  30.14 154.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.736  0.446  0.443     96.994  5.02
   2      0.236  0.946  0.443     96.994  5.02
   3      0.705  0.754  0.379     96.119  4.88
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #104 of 195 (TRIAL #52 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.236  0.946  0.443     75.599  5.02   0.0      2     96.994/    96.994
   2      0.712  0.749  0.388     75.466  4.78   9.7      4     95.466/    96.119
   3      0.712  0.180  0.388     74.479  4.60  10.1      2     94.357/    94.357
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #105 of 195 (TRIAL #53 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 227.28  54.30 181.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #106 of 195 (TRIAL #54 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 128.76  26.60 136.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #107 of 195 (TRIAL #55 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 218.97  34.60 185.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #108 of 195 (TRIAL #56 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 206.18  36.98 179.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #109 of 195 (TRIAL #57 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  38.86  16.40 156.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #110 of 195 (TRIAL #58 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 182.02  40.58 148.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #111 of 195 (TRIAL #59 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 136.82  38.13 146.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #112 of 195 (TRIAL #60 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  34.98  58.45 174.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #113 of 195 (TRIAL #61 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 147.24  28.40 136.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #114 of 195 (TRIAL #62 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 209.76  41.76 152.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #115 of 195 (TRIAL #63 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 130.31  29.98 154.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.715  0.773  0.378     98.033  5.30
   2      0.215  0.273  0.378     98.033  5.30
   3      0.721  0.768  0.387     95.420  4.89
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #115 of 195 (TRIAL #63 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.721  0.768  0.387     75.535  4.89   0.0      4     95.420/    98.033
   2      0.722  0.201  0.388     74.748  4.77  10.3      4     94.708/    94.708
   3      0.222  0.097  0.387     70.969  4.69  14.1      4     94.148/    94.935
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #116 of 195 (TRIAL #64 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 194.79  32.13 146.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.684  0.773  0.777     93.900  4.93
   2      0.184  0.273  0.777     93.900  4.93

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #116 of 195 (TRIAL #64 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.684  0.773  0.777     72.756  4.93   0.0      2     93.900/    93.900

   SET #4 of 8 TRIAL #117 of 195 (TRIAL #65 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  25.21  19.89 151.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #118 of 195 (TRIAL #66 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 206.86  32.43 178.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #119 of 195 (TRIAL #67 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 206.23  45.28 158.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #120 of 195 (TRIAL #68 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  52.22  25.26 140.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #121 of 195 (TRIAL #69 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 197.56  45.32 156.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #122 of 195 (TRIAL #70 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  14.33  23.52 135.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #123 of 195 (TRIAL #71 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 156.67  29.32 136.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #124 of 195 (TRIAL #72 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 214.42  56.77 173.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #125 of 195 (TRIAL #73 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  37.30  19.82 136.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #126 of 195 (TRIAL #74 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 207.45  29.35 167.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.266  0.450  0.580     93.592  5.12
   2      0.766  0.950  0.580     93.592  5.12

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #126 of 195 (TRIAL #74 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.766  0.950  0.580     71.633  5.12   0.0      2     93.592/    93.592

   SET #4 of 8 TRIAL #127 of 195 (TRIAL #75 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 285.39  20.58 161.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.798  0.235  0.645     92.853  5.73
   2      0.298  0.735  0.645     92.853  5.73

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #127 of 195 (TRIAL #75 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.798  0.235  0.645     86.025  5.73   0.0      2     92.853/    92.853

   SET #4 of 8 TRIAL #128 of 195 (TRIAL #76 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  88.60  14.55 113.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #129 of 195 (TRIAL #77 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 120.33  37.14 144.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #130 of 195 (TRIAL #78 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 300.35  24.44  96.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #131 of 195 (TRIAL #79 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 353.58  30.67 168.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #132 of 195 (TRIAL #80 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 174.50  39.82 171.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #133 of 195 (TRIAL #81 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  37.74  34.38 143.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #134 of 195 (TRIAL #82 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 242.48  42.27 158.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #135 of 195 (TRIAL #83 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 125.58  40.88 160.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #136 of 195 (TRIAL #84 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  89.46  21.31 150.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #137 of 195 (TRIAL #85 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  49.29  33.29 141.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #138 of 195 (TRIAL #86 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 323.82  26.22 181.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #139 of 195 (TRIAL #87 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  31.14  25.21 134.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #140 of 195 (TRIAL #88 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 167.91  39.89 143.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #141 of 195 (TRIAL #89 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 171.63  44.46 159.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #142 of 195 (TRIAL #90 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 270.08  26.84 178.93 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #143 of 195 (TRIAL #91 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 131.62  36.65 164.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #144 of 195 (TRIAL #92 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler   9.26  30.05 168.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.746  0.211  0.285     94.373  4.99
   2      0.246  0.711  0.285     94.373  4.99
   3      0.387  0.658  0.631     93.246  4.80
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #144 of 195 (TRIAL #92 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.246  0.711  0.285     70.168  4.99   0.0      2     94.373/    94.373

   SET #4 of 8 TRIAL #145 of 195 (TRIAL #93 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 238.05  35.85 175.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #146 of 195 (TRIAL #94 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  19.05  28.56 158.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #147 of 195 (TRIAL #95 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 237.79  44.84 165.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #148 of 195 (TRIAL #96 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  17.83  18.41 140.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #149 of 195 (TRIAL #97 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 179.04  34.85 174.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #150 of 195 (TRIAL #98 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 195.44  43.19 171.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #151 of 195 (TRIAL #99 of 143 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler   9.68  28.52 158.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #152 of 195 (TRIAL #100 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 186.87  43.84 170.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #153 of 195 (TRIAL #101 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 187.91  33.96 177.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #154 of 195 (TRIAL #102 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  78.45  33.72 128.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #155 of 195 (TRIAL #103 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 153.28  48.44 147.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #156 of 195 (TRIAL #104 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 316.39  19.88 167.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #157 of 195 (TRIAL #105 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 327.78  16.45 154.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #158 of 195 (TRIAL #106 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 231.89  24.94 180.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #159 of 195 (TRIAL #107 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler   2.25  24.79 138.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #160 of 195 (TRIAL #108 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  39.72  18.23 145.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #161 of 195 (TRIAL #109 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 155.88  44.56 156.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #162 of 195 (TRIAL #110 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 239.75  32.04 139.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.659  0.137  0.804     97.176  4.75
   2      0.159  0.637  0.804     97.176  4.75
   3      0.580  0.480  0.751     95.836  4.53
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #162 of 195 (TRIAL #110 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.580  0.480  0.751     70.948  4.53   0.0      2     95.836/    95.836
   2      0.200  0.540  0.929     69.020  4.24  39.9      2     94.139/    94.139
   3      0.580  0.200  0.242     67.474  4.28  16.4      2     94.355/    94.355
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 8 TRIAL #163 of 195 (TRIAL #111 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 273.24  25.47 218.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #164 of 195 (TRIAL #112 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 101.41   5.37 211.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #165 of 195 (TRIAL #113 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 116.19  13.91  85.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #166 of 195 (TRIAL #114 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 309.16  23.84 175.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #167 of 195 (TRIAL #115 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 201.23  44.69 195.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #168 of 195 (TRIAL #116 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 199.46  39.03 167.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #169 of 195 (TRIAL #117 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 292.60  27.12 185.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #170 of 195 (TRIAL #118 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  79.48  24.02 131.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #171 of 195 (TRIAL #119 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 111.97  29.65 155.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.306  0.946  0.543     94.166  4.88
   2      0.806  0.446  0.543     94.166  4.88
   3      0.304  0.823  0.543     93.812  4.82
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #171 of 195 (TRIAL #119 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.211  0.968  0.321     74.420  4.77   0.0      4     93.464/    93.464
   2      0.705  0.361  0.311     69.190  4.63  21.4      2     92.631/    92.631
   3      0.306  0.946  0.543     68.766  4.88  10.8      2     94.166/    94.166

   SET #4 of 8 TRIAL #172 of 195 (TRIAL #120 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 301.69  18.21 173.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #173 of 195 (TRIAL #121 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  26.73  22.17 134.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #174 of 195 (TRIAL #122 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 192.58  30.30 164.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.530  0.517  0.622     92.263  4.82
   2      0.030  0.017  0.622     92.263  4.82

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #174 of 195 (TRIAL #122 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.030  0.017  0.622     65.282  4.82   0.0      2     92.263/    92.263

   SET #4 of 8 TRIAL #175 of 195 (TRIAL #123 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 231.35  34.10 182.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #176 of 195 (TRIAL #124 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  35.72  33.64 180.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.767  0.335  0.857     97.039  4.61
   2      0.267  0.835  0.857     97.039  4.61
   3      0.271  0.842  0.863     97.033  4.60
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #4 of 8 TRIAL #176 of 195 (TRIAL #124 of 143 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.107  0.409  0.635     65.075  4.46   0.0      2     96.191/    96.191

   SET #4 of 8 TRIAL #177 of 195 (TRIAL #125 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 176.17  40.47 144.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #178 of 195 (TRIAL #126 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 101.10  20.63 108.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #179 of 195 (TRIAL #127 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 338.49  31.76 176.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #180 of 195 (TRIAL #128 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 249.99   7.32 233.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #181 of 195 (TRIAL #129 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 192.58  29.43 173.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #182 of 195 (TRIAL #130 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 205.76  41.53 180.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #183 of 195 (TRIAL #131 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 156.31  53.76 154.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #184 of 195 (TRIAL #132 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 265.40  31.79 207.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #185 of 195 (TRIAL #133 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 332.66  23.05 182.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #186 of 195 (TRIAL #134 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 350.66  28.50 175.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #187 of 195 (TRIAL #135 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 217.31  43.59 168.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #188 of 195 (TRIAL #136 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 159.77  34.09 132.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #189 of 195 (TRIAL #137 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 287.72  13.53  93.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #190 of 195 (TRIAL #138 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 148.40  38.49 144.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #191 of 195 (TRIAL #139 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  55.87  17.13 138.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #192 of 195 (TRIAL #140 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 204.04  32.65 147.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #193 of 195 (TRIAL #141 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  63.72   9.03 130.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #194 of 195 (TRIAL #142 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 153.97  41.28 171.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 8 TRIAL #195 of 195 (TRIAL #143 of 143 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  56.20  37.09 156.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring


---------------------------------
DEEP TRANSLATION FUNCTION #5 OF 8
---------------------------------

   139 trial orientations in deep search


   SOLU SET  RFZ=4.5 TFZ=3.7 PAK=0 LLG=58
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  326.8   35.2  137.6 FRAC  0.13 -0.05 -0.10 BFAC -9.63
   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   87.2 RFZ  4.26

   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   85.8 RFZ  4.10

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   84.4 RFZ  3.95

   SOLU TRIAL ENSEMBLE helix_pdb EULER   51.869   24.857  151.761 RF   84.4 RFZ  3.95

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   84.2 RFZ  3.92

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.535   25.925  148.923 RF   84.1 RFZ  3.92

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.424   24.033  161.846 RF   83.9 RFZ  3.90

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   83.8 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   83.6 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   83.6 RFZ  3.86

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   83.4 RFZ  3.84

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   83.2 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   83.2 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   83.0 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_pdb EULER  299.940   24.570  165.557 RF   82.9 RFZ  3.79

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   82.8 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   82.8 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   82.3 RFZ  3.73

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   82.2 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   82.0 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   82.0 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   82.0 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   81.9 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   81.9 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   81.8 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   81.7 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   81.7 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   81.7 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   81.7 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   81.6 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   81.5 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   81.4 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   81.3 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   81.3 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   81.2 RFZ  3.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   81.2 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   81.1 RFZ  3.59 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   81.0 RFZ  3.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   81.0 RFZ  3.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   80.8 RFZ  3.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   80.7 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   80.6 RFZ  3.53 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   80.3 RFZ  3.51 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   80.3 RFZ  3.50 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   80.3 RFZ  3.50 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   80.2 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   80.2 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   80.1 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   80.1 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   80.0 RFZ  3.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   79.9 RFZ  3.46 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   79.8 RFZ  3.45 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   79.8 RFZ  3.45 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   79.7 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   79.7 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   79.7 RFZ  3.43 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   79.6 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   79.5 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   79.2 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   79.2 RFZ  3.38 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   79.1 RFZ  3.38 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.203   35.142  161.594 RF   79.0 RFZ  3.37 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   79.0 RFZ  3.36 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   78.9 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   78.9 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   78.8 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   78.8 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   78.6 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   78.6 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   78.6 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   78.5 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   74.017   36.083  212.756 RF   78.5 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.649   35.266  161.001 RF   78.5 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.771   36.460  172.722 RF   78.3 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   78.3 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   78.2 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.388   40.196  156.612 RF   78.2 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.619   48.334  196.267 RF   78.2 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.844   29.075  162.258 RF   78.2 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   29.925   26.470  156.022 RF   78.2 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.732   40.369  165.315 RF   78.1 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   78.1 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   78.0 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   77.9 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  139.502   30.142  154.811 RF   77.9 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   77.9 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.166   59.074  160.520 RF   77.9 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   77.8 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   12.483   21.810  155.358 RF   77.7 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.302   50.743  192.838 RF   77.7 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  214.423   56.768  173.963 RF   77.7 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.853   49.425  194.168 RF   77.7 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   77.6 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   93.410   30.408  100.003 RF   77.6 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.105   29.162  138.969 RF   77.5 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.453   21.186  136.283 RF   77.5 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.306   29.978  154.977 RF   77.4 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   77.3 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  131.617   36.655  164.234 RF   77.3 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   88.596   14.547  113.772 RF   77.2 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   77.2 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  108.160   30.031  138.942 RF   77.2 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.387   20.578  161.440 RF   77.1 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.561   28.504  159.572 RF   77.1 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  353.579   30.665  168.047 RF   77.1 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.078   44.065  153.168 RF   77.1 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.705   28.038  181.965 RF   77.1 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.131   39.299  209.416 RF   77.1 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.087   47.928  196.726 RF   77.1 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.262   28.939  129.773 RF   77.0 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   38.861   16.401  156.062 RF   77.0 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.581   30.297  164.048 RF   77.0 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  210.850   39.450  164.662 RF   76.9 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.614   52.183  186.085 RF   76.9 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.791   30.761  150.363 RF   76.8 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   76.8 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.275   54.297  181.356 RF   76.8 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   43.782   37.374  212.340 RF   76.7 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   82.174   32.079  212.797 RF   76.6 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.227   45.283  158.453 RF   76.6 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  251.757   23.300  178.313 RF   76.5 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.303   26.896  133.601 RF   76.5 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.047   28.565  158.082 RF   76.5 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.257   30.048  168.017 RF   76.5 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  147.239   28.399  136.646 RF   76.5 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.526   31.131  133.953 RF   76.4 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.674   29.315  136.354 RF   76.4 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.279   27.013  139.028 RF   76.4 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.182   36.981  179.693 RF   76.4 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  218.966   34.600  185.712 RF   76.4 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.765   26.601  136.983 RF   76.3 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  177.081   30.634  164.104 RF   76.2 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  233.342   30.768  159.195 RF   76.2 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.683   28.520  158.446 RF   76.2 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   21.857   46.476  196.197 RF   76.2 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.278   40.307  158.593 RF   76.2 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.791   32.132  146.853 RF   76.2 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.560   45.317  156.800 RF   76.2 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.862   32.433  178.320 RF   76.2 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.760   41.761  152.978 RF   76.1 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.296   30.768  159.195 RF   76.1 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.743   34.377  143.791 RF   75.9 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  116.193   13.908   85.859 RF   75.9 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.350   24.444   96.617 RF   75.8 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.583   40.879  160.397 RF   75.7 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.820   38.127  146.797 RF   75.7 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  182.024   40.582  148.556 RF   75.6 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.460   21.314  150.409 RF   75.6 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.828   31.579  154.758 RF   75.5 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.749   32.036  139.851 RF   75.5 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.398   57.665  177.443 RF   75.5 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   25.214   19.891  151.386 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.974   29.645  155.250 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   14.334   23.518  135.651 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   49.289   33.293  141.902 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.308   53.759  154.829 RF   75.4 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  212.936   41.167  203.145 RF   75.4 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  201.232   44.691  195.382 RF   75.4 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.474   32.698  151.429 RF   75.4 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.664   30.768  159.195 RF   75.3 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.392   19.880  167.093 RF   75.3 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  186.873   43.841  170.156 RF   75.2 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.224   25.260  140.714 RF   75.2 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.500   39.817  171.071 RF   75.1 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  191.680   46.966  185.047 RF   75.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.483   42.272  158.790 RF   75.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  137.940   55.679  141.632 RF   75.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.414    5.368  211.612 RF   75.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  215.092   52.358  172.249 RF   75.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  235.914   22.908  223.669 RF   75.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.463   11.731  223.636 RF   75.0 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   17.831   18.414  140.969 RF   74.9 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  270.077   26.844  178.929 RF   74.9 RFZ  2.91 # DEEP

   Scoring 519 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #5 of 8
   0%       100%
   |=========| DONE

   Mean Score (Sigma):       36.75   (10.43)

   SET #5 of 8 TRIAL #35 of 173 (TRIAL #1 of 139 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 226.10  28.67 167.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.673  0.127  0.984     97.705  4.82
   2      0.173  0.627  0.984     97.705  4.82
   3      0.717  0.606  0.105     97.516  4.79
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #35 of 173 (TRIAL #1 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.673  0.127  0.984     84.995  4.82   0.0      2     97.705/    97.705
   2      0.217  0.106  0.105     81.088  4.79  14.5      2     97.516/    97.516
   3      0.332  0.031  0.753     75.574  4.27  24.8      2     94.480/    94.480

   SET #5 of 8 TRIAL #36 of 173 (TRIAL #2 of 139 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler  89.72  37.80 148.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.770  0.419  0.034     95.700  4.95
   2      0.270  0.919  0.034     95.700  4.95
   3      0.734  0.809  0.134     95.571  4.93
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #36 of 173 (TRIAL #2 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.734  0.809  0.134     86.047  4.93   0.0      2     95.571/    95.571
   2      0.266  0.916  0.028     82.614  4.70  10.6      4     94.283/    95.700

   SET #5 of 8 TRIAL #37 of 173 (TRIAL #3 of 139 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 316.81  32.12 167.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.348  0.246  0.426     95.313  4.56
   2      0.848  0.746  0.426     95.313  4.56
   3      0.802  0.864  0.933     94.565  4.43
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #37 of 173 (TRIAL #3 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.848  0.746  0.426     80.131  4.56   0.0      2     95.313/    95.313
   2      0.802  0.864  0.933     76.865  4.43  28.9      2     94.565/    94.565

   SET #5 of 8 TRIAL #38 of 173 (TRIAL #4 of 139 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 286.88  23.04 169.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #39 of 173 (TRIAL #5 of 139 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 276.54  23.49 171.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.644  0.939  0.228     93.400  4.93
   2      0.144  0.439  0.228     93.400  4.93

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #39 of 173 (TRIAL #5 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.144  0.439  0.228     82.165  4.93   0.0      2     93.400/    93.400

   SET #5 of 8 TRIAL #40 of 173 (TRIAL #6 of 139 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 114.47  38.85 151.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.756  0.883  0.245     95.080  5.16
   2      0.256  0.383  0.245     95.080  5.16

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #40 of 173 (TRIAL #6 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.756  0.883  0.245     83.890  5.16   0.0      2     95.080/    95.080

   SET #5 of 8 TRIAL #41 of 173 (TRIAL #7 of 139 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler  56.35  20.61 156.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.432  0.532  0.833     96.784  5.26
   2      0.932  0.032  0.833     96.784  5.26
   3      0.404  0.504  0.295     95.030  4.95
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #41 of 173 (TRIAL #7 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.904  0.004  0.295     83.846  4.95   0.0      2     95.030/    95.030
   2      0.432  0.532  0.833     82.722  5.26  28.8      2     96.784/    96.784
   3      0.386  0.058  0.609     76.677  4.68  31.1      2     93.449/    93.449

   SET #5 of 8 TRIAL #42 of 173 (TRIAL #8 of 139 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 160.97  29.98 141.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.670  0.205  0.166     96.940  4.94
   2      0.170  0.705  0.166     96.940  4.94
   3      0.260  0.636  0.389     96.737  4.90
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #42 of 173 (TRIAL #8 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.828  0.077  0.518     82.047  4.48   0.0      2     94.346/    94.346
   2      0.707  0.131  0.510     80.976  4.67  11.0      2     95.429/    95.429
   3      0.170  0.705  0.166     80.254  4.94  21.8      4     96.940/    96.940
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #43 of 173 (TRIAL #9 of 139 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 350.92  26.21 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.350  0.187  0.150     96.306  5.05
   2      0.850  0.687  0.150     96.306  5.05
   3      0.848  0.691  0.147     95.026  4.84
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #43 of 173 (TRIAL #9 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.350  0.187  0.150     84.807  5.05   0.0      4     96.306/    96.306
   2      0.884  0.729  0.453     74.879  4.78  31.4      2     94.635/    94.635

   SET #5 of 8 TRIAL #44 of 173 (TRIAL #10 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  72.90  36.76 146.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.777  0.365  0.031     96.347  5.03
   2      0.277  0.865  0.031     96.347  5.03
   3      0.781  0.366  0.037     95.725  4.92
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #44 of 173 (TRIAL #10 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.777  0.365  0.031     82.252  5.03   0.0      4     96.347/    96.347

   SET #5 of 8 TRIAL #45 of 173 (TRIAL #11 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 133.57  27.81 141.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.299  0.600  0.190     97.528  5.41
   2      0.799  0.100  0.190     97.528  5.41
   3      0.327  0.629  0.734     94.501  4.90
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #45 of 173 (TRIAL #11 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.799  0.100  0.190     88.809  5.41   0.0      2     97.528/    97.528
   2      0.610  0.321  0.006     79.895  4.72  14.3      4     93.452/    94.054
   3      0.327  0.629  0.734     79.135  4.90  18.8      2     94.501/    94.501

   SET #5 of 8 TRIAL #46 of 173 (TRIAL #12 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 351.88  21.68 148.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.794  0.142  0.258     93.362  5.02
   2      0.294  0.642  0.258     93.362  5.02

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #46 of 173 (TRIAL #12 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.794  0.142  0.258     83.003  5.02   0.0      2     93.362/    93.362

   SET #5 of 8 TRIAL #47 of 173 (TRIAL #13 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 170.10  30.70 141.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 20 sites over 67.5% of top
   20 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.317  0.558  0.520     97.208  4.99
   2      0.817  0.058  0.520     97.208  4.99
   3      0.350  0.113  0.835     97.101  4.97
   #Sites = 20: output truncated to 3 sites

   Top 20 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #47 of 173 (TRIAL #13 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.817  0.058  0.520     84.310  4.99   0.0      4     97.208/    97.208
   2      0.224  0.186  0.832     81.044  4.77  20.3      2     95.958/    95.958
   3      0.661  0.172  0.167     79.441  4.70  17.3      2     95.567/    95.567
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #48 of 173 (TRIAL #14 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 331.02  25.47 151.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.360  0.047  0.447     95.651  4.85
   2      0.860  0.547  0.447     95.651  4.85
   3      0.393  0.035  0.787     95.378  4.81
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #48 of 173 (TRIAL #14 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.687  0.434  0.004     80.749  4.48   0.0      2     93.433/    93.433
   2      0.393  0.035  0.787     80.035  4.81  21.2      2     95.378/    95.378
   3      0.360  0.047  0.447     76.323  4.85  27.6      2     95.651/    95.651

   SET #5 of 8 TRIAL #49 of 173 (TRIAL #15 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  94.86  34.47 153.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.757  0.516  0.048     99.717  5.18
   2      0.257  0.016  0.048     99.717  5.18
   3      0.784  0.944  0.581     97.494  4.81
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #49 of 173 (TRIAL #15 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.784  0.944  0.581     82.152  4.81   0.0      4     97.494/    97.494
   2      0.757  0.516  0.048     76.438  5.18  32.9      2     99.717/    99.717
   3      0.728  0.970  0.684     71.160  4.67  10.7      2     96.644/    96.644
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #50 of 173 (TRIAL #16 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 168.78  39.95 163.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.249  0.733  0.121     95.523  5.28
   2      0.749  0.233  0.121     95.523  5.28
   3      0.360  0.723  0.877     95.081  5.20
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #50 of 173 (TRIAL #16 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.864  0.225  0.883     84.208  4.90   0.0      4     93.349/    95.081
   2      0.249  0.733  0.121     84.020  5.28  15.6      2     95.523/    95.523

   SET #5 of 8 TRIAL #51 of 173 (TRIAL #17 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 246.31  25.15 174.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #52 of 173 (TRIAL #18 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  10.68  27.05 148.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.803  0.229  0.035     94.973  4.85
   2      0.303  0.729  0.035     94.973  4.85
   3      0.562  0.629  0.678     94.894  4.83
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #52 of 173 (TRIAL #18 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.562  0.629  0.678     77.207  4.83   0.0      2     94.894/    94.894
   2      0.856  0.655  0.153     77.194  4.66  24.3      2     93.873/    93.873
   3      0.303  0.729  0.035     73.677  4.85  14.2      2     94.973/    94.973

   SET #5 of 8 TRIAL #53 of 173 (TRIAL #19 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 217.47  27.18 176.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #54 of 173 (TRIAL #20 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 248.33  29.35 162.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.252  0.079  0.865     95.607  4.79
   2      0.752  0.579  0.865     95.607  4.79
   3      0.274  0.213  0.035     95.497  4.77
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #54 of 173 (TRIAL #20 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.252  0.079  0.865     75.954  4.79   0.0      4     95.607/    95.607
   2      0.774  0.713  0.035     75.575  4.77  11.9      2     95.497/    95.497

   SET #5 of 8 TRIAL #55 of 173 (TRIAL #21 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 219.01  39.25 165.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #56 of 173 (TRIAL #22 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 168.90  35.29 142.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #57 of 173 (TRIAL #23 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 296.42  20.58 159.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.811  0.016  0.147     95.910  5.51
   2      0.311  0.516  0.147     95.910  5.51
   3      0.695  0.965  0.134     93.485  5.09
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #57 of 173 (TRIAL #23 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.311  0.516  0.147     83.504  5.51   0.0      2     95.910/    95.910
   2      0.695  0.965  0.134     78.361  5.09  20.5      2     93.485/    93.485

   SET #5 of 8 TRIAL #58 of 173 (TRIAL #24 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 152.55  30.04 150.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 20 sites over 67.5% of top
   20 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.255  0.544  0.387     99.512  5.14
   2      0.755  0.044  0.387     99.512  5.14
   3      0.250  0.548  0.382     98.795  5.03
   #Sites = 20: output truncated to 3 sites

   Top 20 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #58 of 173 (TRIAL #24 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.981  0.756  0.786     84.029  4.48   0.0      4     95.463/    96.272
   2      0.725  0.629  0.822     81.093  4.82  25.3      2     97.496/    97.496
   3      0.755  0.044  0.387     75.052  5.14  21.0      4     99.512/    99.512
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #59 of 173 (TRIAL #25 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 322.82  28.56 160.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.354  0.136  0.436     97.749  5.11
   2      0.854  0.636  0.436     97.749  5.11
   3      0.360  0.132  0.444     97.020  4.99
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #59 of 173 (TRIAL #25 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.854  0.636  0.436     79.985  5.11   0.0      4     97.749/    97.749
   2      0.773  0.602  0.022     78.723  4.87  22.3      4     96.287/    96.287
   3      0.634  0.515  0.883     76.923  4.75  27.1      2     95.553/    95.553
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #60 of 173 (TRIAL #26 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  30.36  24.91 165.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.346  0.486  0.365     93.991  4.72
   2      0.846  0.986  0.365     93.991  4.72
   3      0.840  0.990  0.360     93.966  4.72
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #60 of 173 (TRIAL #26 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.346  0.486  0.365     80.775  4.72   0.0      4     93.991/    93.991

   SET #5 of 8 TRIAL #61 of 173 (TRIAL #27 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 232.62  37.51 171.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #62 of 173 (TRIAL #28 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 204.20  35.14 161.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.698  0.292  0.401     92.064  4.84
   2      0.198  0.792  0.401     92.064  4.84

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #62 of 173 (TRIAL #28 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.698  0.292  0.401     71.892  4.84   0.0      2     92.064/    92.064

   SET #5 of 8 TRIAL #63 of 173 (TRIAL #29 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 260.28  37.31 170.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.426  0.120  0.969     94.892  5.63
   2      0.926  0.620  0.969     94.892  5.63

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #63 of 173 (TRIAL #29 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.926  0.620  0.969     90.668  5.63   0.0      2     94.892/    94.892

   SET #5 of 8 TRIAL #64 of 173 (TRIAL #30 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 285.32  35.80 173.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #65 of 173 (TRIAL #31 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 188.54  36.06 151.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #66 of 173 (TRIAL #32 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 335.56  60.15 153.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #67 of 173 (TRIAL #33 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  27.07  27.83 147.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.399  0.445  0.084     92.619  4.81
   2      0.899  0.945  0.084     92.619  4.81

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #67 of 173 (TRIAL #33 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.899  0.945  0.084     78.583  4.81   0.0      2     92.619/    92.619

   SET #5 of 8 TRIAL #68 of 173 (TRIAL #34 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 163.57  39.98 158.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #69 of 173 (TRIAL #35 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 221.27  34.97 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #70 of 173 (TRIAL #36 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 155.42  39.96 157.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #71 of 173 (TRIAL #37 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 302.48  34.53 174.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #72 of 173 (TRIAL #38 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  74.02  36.08 212.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #73 of 173 (TRIAL #39 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 195.65  35.27 161.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #74 of 173 (TRIAL #40 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 276.77  36.46 172.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #75 of 173 (TRIAL #41 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 248.54  40.68 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #76 of 173 (TRIAL #42 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 174.84  35.22 168.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.364  0.411  0.875     92.965  4.87
   2      0.864  0.911  0.875     92.965  4.87

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #76 of 173 (TRIAL #42 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.364  0.411  0.875     81.974  4.87   0.0      2     92.965/    92.965

   SET #5 of 8 TRIAL #77 of 173 (TRIAL #43 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 183.39  40.20 156.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #78 of 173 (TRIAL #44 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 242.62  48.33 196.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #79 of 173 (TRIAL #45 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 266.84  29.07 162.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.320  0.068  0.978     95.281  4.94
   2      0.820  0.568  0.978     95.281  4.94
   3      0.747  0.084  0.425     93.875  4.71
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #79 of 173 (TRIAL #45 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.827  0.567  0.989     74.215  4.70   0.0      4     93.787/    95.281
   2      0.747  0.084  0.425     68.118  4.71  33.6      2     93.875/    93.875

   SET #5 of 8 TRIAL #80 of 173 (TRIAL #46 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  29.93  26.47 156.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #81 of 173 (TRIAL #47 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 264.73  40.37 165.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #82 of 173 (TRIAL #48 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 165.48  35.57 167.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.656  0.140  0.547     93.568  4.89
   2      0.156  0.640  0.547     93.568  4.89

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #82 of 173 (TRIAL #48 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.656  0.140  0.547     79.026  4.89   0.0      2     93.568/    93.568

   SET #5 of 8 TRIAL #83 of 173 (TRIAL #49 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 352.12  21.60 169.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #84 of 173 (TRIAL #50 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 224.30  30.75 179.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #85 of 173 (TRIAL #51 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 139.50  30.14 154.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 34 sites over 67.5% of top
   34 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.704  0.136  0.878     99.105  5.28
   2      0.204  0.636  0.878     99.105  5.28
   3      0.254  0.530  0.378     98.825  5.24
   #Sites = 34: output truncated to 3 sites

   Top 34 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #85 of 173 (TRIAL #51 of 139 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.181  0.916  0.103     80.124  4.46   0.0      2     93.844/    93.844
   2      0.704  0.136  0.878     78.866  5.28  11.2      4     99.105/    99.105
   3      0.737  0.036  0.829     73.507  4.96   6.5      4     97.012/    97.469
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #86 of 173 (TRIAL #52 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  60.80  26.59 129.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #87 of 173 (TRIAL #53 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 204.17  59.07 160.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #88 of 173 (TRIAL #54 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  42.56  32.81 151.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #89 of 173 (TRIAL #55 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  12.48  21.81 155.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #90 of 173 (TRIAL #56 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 194.30  50.74 192.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #91 of 173 (TRIAL #57 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 214.42  56.77 173.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #92 of 173 (TRIAL #58 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  55.85  49.43 194.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #93 of 173 (TRIAL #59 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  10.94  21.02 165.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #94 of 173 (TRIAL #60 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  93.41  30.41 100.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #95 of 173 (TRIAL #61 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  99.11  29.16 138.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #96 of 173 (TRIAL #62 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  84.45  21.19 136.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #97 of 173 (TRIAL #63 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 130.31  29.98 154.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 24 sites over 67.5% of top
   24 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.715  0.150  0.877     98.795  5.38
   2      0.215  0.650  0.877     98.795  5.38
   3      0.739  0.053  0.817     96.749  5.06
   #Sites = 24: output truncated to 3 sites

   Top 24 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #97 of 173 (TRIAL #63 of 139 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.215  0.650  0.877     79.514  5.38   0.0      4     98.795/    98.795
   2      0.216  0.914  0.377     76.536  4.98  32.3      2     96.223/    96.223
   3      0.262  0.073  0.486     73.112  4.75  29.6      4     94.781/    94.781
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 8 TRIAL #98 of 173 (TRIAL #64 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 207.91  27.89 176.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.342  0.075  0.631     92.970  5.18
   2      0.842  0.575  0.631     92.970  5.18

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #98 of 173 (TRIAL #64 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.842  0.575  0.631     81.595  5.18   0.0      2     92.970/    92.970

   SET #5 of 8 TRIAL #99 of 173 (TRIAL #65 of 139 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 131.62  36.65 164.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.665  0.406  0.934     95.385  5.31
   2      0.165  0.906  0.934     95.385  5.31
   3      0.670  0.412  0.942     93.227  4.94
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #99 of 173 (TRIAL #65 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.665  0.406  0.934     80.738  5.31   0.0      4     95.385/    95.385
   2      0.689  0.832  0.478     79.915  4.91  27.4      2     93.071/    93.071

   SET #5 of 8 TRIAL #100 of 173 (TRIAL #66 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  88.60  14.55 113.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #101 of 173 (TRIAL #67 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  34.98  58.45 174.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #102 of 173 (TRIAL #68 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 108.16  30.03 138.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #103 of 173 (TRIAL #69 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 285.39  20.58 161.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.798  0.997  0.144     94.174  5.76
   2      0.298  0.497  0.144     94.174  5.76
   3      0.794  0.992  0.138     92.123  5.39
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #103 of 173 (TRIAL #69 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.294  0.492  0.138     83.803  5.39   0.0      4     92.123/    94.174

   SET #5 of 8 TRIAL #104 of 173 (TRIAL #70 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 341.56  28.50 159.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.368  0.194  0.444     92.983  4.87
   2      0.868  0.694  0.444     92.983  4.87

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #104 of 173 (TRIAL #70 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.368  0.194  0.444     76.015  4.87   0.0      2     92.983/    92.983

   SET #5 of 8 TRIAL #105 of 173 (TRIAL #71 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 353.58  30.67 168.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.488  0.351  0.777     93.425  4.71
   2      0.988  0.851  0.777     93.425  4.71
   3      0.451  0.769  0.118     93.320  4.70
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #105 of 173 (TRIAL #71 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.951  0.269  0.118     71.214  4.70   0.0      2     93.320/    93.320
   2      0.988  0.851  0.777     65.245  4.71  26.0      2     93.425/    93.425

   SET #5 of 8 TRIAL #106 of 173 (TRIAL #72 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 140.08  44.06 153.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #107 of 173 (TRIAL #73 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 304.70  28.04 181.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #108 of 173 (TRIAL #74 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  37.13  39.30 209.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #109 of 173 (TRIAL #75 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  63.09  47.93 196.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #110 of 173 (TRIAL #76 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  79.26  28.94 129.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #111 of 173 (TRIAL #77 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  38.86  16.40 156.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #112 of 173 (TRIAL #78 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 192.58  30.30 164.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.593  0.255  0.855     95.517  5.11
   2      0.093  0.755  0.855     95.517  5.11

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #112 of 173 (TRIAL #78 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.593  0.255  0.855     82.068  5.11   0.0      2     95.517/    95.517

   SET #5 of 8 TRIAL #113 of 173 (TRIAL #79 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 210.85  39.45 164.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #114 of 173 (TRIAL #80 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 232.61  52.18 186.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #115 of 173 (TRIAL #81 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 170.79  30.76 150.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.467  0.201  0.788     94.229  4.79
   2      0.967  0.701  0.788     94.229  4.79
   3      0.265  0.492  0.940     92.972  4.59
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #115 of 173 (TRIAL #81 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.467  0.201  0.788     81.189  4.79   0.0      2     94.229/    94.229

   SET #5 of 8 TRIAL #116 of 173 (TRIAL #82 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 207.45  29.35 167.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.658  0.176  0.975     93.506  5.06
   2      0.158  0.676  0.975     93.506  5.06

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #116 of 173 (TRIAL #82 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.658  0.176  0.975     78.911  5.06   0.0      2     93.506/    93.506

   SET #5 of 8 TRIAL #117 of 173 (TRIAL #83 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 227.28  54.30 181.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #118 of 173 (TRIAL #84 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  43.78  37.37 212.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.300  0.230  0.696     92.102  5.74
   2      0.800  0.730  0.696     92.102  5.74

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #118 of 173 (TRIAL #84 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.800  0.730  0.696     84.031  5.74   0.0      2     92.102/    92.102

   SET #5 of 8 TRIAL #119 of 173 (TRIAL #85 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  82.17  32.08 212.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #120 of 173 (TRIAL #86 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 206.23  45.28 158.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #121 of 173 (TRIAL #87 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 251.76  23.30 178.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #122 of 173 (TRIAL #88 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  47.30  26.90 133.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #123 of 173 (TRIAL #89 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  19.05  28.56 158.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.392  0.850  0.466     92.482  4.83
   2      0.892  0.350  0.466     92.482  4.83

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #123 of 173 (TRIAL #89 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.892  0.350  0.466     71.639  4.83   0.0      2     92.482/    92.482

   SET #5 of 8 TRIAL #124 of 173 (TRIAL #90 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler   9.26  30.05 168.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.432  0.320  0.573     94.591  4.90
   2      0.932  0.820  0.573     94.591  4.90
   3      0.428  0.324  0.569     94.023  4.80
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #124 of 173 (TRIAL #90 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.432  0.320  0.573     72.372  4.90   0.0      4     94.591/    94.591
   2      0.802  0.400  0.455     70.546  4.70  20.5      2     93.437/    93.437

   SET #5 of 8 TRIAL #125 of 173 (TRIAL #91 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 147.24  28.40 136.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #126 of 173 (TRIAL #92 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  84.53  31.13 133.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.629  0.883  0.495     92.808  5.49
   2      0.129  0.383  0.495     92.808  5.49
   3      0.628  0.461  0.496     91.600  5.29
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #126 of 173 (TRIAL #92 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.629  0.883  0.495     72.210  5.49   0.0      2     92.808/    92.808
   2      0.628  0.461  0.496     69.570  5.29  10.0      2     91.600/    91.600

   SET #5 of 8 TRIAL #127 of 173 (TRIAL #93 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 156.67  29.32 136.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #128 of 173 (TRIAL #94 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  31.28  27.01 139.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.838  0.690  0.581     92.590  5.32
   2      0.338  0.190  0.581     92.590  5.32

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #128 of 173 (TRIAL #94 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.838  0.690  0.581     80.167  5.32   0.0      2     92.590/    92.590

   SET #5 of 8 TRIAL #129 of 173 (TRIAL #95 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 206.18  36.98 179.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #130 of 173 (TRIAL #96 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 218.97  34.60 185.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #131 of 173 (TRIAL #97 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 128.76  26.60 136.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #132 of 173 (TRIAL #98 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 177.08  30.63 164.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.693  0.793  0.077     92.915  4.71
   2      0.193  0.293  0.077     92.915  4.71

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #132 of 173 (TRIAL #98 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.693  0.793  0.077     71.976  4.71   0.0      2     92.915/    92.915

   SET #5 of 8 TRIAL #133 of 173 (TRIAL #99 of 139 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 233.34  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.225  0.160  0.850     96.804  5.39
   2      0.725  0.660  0.850     96.804  5.39
   3      0.234  0.171  0.632     95.318  5.16
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #133 of 173 (TRIAL #99 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.725  0.660  0.850     71.792  5.39   0.0      4     96.804/    96.804
   2      0.452  0.071  0.186     71.411  4.98  17.9      2     94.192/    94.192
   3      0.234  0.171  0.632     65.620  5.16  35.2      2     95.318/    95.318

   SET #5 of 8 TRIAL #134 of 173 (TRIAL #100 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler   9.68  28.52 158.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.393  0.806  0.465     92.141  4.78
   2      0.893  0.306  0.465     92.141  4.78

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #134 of 173 (TRIAL #100 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.893  0.306  0.465     72.183  4.78   0.0      2     92.141/    92.141

   SET #5 of 8 TRIAL #135 of 173 (TRIAL #101 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  21.86  46.48 196.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #136 of 173 (TRIAL #102 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 197.28  40.31 158.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #137 of 173 (TRIAL #103 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 194.79  32.13 146.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.509  0.139  0.913     93.478  4.86
   2      0.009  0.639  0.913     93.478  4.86

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #137 of 173 (TRIAL #103 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.009  0.639  0.913     79.853  4.86   0.0      2     93.478/    93.478

   SET #5 of 8 TRIAL #138 of 173 (TRIAL #104 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 197.56  45.32 156.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #139 of 173 (TRIAL #105 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 206.86  32.43 178.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #140 of 173 (TRIAL #106 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 209.76  41.76 152.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #141 of 173 (TRIAL #107 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 224.30  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.228  0.207  0.632     94.463  5.08
   2      0.728  0.707  0.632     94.463  5.08
   3      0.219  0.189  0.849     94.154  5.04
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #141 of 173 (TRIAL #107 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.946  0.596  0.184     70.835  4.94   0.0      2     93.509/    93.509
   2      0.728  0.707  0.632     69.019  5.08  27.0      2     94.463/    94.463
   3      0.219  0.189  0.849     66.791  5.04  17.1      2     94.154/    94.154

   SET #5 of 8 TRIAL #142 of 173 (TRIAL #108 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  37.74  34.38 143.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #143 of 173 (TRIAL #109 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 116.19  13.91  85.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #144 of 173 (TRIAL #110 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 300.35  24.44  96.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #145 of 173 (TRIAL #111 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 125.58  40.88 160.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #146 of 173 (TRIAL #112 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 136.82  38.13 146.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #147 of 173 (TRIAL #113 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 182.02  40.58 148.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #148 of 173 (TRIAL #114 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  89.46  21.31 150.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #149 of 173 (TRIAL #115 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 209.83  31.58 154.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #150 of 173 (TRIAL #116 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 239.75  32.04 139.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.375  0.203  0.757     96.552  4.67
   2      0.875  0.703  0.757     96.552  4.67
   3      0.662  0.799  0.293     95.259  4.46
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #150 of 173 (TRIAL #116 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.375  0.203  0.757     70.964  4.67   0.0      2     96.552/    96.552
   2      0.373  0.661  0.754     69.580  4.31  10.9      2     94.346/    94.346

   SET #5 of 8 TRIAL #151 of 173 (TRIAL #117 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  42.40  57.67 177.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #152 of 173 (TRIAL #118 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  25.21  19.89 151.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #153 of 173 (TRIAL #119 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 111.97  29.65 155.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.283  0.099  0.484     96.384  5.24
   2      0.783  0.599  0.484     96.384  5.24
   3      0.734  0.071  0.263     94.231  4.90
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #153 of 173 (TRIAL #119 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.783  0.599  0.484     76.045  5.24   0.0      2     96.384/    96.384
   2      0.734  0.071  0.263     71.340  4.90  16.2      2     94.231/    94.231

   SET #5 of 8 TRIAL #154 of 173 (TRIAL #120 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  14.33  23.52 135.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #155 of 173 (TRIAL #121 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  49.29  33.29 141.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.751  0.245  0.917     92.354  5.43
   2      0.251  0.745  0.917     92.354  5.43

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #155 of 173 (TRIAL #121 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.751  0.245  0.917     81.542  5.43   0.0      2     92.354/    92.354

   SET #5 of 8 TRIAL #156 of 173 (TRIAL #122 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 156.31  53.76 154.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #157 of 173 (TRIAL #123 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 212.94  41.17 203.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #158 of 173 (TRIAL #124 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 201.23  44.69 195.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #159 of 173 (TRIAL #125 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 221.47  32.70 151.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #160 of 173 (TRIAL #126 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 296.66  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.302  0.588  0.541     94.132  4.95
   2      0.802  0.088  0.541     94.132  4.95
   3      0.767  0.595  0.315     93.073  4.78
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #5 of 8 TRIAL #160 of 173 (TRIAL #126 of 139 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.802  0.088  0.541     65.127  4.95   0.0      2     94.132/    94.132
   2      0.767  0.595  0.315     64.401  4.78  17.2      2     93.073/    93.073

   SET #5 of 8 TRIAL #161 of 173 (TRIAL #127 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 316.39  19.88 167.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #162 of 173 (TRIAL #128 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 186.87  43.84 170.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #163 of 173 (TRIAL #129 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  52.22  25.26 140.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #164 of 173 (TRIAL #130 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 174.50  39.82 171.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #165 of 173 (TRIAL #131 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 191.68  46.97 185.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #166 of 173 (TRIAL #132 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 242.48  42.27 158.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #167 of 173 (TRIAL #133 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 137.94  55.68 141.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #168 of 173 (TRIAL #134 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 101.41   5.37 211.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #169 of 173 (TRIAL #135 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 215.09  52.36 172.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #170 of 173 (TRIAL #136 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 235.91  22.91 223.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #171 of 173 (TRIAL #137 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  72.46  11.73 223.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #172 of 173 (TRIAL #138 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  17.83  18.41 140.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 8 TRIAL #173 of 173 (TRIAL #139 of 139 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 270.08  26.84 178.93 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring


---------------------------------
DEEP TRANSLATION FUNCTION #6 OF 8
---------------------------------

   125 trial orientations in deep search


   SOLU SET  RFZ=4.6 TFZ=3.4 PAK=0 LLG=58
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  124.5   28.2  182.8 FRAC -0.17 -0.02 -0.49 BFAC -9.05
   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   85.3 RFZ  4.07

   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   85.2 RFZ  4.05

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.424   24.033  161.846 RF   84.4 RFZ  3.96

   SOLU TRIAL ENSEMBLE helix_pdb EULER   51.869   24.857  151.761 RF   84.2 RFZ  3.94

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.535   25.925  148.923 RF   84.2 RFZ  3.94

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   83.9 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   83.6 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   83.4 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   83.2 RFZ  3.83

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   83.1 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   83.0 RFZ  3.81

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.201   26.601  163.128 RF   82.6 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   82.6 RFZ  3.76

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   82.5 RFZ  3.75

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   82.2 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   82.2 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   82.1 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   82.1 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   81.8 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   81.7 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   81.5 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   81.4 RFZ  3.63

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   81.3 RFZ  3.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   81.2 RFZ  3.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   81.1 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   81.1 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   80.9 RFZ  3.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   80.8 RFZ  3.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   80.7 RFZ  3.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   80.7 RFZ  3.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   80.7 RFZ  3.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   80.7 RFZ  3.55 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   80.5 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   80.5 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   80.5 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   80.4 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   80.4 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   80.3 RFZ  3.51 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   80.3 RFZ  3.51 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   80.2 RFZ  3.50 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   80.1 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   80.1 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   80.0 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   79.7 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   79.7 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   79.7 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   79.7 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   79.5 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   79.1 RFZ  3.37 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   79.0 RFZ  3.37 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   78.9 RFZ  3.36 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   78.9 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   78.9 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   78.8 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   78.7 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   78.6 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   78.6 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   78.5 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   78.5 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   29.925   26.470  156.022 RF   78.5 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   78.3 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   78.3 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   74.017   36.083  212.756 RF   78.3 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   78.0 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   78.0 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.853   49.425  194.168 RF   77.9 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   77.9 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   77.8 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.844   29.075  162.258 RF   77.8 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   77.7 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   77.7 RFZ  3.23 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   77.7 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   77.6 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.203   35.142  161.594 RF   77.5 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.561   28.504  159.572 RF   77.4 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.388   40.196  156.612 RF   77.4 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.087   47.928  196.726 RF   77.4 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.683   28.520  158.446 RF   77.4 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.047   28.565  158.082 RF   77.2 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   77.1 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   82.174   32.079  212.797 RF   77.0 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   76.9 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   76.9 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   76.9 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.262   28.939  129.773 RF   76.9 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.398   57.665  177.443 RF   76.8 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.131   39.299  209.416 RF   76.8 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   21.857   46.476  196.197 RF   76.7 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   76.7 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   76.7 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   76.7 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   76.7 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.619   48.334  196.267 RF   76.7 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  108.160   30.031  138.942 RF   76.7 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.649   35.266  161.001 RF   76.6 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.791   30.761  150.363 RF   76.6 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.771   36.460  172.722 RF   76.6 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.296   30.768  159.195 RF   76.4 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   76.4 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  139.502   30.142  154.811 RF   76.3 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   12.483   21.810  155.358 RF   76.3 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.105   29.162  138.969 RF   76.3 RFZ  3.07 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.581   30.297  164.048 RF   76.2 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  147.239   28.399  136.646 RF   76.2 RFZ  3.06 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   76.2 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   76.1 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.279   27.013  139.028 RF   76.1 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.110   30.878  154.447 RF   76.0 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  214.423   56.768  173.963 RF   76.0 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  233.342   30.768  159.195 RF   76.0 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.791   32.132  146.853 RF   76.0 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.560   45.317  156.800 RF   75.9 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   93.410   30.408  100.003 RF   75.9 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.828   31.579  154.758 RF   75.9 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.306   29.978  154.977 RF   75.8 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.341   42.998  110.954 RF   75.8 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.765   26.601  136.983 RF   75.8 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  131.617   36.655  164.234 RF   75.7 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.453   21.186  136.283 RF   75.6 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.182   36.981  179.693 RF   75.6 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  210.850   39.450  164.662 RF   75.6 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  156.674   29.315  136.354 RF   75.6 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.303   26.896  133.601 RF   75.5 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.732   40.369  165.315 RF   75.5 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.227   45.283  158.453 RF   75.5 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.526   31.131  133.953 RF   75.5 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.974   29.645  155.250 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  251.757   23.300  178.313 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   88.596   14.547  113.772 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.463   11.731  223.636 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   75.4 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  306.520   14.352   74.543 RF   75.3 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.387   20.578  161.440 RF   75.3 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.350   24.444   96.617 RF   75.3 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  353.579   30.665  168.047 RF   75.3 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   38.861   16.401  156.062 RF   75.3 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.302   50.743  192.838 RF   75.2 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.705   28.038  181.965 RF   75.2 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.749   32.036  139.851 RF   75.2 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  177.081   30.634  164.104 RF   75.2 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.257   30.048  168.017 RF   75.2 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.724   13.530   93.504 RF   75.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.278   40.307  158.593 RF   75.2 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.078   44.065  153.168 RF   75.1 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.760   41.761  152.978 RF   75.1 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  101.414    5.368  211.612 RF   75.0 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.862   32.433  178.320 RF   75.0 RFZ  2.92 # DEEP

   Scoring 588 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #6 of 8
   0%      100%
   |========| DONE

   Mean Score (Sigma):       35.13   (10.68)

   SET #6 of 8 TRIAL #23 of 147 (TRIAL #1 of 125 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 114.47  38.85 151.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #24 of 147 (TRIAL #2 of 125 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 243.79  38.08 168.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.569  0.407  0.299     92.320  4.89
   2      0.069  0.907  0.299     92.320  4.89

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #24 of 147 (TRIAL #2 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.569  0.407  0.299     80.257  4.89   0.0      2     92.320/    92.320

   SET #6 of 8 TRIAL #25 of 147 (TRIAL #3 of 125 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 332.57  27.01 170.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #26 of 147 (TRIAL #4 of 125 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 125.04  28.98 150.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 26 sites over 67.5% of top
   26 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.497  0.208  0.937     101.94  5.40
   2      0.997  0.708  0.937     101.94  5.40
   3      0.544  0.803  0.049     100.73  5.20
   #Sites = 26: output truncated to 3 sites

   Top 26 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #26 of 147 (TRIAL #4 of 125 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.497  0.208  0.937     78.594  5.40   0.0      2     101.94/    101.94
   2      0.544  0.803  0.049     76.082  5.20  10.6      2     100.73/    100.73
   3      0.497  0.820  0.937     75.259  4.90   9.2      2      98.84/     98.84
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #27 of 147 (TRIAL #5 of 125 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 240.92  26.84 170.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.533  0.566  0.371     97.528  5.32
   2      0.033  0.066  0.371     97.528  5.32
   3      0.602  0.738  0.212     94.801  4.85
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #27 of 147 (TRIAL #5 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.533  0.566  0.371     82.258  5.32   0.0      2     97.528/    97.528
   2      0.602  0.738  0.212     80.310  4.85  15.5      2     94.801/    94.801

   SET #6 of 8 TRIAL #28 of 147 (TRIAL #6 of 125 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 281.57  33.45 166.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.532  0.873  0.979     96.278  4.99
   2      0.032  0.373  0.979     96.278  4.99
   3      0.711  0.779  0.535     93.633  4.55
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #28 of 147 (TRIAL #6 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.532  0.873  0.979     80.162  4.99   0.0      2     96.278/    96.278
   2      0.211  0.279  0.535     78.299  4.55  26.2      2     93.633/    93.633

   SET #6 of 8 TRIAL #29 of 147 (TRIAL #7 of 125 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 290.39  33.10 166.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.496  0.341  0.866     96.111  4.92
   2      0.996  0.841  0.866     96.111  4.92

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #29 of 147 (TRIAL #7 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.996  0.841  0.866     75.104  4.92   0.0      2     96.111/    96.111

   SET #6 of 8 TRIAL #30 of 147 (TRIAL #8 of 125 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler  66.88  34.65 143.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #31 of 147 (TRIAL #9 of 125 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler  89.72  37.80 148.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.584  0.533  0.237     95.786  5.25
   2      0.084  0.033  0.237     95.786  5.25

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #31 of 147 (TRIAL #9 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.084  0.033  0.237     80.560  5.25   0.0      2     95.786/    95.786

   SET #6 of 8 TRIAL #32 of 147 (TRIAL #10 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler   1.14  23.98 157.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.387  0.830  0.216     93.760  4.94
   2      0.887  0.330  0.216     93.760  4.94
   3      0.542  0.897  0.015     92.753  4.78
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #32 of 147 (TRIAL #10 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.387  0.830  0.216     76.601  4.94   0.0      2     93.760/    93.760
   2      0.542  0.897  0.015     75.804  4.78  19.7      2     92.753/    92.753

   SET #6 of 8 TRIAL #33 of 147 (TRIAL #11 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 133.57  27.81 141.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #34 of 147 (TRIAL #12 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 350.92  26.21 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.587  0.870  0.233     92.786  4.62
   2      0.087  0.370  0.233     92.786  4.62
   3      0.377  0.826  0.796     92.780  4.62
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #34 of 147 (TRIAL #12 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.877  0.326  0.796     80.760  4.62   0.0      2     92.780/    92.780

   SET #6 of 8 TRIAL #35 of 147 (TRIAL #13 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 170.10  30.70 141.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.554  0.731  0.849     95.729  4.91
   2      0.054  0.231  0.849     95.729  4.91
   3      0.552  0.731  0.848     95.411  4.85
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #35 of 147 (TRIAL #13 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.554  0.731  0.849     79.612  4.91   0.0      4     95.729/    95.729

   SET #6 of 8 TRIAL #36 of 147 (TRIAL #14 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 238.45  34.59 163.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.485  0.907  0.958     97.806  5.29
   2      0.985  0.407  0.958     97.806  5.29
   3      0.485  0.304  0.957     97.063  5.17
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #36 of 147 (TRIAL #14 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.985  0.407  0.958     78.077  5.29   0.0      4     97.806/    97.806
   2      0.583  0.817  0.413     76.394  4.66  31.8      2     93.985/    93.985
   3      0.985  0.804  0.957     75.022  5.17   9.5      2     97.063/    97.063
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #37 of 147 (TRIAL #15 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  86.17  34.18 153.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 34 sites over 67.5% of top
   34 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.576  0.138  0.029     101.97  5.50
   2      0.076  0.638  0.029     101.97  5.50
   3      0.576  0.582  0.027      99.51  5.09
   #Sites = 34: output truncated to 3 sites

   Top 34 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #37 of 147 (TRIAL #15 of 125 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.914  0.514  0.467     81.536  4.35   0.0      2     94.999/    94.999
   2      0.576  0.138  0.029     80.632  5.50  26.6      2    101.973/   101.973
   3      0.025  0.634  0.916     79.538  4.73  23.4      2     97.287/    97.287
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #38 of 147 (TRIAL #16 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 351.88  21.68 148.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #39 of 147 (TRIAL #17 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 160.97  29.98 141.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #40 of 147 (TRIAL #18 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 231.17  27.28 171.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.591  0.748  0.208     96.356  5.06
   2      0.091  0.248  0.208     96.356  5.06
   3      0.523  0.568  0.370     95.501  4.91
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #40 of 147 (TRIAL #18 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.275  0.647  0.307     79.947  4.80   0.0      2     94.856/    94.856
   2      0.591  0.748  0.208     79.796  5.06  24.8      2     96.356/    96.356
   3      0.524  0.767  0.870     79.754  4.69  27.4      2     94.199/    94.199
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #41 of 147 (TRIAL #19 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 276.54  23.49 171.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.599  0.135  0.109     93.770  5.31
   2      0.099  0.635  0.109     93.770  5.31
   3      0.379  0.099  0.898     93.370  5.24
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #41 of 147 (TRIAL #19 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.099  0.635  0.109     80.648  5.31   0.0      2     93.770/    93.770
   2      0.723  0.143  0.529     79.599  5.05  21.2      2     92.227/    92.227
   3      0.879  0.599  0.898     79.152  5.24   2.5      2     93.370/    93.370

   SET #6 of 8 TRIAL #42 of 147 (TRIAL #20 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 179.38  35.69 151.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.471  0.191  0.947     95.960  5.14
   2      0.971  0.691  0.947     95.960  5.14
   3      0.487  0.654  0.168     94.689  4.93
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #42 of 147 (TRIAL #20 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.487  0.654  0.168     80.804  4.93   0.0      2     94.689/    94.689
   2      0.971  0.691  0.947     78.170  5.14  38.0      2     95.960/    95.960
   3      0.471  0.540  0.946     72.658  4.68  10.5      2     93.185/    93.185

   SET #6 of 8 TRIAL #43 of 147 (TRIAL #21 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 286.88  23.04 169.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #44 of 147 (TRIAL #22 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  72.90  36.76 146.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.484  0.013  0.585     96.651  5.36
   2      0.984  0.513  0.585     96.651  5.36
   3      0.480  0.016  0.577     94.714  5.02
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #44 of 147 (TRIAL #22 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.984  0.513  0.585     85.317  5.36   0.0      4     96.651/    96.651
   2      0.838  0.958  0.241     80.229  4.84  19.7      2     93.703/    93.703

   SET #6 of 8 TRIAL #45 of 147 (TRIAL #23 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  56.35  20.61 156.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #46 of 147 (TRIAL #24 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 226.10  28.67 167.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.304  0.211  0.415     95.124  4.66
   2      0.804  0.711  0.415     95.124  4.66
   3      0.249  0.139  0.533     94.780  4.60
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #46 of 147 (TRIAL #24 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.531  0.332  0.081     77.189  4.46   0.0      2     93.945/    93.945
   2      0.023  0.276  0.089     75.288  4.42  40.9      4     93.740/    94.448
   3      0.576  0.799  0.199     74.842  4.46  12.5      2     93.979/    93.979
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #47 of 147 (TRIAL #25 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 248.33  29.35 162.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.520  0.632  0.363     98.562  5.33
   2      0.020  0.132  0.363     98.562  5.33
   3      0.491  0.318  0.974     96.275  4.96
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #47 of 147 (TRIAL #25 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.520  0.632  0.363     88.598  5.33   0.0      2     98.562/    98.562
   2      0.722  0.157  0.195     78.747  4.66  29.1      2     94.403/    94.403
   3      0.991  0.818  0.974     76.677  4.96  35.2      2     96.275/    96.275
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #48 of 147 (TRIAL #26 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 168.78  39.95 163.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.359  0.957  0.376     95.003  5.47
   2      0.859  0.457  0.376     95.003  5.47

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #48 of 147 (TRIAL #26 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.859  0.457  0.376     82.373  5.47   0.0      2     95.003/    95.003

   SET #6 of 8 TRIAL #49 of 147 (TRIAL #27 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  94.86  34.47 153.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.568  0.164  0.030     100.25  5.52
   2      0.068  0.664  0.030     100.25  5.52
   3      0.568  0.597  0.027      98.18  5.18
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #49 of 147 (TRIAL #27 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.906  0.513  0.470     78.433  4.47   0.0      2     93.877/    93.877
   2      0.568  0.164  0.030     77.455  5.52  26.4      2    100.255/   100.255
   3      0.520  0.150  0.917     76.047  4.71  31.0      2     95.346/    95.346
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #50 of 147 (TRIAL #28 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 168.90  35.29 142.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #51 of 147 (TRIAL #29 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 316.81  32.12 167.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.671  0.309  0.447     95.043  4.90
   2      0.171  0.809  0.447     95.043  4.90
   3      0.545  0.267  0.604     94.256  4.76
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #51 of 147 (TRIAL #29 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.545  0.267  0.604     81.061  4.76   0.0      2     94.256/    94.256
   2      0.671  0.309  0.447     74.484  4.90  18.0      2     95.043/    95.043
   3      0.522  0.918  0.880     74.288  4.66  20.8      2     93.660/    93.660
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #52 of 147 (TRIAL #30 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 219.01  39.25 165.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #53 of 147 (TRIAL #31 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 335.56  60.15 153.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #54 of 147 (TRIAL #32 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 322.82  28.56 160.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.583  0.817  0.334     95.534  4.90
   2      0.083  0.317  0.334     95.534  4.90
   3      0.575  0.750  0.998     95.338  4.87
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #54 of 147 (TRIAL #32 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.583  0.817  0.334     78.158  4.90   0.0      2     95.534/    95.534
   2      0.832  0.179  0.774     74.213  4.53  23.5      4     93.211/    93.211
   3      0.579  0.234  0.998     70.445  4.56  19.0      2     93.362/    93.362
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #55 of 147 (TRIAL #33 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 155.42  39.96 157.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #56 of 147 (TRIAL #34 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 232.62  37.51 171.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #57 of 147 (TRIAL #35 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 246.31  25.15 174.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.358  0.629  0.435     93.269  5.38
   2      0.858  0.129  0.435     93.269  5.38

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #57 of 147 (TRIAL #35 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.358  0.629  0.435     82.427  5.38   0.0      2     93.269/    93.269

   SET #6 of 8 TRIAL #58 of 147 (TRIAL #36 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 260.28  37.31 170.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #59 of 147 (TRIAL #37 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 163.57  39.98 158.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #60 of 147 (TRIAL #38 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  29.93  26.47 156.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #61 of 147 (TRIAL #39 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 331.02  25.47 151.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.659  0.608  0.513     94.780  5.03
   2      0.159  0.108  0.513     94.780  5.03
   3      0.566  0.713  0.787     93.131  4.76
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #61 of 147 (TRIAL #39 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.566  0.713  0.787     77.904  4.76   0.0      2     93.131/    93.131
   2      0.159  0.108  0.513     74.839  5.03  31.0      2     94.780/    94.780
   3      0.128  0.230  0.123     72.089  4.70  27.5      2     92.780/    92.780
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #62 of 147 (TRIAL #40 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  10.68  27.05 148.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #63 of 147 (TRIAL #41 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  74.02  36.08 212.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #64 of 147 (TRIAL #42 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 152.55  30.04 150.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.469  0.534  0.451     96.481  4.90
   2      0.969  0.034  0.451     96.481  4.90
   3      0.448  0.681  0.390     96.325  4.87
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #64 of 147 (TRIAL #42 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.469  0.534  0.451     80.421  4.90   0.0      4     96.481/    96.481
   2      0.691  0.205  0.616     74.993  4.74  14.7      2     95.535/    95.535
   3      0.547  0.250  0.610     74.545  4.52   7.5      2     94.183/    94.183
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #65 of 147 (TRIAL #43 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 221.27  34.97 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.501  0.372  0.732     92.139  4.99
   2      0.001  0.872  0.732     92.139  4.99

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #65 of 147 (TRIAL #43 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.001  0.872  0.732     67.871  4.99   0.0      2     92.139/    92.139

   SET #6 of 8 TRIAL #66 of 147 (TRIAL #44 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  55.85  49.43 194.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #67 of 147 (TRIAL #45 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 217.47  27.18 176.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #68 of 147 (TRIAL #46 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  60.80  26.59 129.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #69 of 147 (TRIAL #47 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 266.84  29.07 162.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.511  0.297  0.978     94.653  4.98
   2      0.011  0.797  0.978     94.653  4.98
   3      0.510  0.735  0.981     94.147  4.90
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #69 of 147 (TRIAL #47 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.045  0.109  0.376     81.128  4.66   0.0      2     92.693/    92.693
   2      0.513  0.736  0.984     73.566  4.73  35.8      4     93.116/    94.147
   3      0.013  0.803  0.982     73.483  4.73  20.9      4     93.131/    94.653

   SET #6 of 8 TRIAL #70 of 147 (TRIAL #48 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 248.54  40.68 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #71 of 147 (TRIAL #49 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  42.56  32.81 151.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.549  0.435  0.906     99.258  5.71
   2      0.049  0.935  0.906     99.258  5.71
   3      0.516  0.471  0.348     96.397  5.24
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #71 of 147 (TRIAL #49 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.049  0.258  0.405     76.729  5.01   0.0      2     95.039/    95.039
   2      0.577  0.032  0.795     76.573  4.92  35.3      2     94.523/    94.523
   3      0.549  0.435  0.906     74.510  5.71  35.5      2     99.258/    99.258
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #72 of 147 (TRIAL #50 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 188.54  36.06 151.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.491  0.109  0.503     93.123  5.20
   2      0.991  0.609  0.503     93.123  5.20
   3      0.489  0.685  0.502     92.392  5.08
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #72 of 147 (TRIAL #50 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.989  0.185  0.502     72.999  5.08   0.0      2     92.392/    92.392
   2      0.491  0.109  0.503     70.916  5.20  44.2      2     93.123/    93.123

   SET #6 of 8 TRIAL #73 of 147 (TRIAL #51 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 296.42  20.58 159.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #74 of 147 (TRIAL #52 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 204.20  35.14 161.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #75 of 147 (TRIAL #53 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 341.56  28.50 159.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.594  0.310  0.001     92.659  4.91
   2      0.094  0.810  0.001     92.659  4.91

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #75 of 147 (TRIAL #53 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.594  0.310  0.001     68.592  4.91   0.0      2     92.659/    92.659

   SET #6 of 8 TRIAL #76 of 147 (TRIAL #54 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 183.39  40.20 156.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.516  0.078  0.717     91.482  5.33
   2      0.016  0.578  0.717     91.482  5.33

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #76 of 147 (TRIAL #54 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.516  0.078  0.717     77.549  5.33   0.0      2     91.482/    91.482

   SET #6 of 8 TRIAL #77 of 147 (TRIAL #55 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  63.09  47.93 196.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #78 of 147 (TRIAL #56 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler   9.68  28.52 158.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.542  0.935  0.679     94.795  5.20
   2      0.042  0.435  0.679     94.795  5.20

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #78 of 147 (TRIAL #56 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.542  0.935  0.679     77.993  5.20   0.0      2     94.795/    94.795

   SET #6 of 8 TRIAL #79 of 147 (TRIAL #57 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  19.05  28.56 158.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.542  0.982  0.681     93.237  4.98
   2      0.042  0.482  0.681     93.237  4.98

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #79 of 147 (TRIAL #57 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.542  0.982  0.681     77.113  4.98   0.0      2     93.237/    93.237

   SET #6 of 8 TRIAL #80 of 147 (TRIAL #58 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 285.32  35.80 173.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #81 of 147 (TRIAL #59 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  82.17  32.08 212.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #82 of 147 (TRIAL #60 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 302.48  34.53 174.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #83 of 147 (TRIAL #61 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  34.98  58.45 174.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #84 of 147 (TRIAL #62 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  30.36  24.91 165.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.656  0.128  0.144     92.905  4.95
   2      0.156  0.628  0.144     92.905  4.95
   3      0.365  0.388  0.531     92.767  4.93
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #84 of 147 (TRIAL #62 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.365  0.388  0.531     74.269  4.93   0.0      2     92.767/    92.767
   2      0.656  0.128  0.144     72.490  4.95  22.8      2     92.905/    92.905

   SET #6 of 8 TRIAL #85 of 147 (TRIAL #63 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  79.26  28.94 129.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #86 of 147 (TRIAL #64 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  42.40  57.67 177.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #87 of 147 (TRIAL #65 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  37.13  39.30 209.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #88 of 147 (TRIAL #66 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  21.86  46.48 196.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #89 of 147 (TRIAL #67 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  10.94  21.02 165.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #90 of 147 (TRIAL #68 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 352.12  21.60 169.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #91 of 147 (TRIAL #69 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 174.84  35.22 168.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #92 of 147 (TRIAL #70 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  27.07  27.83 147.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.369  0.117  0.521     94.950  5.56
   2      0.869  0.617  0.521     94.950  5.56

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #92 of 147 (TRIAL #70 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.369  0.117  0.521     72.490  5.56   0.0      2     94.950/    94.950

   SET #6 of 8 TRIAL #93 of 147 (TRIAL #71 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 242.62  48.33 196.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #94 of 147 (TRIAL #72 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 108.16  30.03 138.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #95 of 147 (TRIAL #73 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 195.65  35.27 161.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #96 of 147 (TRIAL #74 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 170.79  30.76 150.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.506  0.117  0.058     97.398  5.46
   2      0.006  0.617  0.058     97.398  5.46
   3      0.458  0.145  0.948     94.856  5.04
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #96 of 147 (TRIAL #74 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.006  0.617  0.058     73.977  5.46   0.0      2     97.398/    97.398
   2      0.458  0.145  0.948     69.119  5.04  44.0      2     94.856/    94.856

   SET #6 of 8 TRIAL #97 of 147 (TRIAL #75 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 276.77  36.46 172.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #98 of 147 (TRIAL #76 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 224.30  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #99 of 147 (TRIAL #77 of 125 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 165.48  35.57 167.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.303  0.937  0.392     92.705  5.13
   2      0.803  0.437  0.392     92.705  5.13

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #99 of 147 (TRIAL #77 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.303  0.937  0.392     85.409  5.13   0.0      2     92.705/    92.705

   SET #6 of 8 TRIAL #100 of 147 (TRIAL #78 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 139.50  30.14 154.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.705  0.137  0.378     98.943  5.53
   2      0.205  0.637  0.378     98.943  5.53
   3      0.470  0.160  0.933     96.855  5.21
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #100 of 147 (TRIAL #78 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.966  0.004  0.437     80.621  5.10   0.0      4     96.176/    96.176
   2      0.705  0.137  0.378     75.148  5.53  22.2      2     98.943/    98.943
   3      0.705  0.959  0.878     71.604  4.91  27.2      2     94.934/    94.934
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #101 of 147 (TRIAL #79 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  12.48  21.81 155.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #102 of 147 (TRIAL #80 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  99.11  29.16 138.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #103 of 147 (TRIAL #81 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 192.58  30.30 164.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.497  0.927  0.072     94.486  5.12
   2      0.997  0.427  0.072     94.486  5.12
   3      0.235  0.386  0.287     93.293  4.93
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #103 of 147 (TRIAL #81 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.997  0.427  0.072     73.836  5.12   0.0      2     94.486/    94.486
   2      0.735  0.886  0.287     72.818  4.93  36.4      2     93.293/    93.293
   3      0.735  0.314  0.285     72.447  4.91  34.6      2     93.185/    93.185
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #104 of 147 (TRIAL #82 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 147.24  28.40 136.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #105 of 147 (TRIAL #83 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 207.91  27.89 176.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #106 of 147 (TRIAL #84 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 224.30  30.75 179.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #107 of 147 (TRIAL #85 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  31.28  27.01 139.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #108 of 147 (TRIAL #86 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 176.11  30.88 154.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.501  0.046  0.058     92.019  4.77
   2      0.001  0.546  0.058     92.019  4.77

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #108 of 147 (TRIAL #86 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.501  0.046  0.058     70.274  4.77   0.0      2     92.019/    92.019

   SET #6 of 8 TRIAL #109 of 147 (TRIAL #87 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 214.42  56.77 173.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #110 of 147 (TRIAL #88 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 233.34  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #111 of 147 (TRIAL #89 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 194.79  32.13 146.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.551  0.080  0.410     92.412  4.85
   2      0.051  0.580  0.410     92.412  4.85

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #111 of 147 (TRIAL #89 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.051  0.580  0.410     74.445  4.85   0.0      2     92.412/    92.412

   SET #6 of 8 TRIAL #112 of 147 (TRIAL #90 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 197.56  45.32 156.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #113 of 147 (TRIAL #91 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  93.41  30.41 100.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #114 of 147 (TRIAL #92 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 209.83  31.58 154.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #115 of 147 (TRIAL #93 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 130.31  29.98 154.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.479  0.167  0.932     97.420  5.42
   2      0.979  0.667  0.932     97.420  5.42
   3      0.715  0.159  0.378     96.447  5.27
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #115 of 147 (TRIAL #93 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.479  0.167  0.932     70.965  5.42   0.0      2     97.420/    97.420
   2      0.715  0.159  0.378     69.551  5.27  15.9      2     96.447/    96.447
   3      0.715  0.970  0.877     69.538  4.94  24.6      2     94.320/    94.320
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #116 of 147 (TRIAL #94 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 287.34  43.00 110.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #117 of 147 (TRIAL #95 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 128.76  26.60 136.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #118 of 147 (TRIAL #96 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 131.62  36.65 164.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #119 of 147 (TRIAL #97 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  84.45  21.19 136.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #120 of 147 (TRIAL #98 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 206.18  36.98 179.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #121 of 147 (TRIAL #99 of 125 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 210.85  39.45 164.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #122 of 147 (TRIAL #100 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 156.67  29.32 136.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #123 of 147 (TRIAL #101 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  47.30  26.90 133.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #124 of 147 (TRIAL #102 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 264.73  40.37 165.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #125 of 147 (TRIAL #103 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 206.23  45.28 158.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #126 of 147 (TRIAL #104 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  84.53  31.13 133.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #127 of 147 (TRIAL #105 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 111.97  29.65 155.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.547  0.217  0.044     94.623  5.04
   2      0.047  0.717  0.044     94.623  5.04
   3      0.528  0.668  0.486     93.957  4.93
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #127 of 147 (TRIAL #105 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.528  0.668  0.486     73.082  4.93   0.0      2     93.957/    93.957
   2      0.547  0.217  0.044     71.246  5.04  31.1      2     94.623/    94.623
   3      0.527  0.272  0.486     68.976  4.64   9.4      2     92.111/    92.111
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #128 of 147 (TRIAL #106 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 251.76  23.30 178.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #129 of 147 (TRIAL #107 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  88.60  14.55 113.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #130 of 147 (TRIAL #108 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  72.46  11.73 223.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #131 of 147 (TRIAL #109 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 207.45  29.35 167.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #132 of 147 (TRIAL #110 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 306.52  14.35  74.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #133 of 147 (TRIAL #111 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 285.39  20.58 161.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #134 of 147 (TRIAL #112 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 300.35  24.44  96.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #135 of 147 (TRIAL #113 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 353.58  30.67 168.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.489  0.531  0.775     97.774  5.81
   2      0.989  0.031  0.775     97.774  5.81
   3      0.490  0.114  0.775     95.438  5.41
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #135 of 147 (TRIAL #113 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.859  0.430  0.789     78.583  4.94   0.0      2     92.708/    92.708
   2      0.989  0.031  0.775     77.934  5.81  15.7      4     97.774/    97.774
   3      0.990  0.614  0.775     73.254  5.41  13.3      2     95.438/    95.438
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #136 of 147 (TRIAL #114 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  38.86  16.40 156.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #137 of 147 (TRIAL #115 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 194.30  50.74 192.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #138 of 147 (TRIAL #116 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 304.70  28.04 181.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #139 of 147 (TRIAL #117 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 239.75  32.04 139.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 40 sites over 67.5% of top
   40 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.518  0.408  0.642     102.33  5.71
   2      0.018  0.908  0.642     102.33  5.71
   3      0.530  0.971  0.189      98.60  5.12
   #Sites = 40: output truncated to 3 sites

   Top 40 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #139 of 147 (TRIAL #117 of 125 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.018  0.908  0.642     69.150  5.71   0.0      6     102.33/    102.33
   2      0.643  0.721  0.921     68.258  4.34  35.6      2      93.80/     93.80
   3      0.536  0.427  0.421     66.674  4.35  38.7      2      93.86/     93.86
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 8 TRIAL #140 of 147 (TRIAL #118 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 177.08  30.63 164.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #141 of 147 (TRIAL #119 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler   9.26  30.05 168.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.806  0.431  0.683     92.605  4.90
   2      0.306  0.931  0.683     92.605  4.90
   3      0.762  0.040  0.574     92.407  4.87
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #6 of 8 TRIAL #141 of 147 (TRIAL #119 of 125 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.762  0.040  0.574     78.584  4.87   0.0      2     92.407/    92.407
   2      0.306  0.931  0.683     77.425  4.90  13.4      2     92.605/    92.605

   SET #6 of 8 TRIAL #142 of 147 (TRIAL #120 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 287.72  13.53  93.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #143 of 147 (TRIAL #121 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 197.28  40.31 158.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #144 of 147 (TRIAL #122 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 140.08  44.06 153.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #145 of 147 (TRIAL #123 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 209.76  41.76 152.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #146 of 147 (TRIAL #124 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 101.41   5.37 211.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 8 TRIAL #147 of 147 (TRIAL #125 of 125 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 206.86  32.43 178.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring


---------------------------------
DEEP TRANSLATION FUNCTION #7 OF 8
---------------------------------

   122 trial orientations in deep search


   SOLU SET  RFZ=4.6 TFZ=3.2 PAK=0 LLG=57
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  122.2   28.7  181.6 FRAC -0.43  0.49 -0.50 BFAC -9.06
   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   87.1 RFZ  4.25

   SOLU TRIAL ENSEMBLE helix_pdb EULER   51.869   24.857  151.761 RF   85.9 RFZ  4.12

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   85.8 RFZ  4.11

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   85.3 RFZ  4.06

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.424   24.033  161.846 RF   84.9 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.535   25.925  148.923 RF   84.6 RFZ  3.97

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   84.1 RFZ  3.92

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   84.0 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   83.9 RFZ  3.91

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   83.9 RFZ  3.90

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.201   26.601  163.128 RF   83.9 RFZ  3.90

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   83.6 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   83.6 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   83.6 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   83.2 RFZ  3.82

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   82.6 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   82.4 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   82.4 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   82.4 RFZ  3.74

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   82.3 RFZ  3.73

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   82.0 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   81.9 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   81.9 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   81.8 RFZ  3.68

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   81.8 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   81.8 RFZ  3.67

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   81.6 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   81.6 RFZ  3.65

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   81.5 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   81.5 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   81.5 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   81.3 RFZ  3.62 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   81.2 RFZ  3.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   81.2 RFZ  3.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   81.2 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   81.1 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   81.1 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   81.1 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   80.9 RFZ  3.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   80.8 RFZ  3.57 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   80.7 RFZ  3.56 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   80.6 RFZ  3.55 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   80.4 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   80.4 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   80.3 RFZ  3.52 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   80.3 RFZ  3.51 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   80.3 RFZ  3.51 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   80.2 RFZ  3.50 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   80.1 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   80.0 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   80.0 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   29.925   26.470  156.022 RF   79.8 RFZ  3.45 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   79.7 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   79.6 RFZ  3.44 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   79.5 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   79.5 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   79.4 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   79.4 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   79.2 RFZ  3.40 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   79.2 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   79.1 RFZ  3.38 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   79.1 RFZ  3.38 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   79.1 RFZ  3.38 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   79.0 RFZ  3.37 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   79.0 RFZ  3.37 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.203   35.142  161.594 RF   79.0 RFZ  3.37 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   78.8 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  183.388   40.196  156.612 RF   78.5 RFZ  3.32 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  108.160   30.031  138.942 RF   78.5 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.844   29.075  162.258 RF   78.4 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   78.3 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   78.3 RFZ  3.30 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   78.2 RFZ  3.29 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   78.2 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   99.105   29.162  138.969 RF   78.1 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  195.649   35.266  161.001 RF   78.1 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   12.483   21.810  155.358 RF   77.9 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.453   21.186  136.283 RF   77.9 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  341.561   28.504  159.572 RF   77.8 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   74.017   36.083  212.756 RF   77.8 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   19.047   28.565  158.082 RF   77.6 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   79.262   28.939  129.773 RF   77.5 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   77.5 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   77.5 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  242.619   48.334  196.267 RF   77.5 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   55.853   49.425  194.168 RF   77.3 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   77.3 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  204.166   59.074  160.520 RF   77.3 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   77.3 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.791   30.761  150.363 RF   77.2 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  139.502   30.142  154.811 RF   77.2 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.683   28.520  158.446 RF   77.2 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.306   29.978  154.977 RF   77.2 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   77.1 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   93.410   30.408  100.003 RF   77.1 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.398   57.665  177.443 RF   77.1 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   77.1 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   77.0 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.227   45.283  158.453 RF   76.8 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.560   45.317  156.800 RF   76.8 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  210.850   39.450  164.662 RF   76.8 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  197.278   40.307  158.593 RF   76.7 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   76.7 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   84.526   31.131  133.953 RF   76.6 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  140.078   44.065  153.168 RF   76.5 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.771   36.460  172.722 RF   76.5 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   76.4 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.302   50.743  192.838 RF   76.4 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  192.581   30.297  164.048 RF   76.4 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   76.4 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   88.596   14.547  113.772 RF   76.1 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   82.174   32.079  212.797 RF   76.1 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   76.0 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   38.861   16.401  156.062 RF   76.0 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.182   36.981  179.693 RF   76.0 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  287.724   13.530   93.504 RF   76.0 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.296   30.768  159.195 RF   75.9 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  353.579   30.665  168.047 RF   75.9 RFZ  3.04 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  214.423   56.768  173.963 RF   75.8 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   25.214   19.891  151.386 RF   75.8 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   31.279   27.013  139.028 RF   75.8 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  264.732   40.369  165.315 RF   75.7 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  227.275   54.297  181.356 RF   75.7 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   75.7 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  147.239   28.399  136.646 RF   75.6 RFZ  3.01 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.463   11.731  223.636 RF   75.6 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  270.077   26.844  178.929 RF   75.6 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  177.081   30.634  164.104 RF   75.6 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  194.791   32.132  146.853 RF   75.5 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  239.749   32.036  139.851 RF   75.5 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  176.110   30.878  154.447 RF   75.4 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  218.966   34.600  185.712 RF   75.4 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  111.974   29.645  155.250 RF   75.4 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   47.303   26.896  133.601 RF   75.4 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  120.330   37.137  144.780 RF   75.4 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  233.342   30.768  159.195 RF   75.4 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    9.257   30.048  168.017 RF   75.3 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  304.705   28.038  181.965 RF   75.3 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.387   20.578  161.440 RF   75.2 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   52.224   25.260  140.714 RF   75.2 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.820   38.127  146.797 RF   75.2 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  131.617   36.655  164.234 RF   75.2 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.392   19.880  167.093 RF   75.2 RFZ  2.96 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  128.765   26.601  136.983 RF   75.1 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.760   41.761  152.978 RF   75.1 RFZ  2.95 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  206.862   32.433  178.320 RF   75.1 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  209.828   31.579  154.758 RF   75.0 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   37.299   19.821  136.813 RF   75.0 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  186.873   43.841  170.156 RF   75.0 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.049   35.847  175.245 RF   74.9 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  306.520   14.352   74.543 RF   74.9 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  263.507   21.063  136.319 RF   74.9 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  300.350   24.444   96.617 RF   74.9 RFZ  2.93 # DEEP

   Scoring 612 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #7 of 8
   0%      100%
   |========| DONE

   Mean Score (Sigma):       32.64   (10.48)

   SET #7 of 8 TRIAL #32 of 153 (TRIAL #1 of 122 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 231.17  27.28 171.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.741  0.189  0.976     95.775  4.82
   2      0.241  0.689  0.976     95.775  4.82

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #32 of 153 (TRIAL #1 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.241  0.689  0.976     77.336  4.82   0.0      2     95.775/    95.775

   SET #7 of 8 TRIAL #33 of 153 (TRIAL #2 of 122 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 286.88  23.04 169.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #34 of 153 (TRIAL #3 of 122 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler  66.88  34.65 143.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.735  0.992  0.581     94.046  4.76
   2      0.235  0.492  0.581     94.046  4.76

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #34 of 153 (TRIAL #3 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.735  0.992  0.581     79.345  4.76   0.0      2     94.046/    94.046

   SET #7 of 8 TRIAL #35 of 153 (TRIAL #4 of 122 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 179.38  35.69 151.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.347  0.631  0.382     94.824  4.82
   2      0.847  0.131  0.382     94.824  4.82
   3      0.352  0.633  0.391     94.603  4.78
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #35 of 153 (TRIAL #4 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.831  0.117  0.931     83.730  4.59   0.0      2     93.453/    93.453
   2      0.347  0.631  0.382     83.458  4.82  19.4      4     94.824/    94.824
   3      0.851  0.931  0.894     83.111  4.58   5.8      2     93.403/    93.403
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #36 of 153 (TRIAL #5 of 122 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler  86.17  34.18 153.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 34 sites over 67.5% of top
   34 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.734  0.574  0.803     104.00  5.70
   2      0.234  0.074  0.803     104.00  5.70
   3      0.727  0.577  0.794     102.92  5.53
   #Sites = 34: output truncated to 3 sites

   Top 34 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #36 of 153 (TRIAL #5 of 122 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.734  0.574  0.803     85.571  5.70   0.0      8     104.00/    104.00
   2      0.462  0.171  0.821     81.009  4.58  27.6      2      97.10/     97.10
   3      0.662  0.069  0.924     80.830  4.87  17.5      2      98.85/     98.85
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #37 of 153 (TRIAL #6 of 122 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 276.54  23.49 171.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #38 of 153 (TRIAL #7 of 122 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 136.29  40.23 158.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.620  0.028  0.477     95.523  5.17
   2      0.120  0.528  0.477     95.523  5.17
   3      0.705  0.503  0.810     93.286  4.79
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #38 of 153 (TRIAL #7 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.620  0.028  0.477     85.654  5.17   0.0      2     95.523/    95.523

   SET #7 of 8 TRIAL #39 of 153 (TRIAL #8 of 122 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 350.92  26.21 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.839  0.364  0.460     94.800  4.84
   2      0.339  0.864  0.460     94.800  4.84

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #39 of 153 (TRIAL #8 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.839  0.364  0.460     71.283  4.84   0.0      2     94.800/    94.800

   SET #7 of 8 TRIAL #40 of 153 (TRIAL #9 of 122 deep)
   ---------------------------------------------------
   Ensemble helix_pdb Euler 170.10  30.70 141.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.708  0.740  0.399     94.287  4.60
   2      0.208  0.240  0.399     94.287  4.60

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #40 of 153 (TRIAL #9 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.708  0.740  0.399     79.534  4.60   0.0      2     94.287/    94.287

   SET #7 of 8 TRIAL #41 of 153 (TRIAL #10 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 226.10  28.67 167.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.604  0.754  0.523     98.424  5.09
   2      0.104  0.254  0.523     98.424  5.09
   3      0.231  0.727  0.971     97.336  4.91
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #41 of 153 (TRIAL #10 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.104  0.254  0.523     83.892  5.09   0.0      2     98.424/    98.424
   2      0.239  0.722  0.977     76.771  4.85  25.5      6     96.997/    97.336
   3      0.809  0.274  0.651     76.243  4.37  17.3      4     94.085/    95.338
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #42 of 153 (TRIAL #11 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 168.78  39.95 163.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.647  0.436  0.708     92.776  4.93
   2      0.147  0.936  0.708     92.776  4.93

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #42 of 153 (TRIAL #11 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.647  0.436  0.708     74.959  4.93   0.0      2     92.776/    92.776

   SET #7 of 8 TRIAL #43 of 153 (TRIAL #12 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 160.97  29.98 141.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.281  0.827  0.068     96.576  5.08
   2      0.781  0.327  0.068     96.576  5.08
   3      0.742  0.159  0.689     93.839  4.60
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #43 of 153 (TRIAL #12 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.242  0.659  0.689     87.445  4.60   0.0      2     93.839/    93.839
   2      0.281  0.827  0.068     76.988  5.08  22.3      2     96.576/    96.576

   SET #7 of 8 TRIAL #44 of 153 (TRIAL #13 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  72.90  36.76 146.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.658  0.966  0.360     97.050  5.34
   2      0.158  0.466  0.360     97.050  5.34

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #44 of 153 (TRIAL #13 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.158  0.466  0.360     80.262  5.34   0.0      2     97.050/    97.050

   SET #7 of 8 TRIAL #45 of 153 (TRIAL #14 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 133.57  27.81 141.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.611  0.710  0.503     92.975  4.81
   2      0.111  0.210  0.503     92.975  4.81

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #45 of 153 (TRIAL #14 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.611  0.710  0.503     80.782  4.81   0.0      2     92.975/    92.975

   SET #7 of 8 TRIAL #46 of 153 (TRIAL #15 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  56.35  20.61 156.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.395  0.280  0.607     94.344  5.07
   2      0.895  0.780  0.607     94.344  5.07
   3      0.370  0.447  0.548     94.022  5.02
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #46 of 153 (TRIAL #15 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.870  0.947  0.548     80.856  5.02   0.0      2     94.022/    94.022
   2      0.986  0.766  0.026     78.301  4.92  25.2      2     93.439/    93.439
   3      0.395  0.280  0.607     75.633  5.07  21.2      4     94.344/    94.344

   SET #7 of 8 TRIAL #47 of 153 (TRIAL #16 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 351.88  21.68 148.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #48 of 153 (TRIAL #17 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 155.42  39.96 157.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.543  0.032  0.262     92.225  5.09
   2      0.043  0.532  0.262     92.225  5.09

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #48 of 153 (TRIAL #17 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.043  0.532  0.262     82.836  5.09   0.0      2     92.225/    92.225

   SET #7 of 8 TRIAL #49 of 153 (TRIAL #18 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 219.01  39.25 165.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #50 of 153 (TRIAL #19 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 232.62  37.51 171.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #51 of 153 (TRIAL #20 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 248.33  29.35 162.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 26 sites over 67.5% of top
   26 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.516  0.953  0.031     95.740  4.83
   2      0.016  0.453  0.031     95.740  4.83
   3      0.526  0.719  0.307     94.924  4.70
   #Sites = 26: output truncated to 3 sites

   Top 26 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #51 of 153 (TRIAL #20 of 122 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.902  0.637  0.580     80.308  4.68   0.0      2     94.842/    94.842
   2      0.522  0.719  0.305     75.315  4.48  27.3      6     93.545/    94.924
   3      0.973  0.672  0.195     75.159  4.55  29.2      2     93.980/    93.980
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #52 of 153 (TRIAL #21 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  29.93  26.47 156.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.819  0.515  0.912     94.056  5.04
   2      0.319  0.015  0.912     94.056  5.04
   3      0.389  0.013  0.587     93.949  5.02
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #52 of 153 (TRIAL #21 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.318  0.611  0.916     76.188  4.86   0.0      2     92.961/    92.961
   2      0.389  0.013  0.587     75.979  5.02  27.4      2     93.949/    93.949
   3      0.870  0.102  0.031     73.157  4.80  23.0      4     92.597/    92.792
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #53 of 153 (TRIAL #22 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 163.57  39.98 158.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #54 of 153 (TRIAL #23 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  94.86  34.47 153.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 24 sites over 67.5% of top
   24 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.726  0.588  0.804     103.69  5.97
   2      0.226  0.088  0.804     103.69  5.97
   3      0.774  0.611  0.914      99.87  5.35
   #Sites = 24: output truncated to 3 sites

   Top 24 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #54 of 153 (TRIAL #23 of 122 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.728  0.587  0.806     85.358  4.86   0.0      6     96.880/   103.692
   2      0.711  0.999  0.636     78.041  4.44  13.9      2     94.270/    94.270
   3      0.278  0.110  0.919     75.940  4.76  44.8      2     96.294/    96.294
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #55 of 153 (TRIAL #24 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  10.68  27.05 148.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.365  0.411  0.018     95.771  5.14
   2      0.865  0.911  0.018     95.771  5.14
   3      0.843  0.365  0.462     95.038  5.02
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #55 of 153 (TRIAL #24 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.647  0.793  0.348     82.143  4.77   0.0      2     93.542/    93.542
   2      0.201  0.306  0.919     80.982  4.72  30.4      2     93.248/    93.248
   3      0.865  0.911  0.018     79.205  5.14  33.4      2     95.771/    95.771
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #56 of 153 (TRIAL #25 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 316.81  32.12 167.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.494  0.326  0.096     95.928  4.93
   2      0.994  0.826  0.096     95.928  4.93
   3      0.503  0.315  0.102     93.894  4.59
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #56 of 153 (TRIAL #25 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.994  0.826  0.096     80.242  4.93   0.0      4     95.928/    95.928

   SET #7 of 8 TRIAL #57 of 153 (TRIAL #26 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 335.56  60.15 153.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #58 of 153 (TRIAL #27 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 221.27  34.97 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.730  0.952  0.958     95.842  5.42
   2      0.230  0.452  0.958     95.842  5.42
   3      0.731  0.359  0.957     93.995  5.12
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #58 of 153 (TRIAL #27 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.730  0.952  0.958     77.792  5.42   0.0      2     95.842/    95.842
   2      0.284  0.130  0.576     75.519  4.87  31.9      2     92.467/    92.467
   3      0.731  0.359  0.957     68.065  5.12   9.7      2     93.995/    93.995

   SET #7 of 8 TRIAL #59 of 153 (TRIAL #28 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 188.54  36.06 151.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.721  0.595  0.948     92.234  4.92
   2      0.221  0.095  0.948     92.234  4.92

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #59 of 153 (TRIAL #28 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.721  0.595  0.948     68.232  4.92   0.0      2     92.234/    92.234

   SET #7 of 8 TRIAL #60 of 153 (TRIAL #29 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 168.90  35.29 142.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #61 of 153 (TRIAL #30 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 152.55  30.04 150.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 28 sites over 67.5% of top
   28 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.707  0.685  0.391     98.843  5.17
   2      0.207  0.185  0.391     98.843  5.17
   3      0.700  0.686  0.383     98.097  5.05
   #Sites = 28: output truncated to 3 sites

   Top 28 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #61 of 153 (TRIAL #30 of 122 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.884  0.179  0.043     78.592  4.73   0.0      2     96.121/    96.121
   2      0.707  0.685  0.391     77.303  5.17  35.3      4     98.843/    98.843
   3      0.496  0.119  0.499     72.626  4.64  29.3      4     95.567/    95.567
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #62 of 153 (TRIAL #31 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 322.82  28.56 160.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.338  0.746  0.006     95.722  4.86
   2      0.838  0.246  0.006     95.722  4.86
   3      0.332  0.749  0.999     95.645  4.85
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #62 of 153 (TRIAL #31 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.083  0.728  0.331     77.740  4.57   0.0      2     93.875/    93.875
   2      0.760  0.283  0.332     73.645  4.57  19.5      4     93.889/    93.889
   3      0.784  0.844  0.887     73.476  4.55  23.7      2     93.760/    93.760
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #63 of 153 (TRIAL #32 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 331.02  25.47 151.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.338  0.690  0.009     98.459  5.54
   2      0.838  0.190  0.009     98.459  5.54
   3      0.344  0.691  0.017     96.492  5.22
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #63 of 153 (TRIAL #32 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.338  0.690  0.009     80.844  5.54   0.0      4     98.459/    98.459
   2      0.212  0.210  0.565     80.114  4.67  25.3      2     93.174/    93.174
   3      0.836  0.778  0.009     73.680  4.70  15.4      2     93.362/    93.362

   SET #7 of 8 TRIAL #64 of 153 (TRIAL #33 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  27.07  27.83 147.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.368  0.483  0.020     99.170  6.00
   2      0.868  0.983  0.020     99.170  6.00
   3      0.368  0.908  0.021     98.516  5.89
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #64 of 153 (TRIAL #33 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.868  0.983  0.020     81.748  6.00   0.0      2     99.170/    99.170
   2      0.868  0.852  0.021     75.442  5.31   3.1      2     94.988/    94.988
   3      0.868  0.408  0.021     74.948  5.89  10.1      2     98.516/    98.516
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #65 of 153 (TRIAL #34 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 260.28  37.31 170.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #66 of 153 (TRIAL #35 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 204.20  35.14 161.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.445  0.373  0.170     93.365  5.11
   2      0.945  0.873  0.170     93.365  5.11
   3      0.722  1.000  0.954     93.176  5.08
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #66 of 153 (TRIAL #35 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.445  0.373  0.170     81.551  5.11   0.0      2     93.365/    93.365
   2      0.040  0.355  0.845     79.141  5.03  28.8      2     92.857/    92.857
   3      0.722  1.000  0.954     74.541  5.08  14.9      2     93.176/    93.176

   SET #7 of 8 TRIAL #67 of 153 (TRIAL #36 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 246.31  25.15 174.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.698  0.650  0.657     94.167  5.46
   2      0.198  0.150  0.657     94.167  5.46

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #67 of 153 (TRIAL #36 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.698  0.650  0.657     85.798  5.46   0.0      2     94.167/    94.167

   SET #7 of 8 TRIAL #68 of 153 (TRIAL #37 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 183.39  40.20 156.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #69 of 153 (TRIAL #38 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 108.16  30.03 138.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #70 of 153 (TRIAL #39 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 266.84  29.07 162.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.726  0.803  0.873     95.102  4.96
   2      0.226  0.303  0.873     95.102  4.96
   3      0.720  0.804  0.866     94.520  4.86
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #70 of 153 (TRIAL #39 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.226  0.303  0.873     80.273  4.96   0.0      4     95.102/    95.102
   2      0.272  0.288  0.985     71.979  4.62   5.4      2     93.003/    93.003
   3      0.806  0.798  0.092     71.222  4.58  12.7      2     92.748/    92.748
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #71 of 153 (TRIAL #40 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 217.47  27.18 176.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #72 of 153 (TRIAL #41 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  60.80  26.59 129.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #73 of 153 (TRIAL #42 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  42.56  32.81 151.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.800  0.440  0.901     96.586  5.22
   2      0.300  0.940  0.901     96.586  5.22
   3      0.806  0.437  0.907     95.986  5.12
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #73 of 153 (TRIAL #42 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.858  0.026  0.795     77.483  4.72   0.0      2     93.545/    93.545
   2      0.806  0.437  0.907     77.407  5.12  14.7      6     95.986/    96.586

   SET #7 of 8 TRIAL #74 of 153 (TRIAL #43 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  30.36  24.91 165.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #75 of 153 (TRIAL #44 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  99.11  29.16 138.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #76 of 153 (TRIAL #45 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 195.65  35.27 161.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.434  0.405  0.168     92.104  5.02
   2      0.934  0.905  0.168     92.104  5.02
   3      0.246  0.947  0.507     92.010  5.00
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #76 of 153 (TRIAL #45 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.434  0.405  0.168     85.324  5.02   0.0      2     92.104/    92.104

   SET #7 of 8 TRIAL #77 of 153 (TRIAL #46 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  12.48  21.81 155.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #78 of 153 (TRIAL #47 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  84.45  21.19 136.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #79 of 153 (TRIAL #48 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 341.56  28.50 159.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #80 of 153 (TRIAL #49 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  74.02  36.08 212.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #81 of 153 (TRIAL #50 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  19.05  28.56 158.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.806  0.470  0.902     95.581  5.29
   2      0.306  0.970  0.902     95.581  5.29
   3      0.371  0.966  0.576     94.357  5.10
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #81 of 153 (TRIAL #50 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.871  0.466  0.576     76.850  5.10   0.0      2     94.357/    94.357
   2      0.893  0.887  0.964     73.909  4.93  25.5      2     93.300/    93.300
   3      0.804  0.062  0.904     71.034  4.84  27.1      2     92.733/    92.733
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #82 of 153 (TRIAL #51 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  79.26  28.94 129.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #83 of 153 (TRIAL #52 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  34.98  58.45 174.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #84 of 153 (TRIAL #53 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 296.42  20.58 159.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #85 of 153 (TRIAL #54 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 242.62  48.33 196.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #86 of 153 (TRIAL #55 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  55.85  49.43 194.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #87 of 153 (TRIAL #56 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 352.12  21.60 169.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #88 of 153 (TRIAL #57 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 204.17  59.07 160.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #89 of 153 (TRIAL #58 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 174.84  35.22 168.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #90 of 153 (TRIAL #59 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 170.79  30.76 150.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.261  0.127  0.063     96.776  5.29
   2      0.761  0.627  0.063     96.776  5.29
   3      0.691  0.619  0.391     95.562  5.09
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #90 of 153 (TRIAL #59 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.691  0.619  0.391     76.995  5.09   0.0      2     95.562/    95.562
   2      0.758  0.208  0.066     73.096  4.95  26.9      2     94.673/    94.673
   3      0.761  0.627  0.063     70.785  5.29  25.4      2     96.776/    96.776

   SET #7 of 8 TRIAL #91 of 153 (TRIAL #60 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 139.50  30.14 154.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 32 sites over 67.5% of top
   32 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.705  0.666  0.379     101.91  5.85
   2      0.205  0.166  0.379     101.91  5.85
   3      0.735  0.658  0.943     100.06  5.57
   #Sites = 32: output truncated to 3 sites

   Top 32 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #91 of 153 (TRIAL #60 of 122 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.211  0.166  0.388     77.876  5.41   0.0      4     99.017/   101.908
   2      0.735  0.658  0.943     76.878  5.57  27.2      4    100.060/   100.060
   3      0.768  0.249  0.056     73.206  4.73  29.5      4     94.625/    94.625
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #92 of 153 (TRIAL #61 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler   9.68  28.52 158.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #93 of 153 (TRIAL #62 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 130.31  29.98 154.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 36 sites over 67.5% of top
   36 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.715  0.687  0.378     102.07  5.97
   2      0.215  0.187  0.378     102.07  5.97
   3      0.738  0.676  0.935      98.40  5.41
   #Sites = 36: output truncated to 3 sites

   Top 36 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #93 of 153 (TRIAL #62 of 122 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.715  0.687  0.378     77.090  5.97   0.0      4     102.07/    102.07
   2      0.743  0.673  0.943     76.797  5.33  29.4      4      97.87/     98.40
   3      0.222  0.469  0.886     73.854  4.69  21.7      4      93.71/     96.45
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #94 of 153 (TRIAL #63 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  10.94  21.02 165.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #95 of 153 (TRIAL #64 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  93.41  30.41 100.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #96 of 153 (TRIAL #65 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler  42.40  57.67 177.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #97 of 153 (TRIAL #66 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 285.32  35.80 173.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #98 of 153 (TRIAL #67 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 302.48  34.53 174.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #99 of 153 (TRIAL #68 of 122 deep)
   ----------------------------------------------------
   Ensemble helix_pdb Euler 206.23  45.28 158.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #100 of 153 (TRIAL #69 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 197.56  45.32 156.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #101 of 153 (TRIAL #70 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 210.85  39.45 164.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #102 of 153 (TRIAL #71 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 197.28  40.31 158.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #103 of 153 (TRIAL #72 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 248.54  40.68 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #104 of 153 (TRIAL #73 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  84.53  31.13 133.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.628  0.209  0.996     93.963  5.90
   2      0.128  0.709  0.996     93.963  5.90

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #104 of 153 (TRIAL #73 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.128  0.709  0.996     80.928  5.90   0.0      2     93.963/    93.963

   SET #7 of 8 TRIAL #105 of 153 (TRIAL #74 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 140.08  44.06 153.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #106 of 153 (TRIAL #75 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 276.77  36.46 172.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #107 of 153 (TRIAL #76 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 207.91  27.89 176.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #108 of 153 (TRIAL #77 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 194.30  50.74 192.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #109 of 153 (TRIAL #78 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 192.58  30.30 164.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.537  0.887  0.400     98.047  5.66
   2      0.037  0.387  0.400     98.047  5.66
   3      0.450  0.304  0.957     93.967  5.02
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #109 of 153 (TRIAL #78 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.537  0.887  0.400     81.138  5.66   0.0      2     98.047/    98.047
   2      0.450  0.304  0.957     71.207  5.02  25.5      2     93.967/    93.967
   3      0.986  0.307  0.287     70.711  4.89  40.2      2     93.173/    93.173

   SET #7 of 8 TRIAL #110 of 153 (TRIAL #79 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 165.48  35.57 167.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.649  0.425  0.267     92.201  5.05
   2      0.149  0.925  0.267     92.201  5.05

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #110 of 153 (TRIAL #79 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.149  0.925  0.267     74.076  5.05   0.0      2     92.201/    92.201

   SET #7 of 8 TRIAL #111 of 153 (TRIAL #80 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  88.60  14.55 113.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #112 of 153 (TRIAL #81 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  82.17  32.08 212.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #113 of 153 (TRIAL #82 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 224.30  30.75 179.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #114 of 153 (TRIAL #83 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  38.86  16.40 156.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #115 of 153 (TRIAL #84 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 206.18  36.98 179.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #116 of 153 (TRIAL #85 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 287.72  13.53  93.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #117 of 153 (TRIAL #86 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 224.30  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.218  0.826  0.965     93.652  5.05
   2      0.718  0.326  0.965     93.652  5.05
   3      0.525  0.285  0.851     92.481  4.88
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #117 of 153 (TRIAL #86 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.902  0.807  0.630     72.439  4.77   0.0      2     91.787/    91.787
   2      0.025  0.785  0.851     69.959  4.88  11.0      2     92.481/    92.481
   3      0.195  0.848  0.408     68.473  4.75   7.7      2     91.615/    91.615
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #118 of 153 (TRIAL #87 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 353.58  30.67 168.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.488  0.200  0.277     94.003  5.06
   2      0.988  0.700  0.277     94.003  5.06
   3      0.357  0.001  0.563     92.679  4.84
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #118 of 153 (TRIAL #87 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.988  0.700  0.277     69.339  5.06   0.0      2     94.003/    94.003
   2      0.357  0.001  0.563     68.578  4.84  27.2      2     92.679/    92.679

   SET #7 of 8 TRIAL #119 of 153 (TRIAL #88 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 214.42  56.77 173.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #120 of 153 (TRIAL #89 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  25.21  19.89 151.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #121 of 153 (TRIAL #90 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  31.28  27.01 139.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #122 of 153 (TRIAL #91 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 264.73  40.37 165.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #123 of 153 (TRIAL #92 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 227.28  54.30 181.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #124 of 153 (TRIAL #93 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 207.45  29.35 167.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.218  0.790  0.965     92.880  5.17
   2      0.718  0.290  0.965     92.880  5.17

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #124 of 153 (TRIAL #93 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.218  0.790  0.965     68.541  5.17   0.0      2     92.880/    92.880

   SET #7 of 8 TRIAL #125 of 153 (TRIAL #94 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 147.24  28.40 136.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #126 of 153 (TRIAL #95 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler  72.46  11.73 223.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #127 of 153 (TRIAL #96 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 270.08  26.84 178.93 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #128 of 153 (TRIAL #97 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 177.08  30.63 164.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.536  0.955  0.396     95.516  5.31
   2      0.036  0.455  0.396     95.516  5.31
   3      0.678  0.378  0.387     93.194  4.94
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #128 of 153 (TRIAL #97 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.036  0.455  0.396     80.878  5.31   0.0      2     95.516/    95.516
   2      0.871  0.369  0.277     72.456  4.84  12.0      2     92.559/    92.559
   3      0.232  0.979  0.509     70.586  4.78  18.5      2     92.142/    92.142
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #129 of 153 (TRIAL #98 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 194.79  32.13 146.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #130 of 153 (TRIAL #99 of 122 deep)
   -----------------------------------------------------
   Ensemble helix_pdb Euler 239.75  32.04 139.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 24 sites over 67.5% of top
   24 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.518  0.381  0.640     97.873  4.97
   2      0.018  0.881  0.640     97.873  4.97
   3      0.518  0.929  0.640     97.693  4.94
   #Sites = 24: output truncated to 3 sites

   Top 24 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #130 of 153 (TRIAL #99 of 122 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.774  0.407  0.644     65.894  4.66   0.0      4     95.978/    95.978
   2      0.785  0.926  0.419     65.864  4.61  18.8      4     95.635/    95.635
   3      0.518  0.381  0.640     65.227  4.97  20.6      4     97.873/    97.873
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #131 of 153 (TRIAL #100 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 176.11  30.88 154.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.260  0.063  0.066     95.217  5.28
   2      0.760  0.563  0.066     95.217  5.28
   3      0.251  0.062  0.065     93.600  5.03
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #131 of 153 (TRIAL #100 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.760  0.563  0.066     73.638  5.28   0.0      2     95.217/    95.217
   2      0.935  0.499  0.170     73.263  4.93  13.0      2     92.985/    92.985

   SET #7 of 8 TRIAL #132 of 153 (TRIAL #101 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 218.97  34.60 185.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #133 of 153 (TRIAL #102 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 111.97  29.65 155.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 30 sites over 67.5% of top
   30 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.757  0.698  0.933     101.62  6.11
   2      0.257  0.198  0.933     101.62  6.11
   3      0.757  0.297  0.934      96.82  5.36
   #Sites = 30: output truncated to 3 sites

   Top 30 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #133 of 153 (TRIAL #102 of 122 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.257  0.198  0.933     80.064  6.11   0.0      6     101.62/    101.62
   2      0.757  0.297  0.934     75.371  5.36  46.2      2      96.82/     96.82
   3      0.728  0.716  0.367     74.466  5.36  23.1      4      96.82/     96.82
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #134 of 153 (TRIAL #103 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  47.30  26.90 133.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #135 of 153 (TRIAL #104 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 120.33  37.14 144.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #136 of 153 (TRIAL #105 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 233.34  30.77 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.225  0.794  0.966     93.874  5.10
   2      0.725  0.294  0.966     93.874  5.10
   3      0.229  0.793  0.972     92.938  4.96
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #136 of 153 (TRIAL #105 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.729  0.293  0.972     71.514  4.96   0.0      4     92.938/    93.874
   2      0.700  0.325  0.410     66.171  4.75  29.6      2     91.581/    91.581

   SET #7 of 8 TRIAL #137 of 153 (TRIAL #106 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler   9.26  30.05 168.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.502  0.535  0.565     93.526  5.00
   2      0.002  0.035  0.565     93.526  5.00
   3      0.803  0.599  0.453     93.136  4.93
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #137 of 153 (TRIAL #106 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.002  0.035  0.565     77.562  5.00   0.0      2     93.526/    93.526
   2      0.803  0.599  0.453     76.962  4.93  18.1      2     93.136/    93.136

   SET #7 of 8 TRIAL #138 of 153 (TRIAL #107 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 304.70  28.04 181.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #139 of 153 (TRIAL #108 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 285.39  20.58 161.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #140 of 153 (TRIAL #109 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  52.22  25.26 140.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #141 of 153 (TRIAL #110 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 136.82  38.13 146.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #142 of 153 (TRIAL #111 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 131.62  36.65 164.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #143 of 153 (TRIAL #112 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 316.39  19.88 167.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #144 of 153 (TRIAL #113 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 128.76  26.60 136.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #145 of 153 (TRIAL #114 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 209.76  41.76 152.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #146 of 153 (TRIAL #115 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 206.86  32.43 178.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #147 of 153 (TRIAL #116 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 209.83  31.58 154.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #148 of 153 (TRIAL #117 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler  37.30  19.82 136.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #149 of 153 (TRIAL #118 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 186.87  43.84 170.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #150 of 153 (TRIAL #119 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 238.05  35.85 175.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #151 of 153 (TRIAL #120 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 306.52  14.35  74.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 8 TRIAL #152 of 153 (TRIAL #121 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 263.51  21.06 136.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.519  0.644  0.904     97.978  4.92
   2      0.019  0.144  0.904     97.978  4.92
   3      0.219  0.633  0.565     96.814  4.73
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #7 of 8 TRIAL #152 of 153 (TRIAL #121 of 122 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.602  0.653  0.561     68.968  4.30   0.0      2     94.227/    94.227
   2      0.045  0.096  0.450     68.271  4.52  34.7      2     95.588/    95.588
   3      0.569  0.107  0.812     64.465  4.73  21.0      2     96.812/    96.812
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 8 TRIAL #153 of 153 (TRIAL #122 of 122 deep)
   ------------------------------------------------------
   Ensemble helix_pdb Euler 300.35  24.44  96.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring


---------------------------------
DEEP TRANSLATION FUNCTION #8 OF 8
---------------------------------

   79 trial orientations in deep search


   SOLU SET  RFZ=4.4 TFZ=4.4 PAK=0 LLG=55
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_pdb EULER  308.4   38.5  146.3 FRAC -0.23  0.02 -0.19 BFAC -6.83
   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.254   25.947  169.442 RF   83.6 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_pdb EULER   61.810   25.190  150.758 RF   83.3 RFZ  3.98

   SOLU TRIAL ENSEMBLE helix_pdb EULER   81.535   25.925  148.923 RF   82.3 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_pdb EULER   51.869   24.857  151.761 RF   81.4 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  105.001   25.774  143.061 RF   81.4 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  330.424   24.033  161.846 RF   81.4 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_pdb EULER  154.743   35.358  157.996 RF   81.3 RFZ  3.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   95.219   25.150  143.887 RF   81.2 RFZ  3.76 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  144.538   34.201  148.866 RF   81.1 RFZ  3.75 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  254.252   27.728  166.183 RF   81.0 RFZ  3.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  311.902   26.454  162.390 RF   80.7 RFZ  3.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   68.534   27.197  153.278 RF   80.5 RFZ  3.69 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   65.078   29.907  146.462 RF   80.4 RFZ  3.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  119.802   27.800  146.573 RF   80.3 RFZ  3.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.537   26.450  142.508 RF   80.3 RFZ  3.66 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.201   26.601  163.128 RF   80.2 RFZ  3.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  138.412   28.847  146.020 RF   80.2 RFZ  3.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   66.885   34.647  143.184 RF   80.1 RFZ  3.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  240.923   26.845  170.792 RF   80.0 RFZ  3.64 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  281.573   33.445  166.459 RF   80.0 RFZ  3.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  130.853   39.281  153.789 RF   79.8 RFZ  3.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  136.286   40.229  158.278 RF   79.7 RFZ  3.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  290.387   33.102  166.737 RF   79.7 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  231.168   27.284  171.533 RF   79.7 RFZ  3.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  170.099   30.699  141.547 RF   79.6 RFZ  3.59 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  332.575   27.011  170.254 RF   79.6 RFZ  3.59 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  266.428   24.033  172.431 RF   79.5 RFZ  3.58 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  125.040   28.982  150.747 RF   79.2 RFZ  3.55 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  238.452   34.592  163.922 RF   79.2 RFZ  3.55 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  160.965   29.975  141.422 RF   79.1 RFZ  3.54 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   86.169   34.182  153.395 RF   79.0 RFZ  3.53 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   72.898   36.756  146.839 RF   79.0 RFZ  3.53 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   56.349   20.612  156.808 RF   78.7 RFZ  3.50 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  114.474   38.846  151.609 RF   78.7 RFZ  3.50 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   89.725   37.795  148.532 RF   78.7 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  226.098   28.673  167.279 RF   78.7 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  179.375   35.686  151.026 RF   78.7 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   41.804   24.603  152.898 RF   78.6 RFZ  3.49 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   98.109   38.338  149.376 RF   78.5 RFZ  3.48 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  133.571   27.812  141.485 RF   78.5 RFZ  3.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  243.787   38.077  168.702 RF   78.4 RFZ  3.47 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  351.880   21.677  148.451 RF   78.0 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  316.814   32.125  167.642 RF   78.0 RFZ  3.42 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  331.016   25.474  151.237 RF   77.9 RFZ  3.41 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  335.557   60.151  153.683 RF   77.7 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.682   27.050  148.362 RF   77.7 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   94.859   34.468  153.827 RF   77.7 RFZ  3.39 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  217.468   27.181  176.300 RF   77.5 RFZ  3.37 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.904   35.290  142.504 RF   77.4 RFZ  3.36 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER    1.137   23.981  157.883 RF   77.3 RFZ  3.35 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  152.551   30.043  150.377 RF   77.3 RFZ  3.34 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  219.013   39.249  165.771 RF   77.2 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  276.539   23.492  171.260 RF   77.1 RFZ  3.33 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  246.310   25.147  174.624 RF   77.0 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  286.881   23.045  169.839 RF   77.0 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  168.781   39.946  163.102 RF   76.9 RFZ  3.31 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  302.480   34.530  174.582 RF   76.6 RFZ  3.28 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  174.844   35.222  168.249 RF   76.5 RFZ  3.27 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  188.545   36.059  151.903 RF   76.5 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  155.419   39.956  157.030 RF   76.5 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  350.922   26.210  159.199 RF   76.5 RFZ  3.26 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  165.484   35.570  167.603 RF   76.4 RFZ  3.25 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  322.820   28.560  160.313 RF   76.3 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  260.282   37.308  170.694 RF   76.3 RFZ  3.24 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   30.359   24.906  165.332 RF   76.1 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   27.068   27.835  147.522 RF   76.1 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   60.805   26.592  129.630 RF   76.0 RFZ  3.20 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  232.621   37.508  171.130 RF   75.8 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  296.422   20.582  159.312 RF   75.7 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.907   27.889  176.659 RF   75.7 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  224.298   30.751  179.382 RF   75.6 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  163.568   39.976  158.168 RF   75.6 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.328   29.347  162.740 RF   75.5 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  248.538   40.682  162.831 RF   75.4 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  132.641   24.827  184.107 RF   75.4 RFZ  3.14 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  352.122   21.602  169.240 RF   75.3 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  207.448   29.352  167.760 RF   75.3 RFZ  3.13 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   63.087   47.928  196.726 RF   75.2 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   74.017   36.083  212.756 RF   75.2 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   42.565   32.805  151.209 RF   75.1 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   10.945   21.018  165.784 RF   75.1 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   21.857   46.476  196.197 RF   75.1 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  221.274   34.967  162.826 RF   75.1 RFZ  3.11 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER  285.323   35.801  173.337 RF   75.0 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_pdb EULER   34.977   58.451  174.872 RF   75.0 RFZ  3.10 # DEEP

   Scoring 510 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #8 of 8
   0%   100%
   |=====| DONE

   Mean Score (Sigma):       33.92   (10.68)

   SET #8 of 8 TRIAL #7 of 85 (TRIAL #1 of 79 deep)
   ------------------------------------------------
   Ensemble helix_pdb Euler 154.74  35.36 158.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.687  0.895  0.209     99.389  4.95
   2      0.187  0.395  0.209     99.389  4.95
   3      0.429  0.274  0.321     97.132  4.58
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #7 of 85 (TRIAL #1 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.473  0.868  0.212     80.900  4.49   0.0      2     96.582/    96.582
   2      0.187  0.395  0.209     78.919  4.95  28.6      2     99.389/    99.389
   3      0.929  0.774  0.321     77.475  4.58  30.1      2     97.132/    97.132
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #8 of 8 TRIAL #8 of 85 (TRIAL #2 of 79 deep)
   ------------------------------------------------
   Ensemble helix_pdb Euler  95.22  25.15 143.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.597  0.034  0.550     98.603  5.13
   2      0.097  0.534  0.550     98.603  5.13

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #8 of 85 (TRIAL #2 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.097  0.534  0.550     83.854  5.13   0.0      2     98.603/    98.603

   SET #8 of 8 TRIAL #9 of 85 (TRIAL #3 of 79 deep)
   ------------------------------------------------
   Ensemble helix_pdb Euler 144.54  34.20 148.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 28 sites over 67.5% of top
   28 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.489  0.209  0.930     97.549  4.83
   2      0.989  0.709  0.930     97.549  4.83
   3      0.496  0.992  0.433     96.851  4.71
   #Sites = 28: output truncated to 3 sites

   Top 28 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #9 of 85 (TRIAL #3 of 79 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.993  0.262  0.934     83.019  4.55   0.0      2     95.819/    95.819
   2      0.505  0.516  0.434     80.609  4.33  35.1      4     94.479/    95.448
   3      0.862  0.815  0.060     80.427  4.23  21.2      2     93.875/    93.875
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #8 of 8 TRIAL #10 of 85 (TRIAL #4 of 79 deep)
   -------------------------------------------------
   Ensemble helix_pdb Euler 254.25  27.73 166.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.527  0.537  0.039     99.213  5.06
   2      0.027  0.037  0.039     99.213  5.06
   3      0.339  0.505  0.158     98.135  4.88
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #10 of 85 (TRIAL #4 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.027  0.037  0.039     79.859  5.06   0.0      2     99.213/    99.213
   2      0.839  0.005  0.158     79.644  4.88  22.5      4     98.135/    98.135
   3      0.722  0.481  0.373     75.868  4.26  30.4      2     94.432/    94.432
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #8 of 8 TRIAL #11 of 85 (TRIAL #5 of 79 deep)
   -------------------------------------------------
   Ensemble helix_pdb Euler 311.90  26.45 162.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.357  0.546  0.059     99.017  4.99
   2      0.857  0.046  0.059     99.017  4.99
   3      0.530  0.539  0.389     97.795  4.79
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #11 of 85 (TRIAL #5 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.530  0.539  0.389     83.204  4.79   0.0      2     97.795/    97.795
   2      0.548  0.379  0.940     78.200  4.56  17.6      2     96.396/    96.396
   3      0.638  0.773  0.886     77.693  4.32  15.1      2     94.952/    94.952
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #8 of 8 TRIAL #12 of 85 (TRIAL #6 of 79 deep)
   -------------------------------------------------
   Ensemble helix_pdb Euler  68.53  27.20 153.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 24 sites over 67.5% of top
   24 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.599  0.018  0.533     97.553  4.67
   2      0.099  0.518  0.533     97.553  4.67
   3      0.603  0.007  0.537     97.315  4.63
   #Sites = 24: output truncated to 3 sites

   Top 24 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #12 of 85 (TRIAL #6 of 79 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.309  0.302  0.428     81.227  4.53   0.0      4     96.701/    96.701
   2      0.603  0.007  0.537     77.308  4.63   9.8      4     97.315/    97.553
   3      0.584  0.454  0.762     76.526  4.27  20.2      2     95.153/    95.153
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #8 of 8 TRIAL #13 of 85 (TRIAL #7 of 79 deep)
   -------------------------------------------------
   Ensemble helix_pdb Euler  65.08  29.91 146.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.562  0.893  0.418     100.42  5.55
   2      0.062  0.393  0.418     100.42  5.55
   3      0.613  0.900  0.531      97.05  4.99
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #13 of 85 (TRIAL #7 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.562  0.893  0.418     86.121  5.55   0.0      4     100.42/    100.42
   2      0.113  0.400  0.531     80.094  4.99  30.4      2      97.05/     97.05

   SET #8 of 8 TRIAL #14 of 85 (TRIAL #8 of 79 deep)
   -------------------------------------------------
   Ensemble helix_pdb Euler 119.80  27.80 146.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.565  0.066  0.553     95.711  4.64
   2      0.065  0.566  0.553     95.711  4.64
   3      0.563  0.614  0.552     94.994  4.52
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #14 of 85 (TRIAL #8 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.065  0.566  0.553     72.691  4.64   0.0      2     95.711/    95.711
   2      0.563  0.614  0.552     71.840  4.52  39.0      2     94.994/    94.994
   3      0.297  0.073  0.997     70.732  4.49  24.7      2     94.824/    94.824

   SET #8 of 8 TRIAL #15 of 85 (TRIAL #9 of 79 deep)
   -------------------------------------------------
   Ensemble helix_pdb Euler 114.54  26.45 142.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.594  0.069  0.108     97.104  5.09
   2      0.094  0.569  0.108     97.104  5.09
   3      0.783  0.453  0.942     94.446  4.63
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #15 of 85 (TRIAL #9 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.283  0.953  0.942     80.682  4.63   0.0      2     94.446/    94.446
   2      0.594  0.069  0.108     76.623  5.09  13.9      2     97.104/    97.104

   SET #8 of 8 TRIAL #16 of 85 (TRIAL #10 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 302.20  26.60 163.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.347  0.524  0.056     97.409  4.87
   2      0.847  0.024  0.056     97.409  4.87
   3      0.563  0.503  0.497     97.018  4.80
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #16 of 85 (TRIAL #10 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.019  0.013  0.385     82.765  4.75   0.0      2     96.697/    96.697
   2      0.063  0.003  0.497     76.341  4.80   5.5      2     97.018/    97.018
   3      0.585  0.472  0.052     74.347  4.68  32.4      2     96.277/    96.277
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #8 of 8 TRIAL #17 of 85 (TRIAL #11 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 138.41  28.85 146.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.595  0.595  0.667     94.289  4.45
   2      0.095  0.095  0.667     94.289  4.45

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #17 of 85 (TRIAL #11 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.095  0.095  0.667     71.068  4.45   0.0      2     94.289/    94.289

   SET #8 of 8 TRIAL #18 of 85 (TRIAL #12 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  66.88  34.65 143.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #19 of 85 (TRIAL #13 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 240.92  26.84 170.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.336  0.486  0.161     95.241  4.84
   2      0.836  0.986  0.161     95.241  4.84

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #19 of 85 (TRIAL #13 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.336  0.486  0.161     80.383  4.84   0.0      2     95.241/    95.241

   SET #8 of 8 TRIAL #20 of 85 (TRIAL #14 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 281.57  33.45 166.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #21 of 85 (TRIAL #15 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 130.85  39.28 153.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.677  0.883  0.087     96.409  5.33
   2      0.177  0.383  0.087     96.409  5.33
   3      0.677  0.658  0.587     93.134  4.77
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #21 of 85 (TRIAL #15 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.677  0.883  0.087     82.340  5.33   0.0      2     96.409/    96.409
   2      0.677  0.658  0.587     78.357  4.77  32.2      2     93.134/    93.134

   SET #8 of 8 TRIAL #22 of 85 (TRIAL #16 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 136.29  40.23 158.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.664  0.840  0.085     94.650  4.89
   2      0.164  0.340  0.085     94.650  4.89
   3      0.508  0.343  0.187     93.493  4.69
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #22 of 85 (TRIAL #16 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.508  0.343  0.187     86.011  4.69   0.0      2     93.493/    93.493
   2      0.164  0.340  0.085     79.673  4.89  28.0      2     94.650/    94.650

   SET #8 of 8 TRIAL #23 of 85 (TRIAL #17 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 290.39  33.10 166.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.504  0.651  0.368     94.945  4.73
   2      0.004  0.151  0.368     94.945  4.73
   3      0.511  0.981  0.696     94.519  4.65
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #23 of 85 (TRIAL #17 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.511  0.981  0.696     80.728  4.65   0.0      2     94.519/    94.519
   2      0.504  0.651  0.368     76.169  4.73   8.5      2     94.945/    94.945

   SET #8 of 8 TRIAL #24 of 85 (TRIAL #18 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 231.17  27.28 171.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.305  0.350  0.102     94.585  4.67
   2      0.805  0.850  0.102     94.585  4.67
   3      0.305  0.020  0.601     94.489  4.65
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #24 of 85 (TRIAL #18 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.805  0.520  0.601     80.224  4.65   0.0      2     94.489/    94.489
   2      0.805  0.850  0.102     77.720  4.67  32.6      2     94.585/    94.585

   SET #8 of 8 TRIAL #25 of 85 (TRIAL #19 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 170.10  30.70 141.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.704  0.011  0.679     94.273  4.51
   2      0.204  0.511  0.679     94.273  4.51

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #25 of 85 (TRIAL #19 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.704  0.011  0.679     78.004  4.51   0.0      2     94.273/    94.273

   SET #8 of 8 TRIAL #26 of 85 (TRIAL #20 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 332.57  27.01 170.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.805  0.716  0.041     93.994  4.81
   2      0.305  0.216  0.041     93.994  4.81
   3      0.800  0.722  0.031     93.618  4.75
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #26 of 85 (TRIAL #20 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.805  0.716  0.041     81.001  4.81   0.0      4     93.994/    93.994

   SET #8 of 8 TRIAL #27 of 85 (TRIAL #21 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 266.43  24.03 172.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.608  0.490  0.163     97.587  5.42
   2      0.108  0.990  0.163     97.587  5.42
   3      0.609  0.308  0.163     94.615  4.91
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #27 of 85 (TRIAL #21 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.608  0.490  0.163     84.193  5.42   0.0      2     97.587/    97.587
   2      0.296  0.779  0.495     84.016  4.68  18.7      2     93.287/    93.287
   3      0.609  0.308  0.163     79.075  4.91   4.3      2     94.615/    94.615
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #8 of 8 TRIAL #28 of 85 (TRIAL #22 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 125.04  28.98 150.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 36 sites over 67.5% of top
   36 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.545  0.026  0.549     97.754  4.82
   2      0.045  0.526  0.549     97.754  4.82
   3      0.301  0.362  0.551     97.711  4.82
   #Sites = 36: output truncated to 3 sites

   Top 36 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #28 of 85 (TRIAL #22 of 79 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 14 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.807  0.864  0.558     80.612  4.55   0.0      4     96.140/    97.711
   2      0.366  0.447  0.425     79.120  4.25  19.4      2     94.334/    94.334
   3      0.232  0.408  0.880     78.784  4.49  27.8      2     95.729/    95.729
   #SITES = 14: OUTPUT TRUNCATED TO 3 SITES

   SET #8 of 8 TRIAL #29 of 85 (TRIAL #23 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 238.45  34.59 163.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.495  0.147  0.461     94.641  4.68
   2      0.995  0.647  0.461     94.641  4.68
   3      0.701  0.437  0.732     93.526  4.49
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #29 of 85 (TRIAL #23 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.701  0.437  0.732     79.542  4.49   0.0      2     93.526/    93.526
   2      0.995  0.647  0.461     75.253  4.68  35.8      2     94.641/    94.641

   SET #8 of 8 TRIAL #30 of 85 (TRIAL #24 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 160.97  29.98 141.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #31 of 85 (TRIAL #25 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  86.17  34.18 153.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 20 sites over 67.5% of top
   20 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.576  0.412  0.527     100.71  5.36
   2      0.076  0.912  0.527     100.71  5.36
   3      0.577  0.970  0.527      98.78  5.03
   #Sites = 20: output truncated to 3 sites

   Top 20 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #31 of 85 (TRIAL #25 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.391  0.404  0.414     80.160  4.90   0.0      4     98.010/    98.010
   2      0.257  0.709  0.853     75.998  4.41  30.1      2     95.130/    95.130
   3      0.577  0.970  0.527     75.981  5.03  10.7      4     98.781/    98.781
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #8 of 8 TRIAL #32 of 85 (TRIAL #26 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  72.90  36.76 146.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #33 of 85 (TRIAL #27 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  56.35  20.61 156.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.574  0.099  0.677     94.720  5.06
   2      0.074  0.599  0.677     94.720  5.06
   3      0.392  0.014  0.105     93.324  4.81
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #33 of 85 (TRIAL #27 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.574  0.099  0.677     88.187  5.06   0.0      2     94.720/    94.720

   SET #8 of 8 TRIAL #34 of 85 (TRIAL #28 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 114.47  38.85 151.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #35 of 85 (TRIAL #29 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  89.72  37.80 148.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #36 of 85 (TRIAL #30 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 226.10  28.67 167.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.529  0.981  0.582     95.648  4.73
   2      0.029  0.481  0.582     95.648  4.73
   3      0.526  0.444  0.356     95.375  4.68
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #36 of 85 (TRIAL #30 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.026  0.944  0.356     80.064  4.68   0.0      2     95.375/    95.375
   2      0.808  0.046  0.144     74.139  4.55  15.6      2     94.617/    94.617
   3      0.529  0.981  0.582     72.071  4.73  38.6      2     95.648/    95.648

   SET #8 of 8 TRIAL #37 of 85 (TRIAL #31 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 179.38  35.69 151.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.472  0.443  0.444     99.454  5.69
   2      0.972  0.943  0.444     99.454  5.69
   3      0.471  0.983  0.448     93.134  4.63
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #37 of 85 (TRIAL #31 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.472  0.443  0.444     81.976  5.69   0.0      2     99.454/    99.454
   2      0.971  0.483  0.448     71.444  4.63  43.5      2     93.134/    93.134

   SET #8 of 8 TRIAL #38 of 85 (TRIAL #32 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  41.80  24.60 152.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.365  0.356  0.172     96.794  5.32
   2      0.865  0.856  0.172     96.794  5.32
   3      0.665  0.902  0.647     95.684  5.13
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #38 of 85 (TRIAL #32 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.865  0.856  0.172     81.413  5.32   0.0      2     96.794/    96.794
   2      0.665  0.902  0.647     80.592  5.13  25.6      2     95.684/    95.684
   3      0.125  0.448  0.534     73.890  4.68  20.6      2     93.065/    93.065

   SET #8 of 8 TRIAL #39 of 85 (TRIAL #33 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  98.11  38.34 149.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #40 of 85 (TRIAL #34 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 133.57  27.81 141.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #41 of 85 (TRIAL #35 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 243.79  38.08 168.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #42 of 85 (TRIAL #36 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 351.88  21.68 148.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #43 of 85 (TRIAL #37 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 316.81  32.12 167.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.672  0.645  0.947     96.694  5.13
   2      0.172  0.145  0.947     96.694  5.13
   3      0.516  0.559  0.380     94.766  4.80
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #43 of 85 (TRIAL #37 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.672  0.645  0.947     78.145  5.13   0.0      2     96.694/    96.694
   2      0.516  0.559  0.380     77.168  4.80  16.5      2     94.766/    94.766
   3      0.489  0.634  0.820     70.415  4.77  13.2      2     94.646/    94.646

   SET #8 of 8 TRIAL #44 of 85 (TRIAL #38 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 331.02  25.47 151.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.584  0.496  0.513     94.819  4.92
   2      0.084  0.996  0.513     94.819  4.92
   3      0.393  0.514  0.289     93.620  4.72
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #44 of 85 (TRIAL #38 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.084  0.996  0.513     79.041  4.92   0.0      4     94.819/    94.819
   2      0.893  0.014  0.289     77.928  4.72  11.4      2     93.620/    93.620

   SET #8 of 8 TRIAL #45 of 85 (TRIAL #39 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 335.56  60.15 153.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #46 of 85 (TRIAL #40 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  10.68  27.05 148.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.843  0.118  0.962     93.953  4.85
   2      0.343  0.618  0.962     93.953  4.85
   3      0.568  0.653  0.410     93.922  4.85
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #46 of 85 (TRIAL #40 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.610  0.637  0.520     76.310  4.81   0.0      2     93.729/    93.729
   2      0.568  0.653  0.410     73.944  4.85   5.4      2     93.922/    93.922
   3      0.843  0.118  0.962     67.994  4.85  24.5      2     93.953/    93.953

   SET #8 of 8 TRIAL #47 of 85 (TRIAL #41 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  94.86  34.47 153.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.568  0.422  0.528     98.328  5.24
   2      0.068  0.922  0.528     98.328  5.24
   3      0.568  0.953  0.529     96.218  4.89
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #47 of 85 (TRIAL #41 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.568  0.953  0.529     72.325  4.89   0.0      2     96.218/    96.218
   2      0.068  0.922  0.528     72.304  5.24  36.1      2     98.328/    98.328
   3      0.070  0.357  0.526     65.314  4.64  37.1      2     94.742/    94.742

   SET #8 of 8 TRIAL #48 of 85 (TRIAL #42 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 217.47  27.18 176.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #49 of 85 (TRIAL #43 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 168.90  35.29 142.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #50 of 85 (TRIAL #44 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler   1.14  23.98 157.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.621  0.718  0.524     96.235  5.44
   2      0.121  0.218  0.524     96.235  5.44

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #50 of 85 (TRIAL #44 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.621  0.718  0.524     86.591  5.44   0.0      2     96.235/    96.235

   SET #8 of 8 TRIAL #51 of 85 (TRIAL #45 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 152.55  30.04 150.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.473  0.010  0.444     94.145  4.51
   2      0.973  0.510  0.444     94.145  4.51

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #51 of 85 (TRIAL #45 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.473  0.010  0.444     69.573  4.51   0.0      2     94.145/    94.145

   SET #8 of 8 TRIAL #52 of 85 (TRIAL #46 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 219.01  39.25 165.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #53 of 85 (TRIAL #47 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 276.54  23.49 171.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #54 of 85 (TRIAL #48 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 246.31  25.15 174.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #55 of 85 (TRIAL #49 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 286.88  23.04 169.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.432  0.889  0.396     93.630  5.32
   2      0.932  0.389  0.396     93.630  5.32

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #55 of 85 (TRIAL #49 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.432  0.889  0.396     79.674  5.32   0.0      2     93.630/    93.630

   SET #8 of 8 TRIAL #56 of 85 (TRIAL #50 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 168.78  39.95 163.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #57 of 85 (TRIAL #51 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 302.48  34.53 174.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #58 of 85 (TRIAL #52 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 174.84  35.22 168.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #59 of 85 (TRIAL #53 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 188.54  36.06 151.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.467  0.414  0.445     92.555  5.04
   2      0.967  0.914  0.445     92.555  5.04

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #59 of 85 (TRIAL #53 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.967  0.914  0.445     75.296  5.04   0.0      2     92.555/    92.555

   SET #8 of 8 TRIAL #60 of 85 (TRIAL #54 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 155.42  39.96 157.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #61 of 85 (TRIAL #55 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 350.92  26.21 159.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.605  0.678  0.516     97.023  5.49
   2      0.105  0.178  0.516     97.023  5.49
   3      0.806  0.676  0.040     93.225  4.86
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #61 of 85 (TRIAL #55 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.105  0.178  0.516     85.148  5.49   0.0      2     97.023/    97.023
   2      0.806  0.676  0.040     76.621  4.86  26.5      2     93.225/    93.225

   SET #8 of 8 TRIAL #62 of 85 (TRIAL #56 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 165.48  35.57 167.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #63 of 85 (TRIAL #57 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 322.82  28.56 160.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.575  0.598  0.498     97.591  5.31
   2      0.075  0.098  0.498     97.591  5.31
   3      0.526  0.585  0.385     97.490  5.29
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #63 of 85 (TRIAL #57 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.526  0.585  0.385     80.653  5.29   0.0      2     97.490/    97.490
   2      0.575  0.598  0.498     78.459  5.31   5.5      2     97.591/    97.591
   3      0.056  0.410  0.940     75.785  4.82  33.4      2     94.609/    94.609

   SET #8 of 8 TRIAL #64 of 85 (TRIAL #58 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 260.28  37.31 170.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #65 of 85 (TRIAL #59 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  30.36  24.91 165.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #66 of 85 (TRIAL #60 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  27.07  27.83 147.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.369  0.368  0.020     95.029  5.47
   2      0.869  0.868  0.020     95.029  5.47
   3      0.369  0.883  0.020     93.878  5.28
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #66 of 85 (TRIAL #60 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.619  0.717  0.528     77.524  5.06   0.0      2     92.583/    92.583
   2      0.869  0.868  0.020     76.741  5.47  24.3      2     95.029/    95.029
   3      0.368  0.060  0.521     74.512  5.14   9.1      2     93.062/    93.062
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #8 of 8 TRIAL #67 of 85 (TRIAL #61 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  60.80  26.59 129.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #68 of 85 (TRIAL #62 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 232.62  37.51 171.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #69 of 85 (TRIAL #63 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 296.42  20.58 159.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #70 of 85 (TRIAL #64 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 207.91  27.89 176.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #71 of 85 (TRIAL #65 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 224.30  30.75 179.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #72 of 85 (TRIAL #66 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 163.57  39.98 158.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #73 of 85 (TRIAL #67 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 248.33  29.35 162.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.511  0.588  0.031     93.482  4.81
   2      0.011  0.088  0.031     93.482  4.81

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #73 of 85 (TRIAL #67 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.011  0.088  0.031     72.308  4.81   0.0      2     93.482/    93.482

   SET #8 of 8 TRIAL #74 of 85 (TRIAL #68 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 248.54  40.68 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #75 of 85 (TRIAL #69 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 132.64  24.83 184.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 38 sites over 67.5% of top
   38 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.255  0.771  0.138     100.27  5.09
   2      0.755  0.271  0.138     100.27  5.09
   3      0.252  0.769  0.132      99.65  4.98
   #Sites = 38: output truncated to 3 sites

   Top 38 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #75 of 85 (TRIAL #69 of 79 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.315  0.345  0.454     84.741  4.83   0.0      2     98.755/    98.755

   SET #8 of 8 TRIAL #76 of 85 (TRIAL #70 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 352.12  21.60 169.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #77 of 85 (TRIAL #71 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 207.45  29.35 167.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #78 of 85 (TRIAL #72 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  63.09  47.93 196.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #79 of 85 (TRIAL #73 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  74.02  36.08 212.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #80 of 85 (TRIAL #74 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  42.56  32.81 151.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.549  0.773  0.407     99.708  5.93
   2      0.049  0.273  0.407     99.708  5.93
   3      0.550  0.274  0.405     95.759  5.26
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #80 of 85 (TRIAL #74 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.549  0.773  0.407     77.783  5.93   0.0      2     99.708/    99.708
   2      0.598  0.800  0.522     75.562  5.13   5.6      2     94.981/    94.981
   3      0.550  0.274  0.405     70.462  5.26  11.9      2     95.759/    95.759

   SET #8 of 8 TRIAL #81 of 85 (TRIAL #75 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  10.94  21.02 165.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.676  0.905  0.643     92.610  5.46
   2      0.176  0.405  0.643     92.610  5.46

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #8 of 8 TRIAL #81 of 85 (TRIAL #75 of 79 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.176  0.405  0.643     81.825  5.46   0.0      2     92.610/    92.610

   SET #8 of 8 TRIAL #82 of 85 (TRIAL #76 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  21.86  46.48 196.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #83 of 85 (TRIAL #77 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 221.27  34.97 162.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #84 of 85 (TRIAL #78 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler 285.32  35.80 173.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 8 TRIAL #85 of 85 (TRIAL #79 of 79 deep)
   --------------------------------------------------
   Ensemble helix_pdb Euler  34.98  58.45 174.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 106.34 (TFZ=6.2)
   Current Top (ML) Packing Translation Function LLG = 107.94 (TFZ=7.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring


------------------------------------------------------------------------------------------
Advisory: The top solution from a FTF did not pack
------------------------------------------------------------------------------------------



   Translation Function Results
   Top1: ENSEMBLE helix_pdb EULER 335.557 60.151 153.683 FRAC 0.761 0.201 0.020 TF=107.9


   Translation Function Table
   --------------------------
   SET ROT*deep   Top   (Z)     Second   (Z)      Third   (Z) SpaceGroup  Ensemble
     1   1       89.6  3.90       87.9  3.94       87.0  4.15 C 1 2 1  helix_pd   
     1   2       93.5  4.51       89.0  4.73       88.1  4.47 C 1 2 1  helix_pd   
     1   3       90.5  3.83       89.8  4.22       88.8  4.32 C 1 2 1  helix_pd   
     1   4       90.0  4.84       87.9  4.85       87.8  4.14 C 1 2 1  helix_pd   
     1   5       89.3  4.17       88.8  4.63       86.6  4.28 C 1 2 1  helix_pd   
     1   6       97.9  4.96       87.8  4.71       86.4  3.82 C 1 2 1  helix_pd   
     1   7       97.7  4.60       88.3  4.37       87.1  4.35 C 1 2 1  helix_pd   
     1   8       91.5  5.16       91.3  5.33       90.9  4.46 C 1 2 1  helix_pd   
     1   9       96.8  5.16       91.5  5.11       84.0  4.15 C 1 2 1  helix_pd   
     1  10       88.5  4.09       85.8  3.85       84.0  4.31 C 1 2 1  helix_pd   
     1  11       94.2  4.53       91.9  5.26       91.3  4.34 C 1 2 1  helix_pd   
     1  12       91.0  4.06       88.0  4.63       87.7  4.28 C 1 2 1  helix_pd   
     1  13       87.0  4.28       86.3  4.28       85.6  4.68 C 1 2 1  helix_pd   
     1  14       88.6  4.54       87.1  4.57       86.3  4.09 C 1 2 1  helix_pd   
     1  15       93.3  4.70       87.4  4.58       86.2  3.70 C 1 2 1  helix_pd   
     1  16       90.7  4.84       88.2  4.01       88.0  4.22 C 1 2 1  helix_pd   
     1  17       86.4  4.25       86.3  4.05       84.5  4.13 C 1 2 1  helix_pd   
     1  18       94.5  4.59       87.6  4.49       87.5  5.05 C 1 2 1  helix_pd   
     1  19       91.9  4.86       88.2  4.03       88.1  4.96 C 1 2 1  helix_pd   
     1  20       94.3  5.28       86.6  3.86       85.8  4.02 C 1 2 1  helix_pd   
     1  21       89.4  4.70       89.3  4.33       85.3  4.77 C 1 2 1  helix_pd   
     1  22       91.8  4.53       90.5  4.65       84.8  4.37 C 1 2 1  helix_pd   
     1  23       97.4  4.57       85.4  4.77       84.8  4.42 C 1 2 1  helix_pd   
     1  24       85.2  4.37       81.9  4.39       81.7  4.85 C 1 2 1  helix_pd   
     1  25       82.8  4.20       78.5  4.15       77.5  4.12 C 1 2 1  helix_pd   
     1  26       92.9  4.46       89.9  4.75       85.1  4.69 C 1 2 1  helix_pd   
     1  27       85.3  4.15       81.8  4.40       81.7  4.37 C 1 2 1  helix_pd   
     1  28       87.4  4.67       87.1  4.92       85.1  4.74 C 1 2 1  helix_pd   
     1  29       84.8  4.68       83.3  4.24       82.2  4.35 C 1 2 1  helix_pd   
     1  30       89.4  4.78       85.7  4.21       83.1  3.98 C 1 2 1  helix_pd   
     1  31       90.4  4.79       87.1  4.02       83.3  4.32 C 1 2 1  helix_pd   
     1  32       86.9  4.49       83.3  4.21       81.3  4.14 C 1 2 1  helix_pd   
     1  33       85.0  4.67       80.3  4.07       78.3  4.09 C 1 2 1  helix_pd   
     1  34       89.2  5.01       81.3  4.59       80.4  4.20 C 1 2 1  helix_pd   
     1  35       93.5  5.13       87.0  4.37       84.4  4.37 C 1 2 1  helix_pd   
     1  36       83.2  4.52       80.2  4.36          -     - C 1 2 1  helix_pd   
     1  37      101.3  6.16          -     -          -     - C 1 2 1  helix_pd   
     1  38       84.0  4.35       82.0  4.37       81.8  4.50 C 1 2 1  helix_pd   
     1  39       88.5  5.04       85.2  4.51       84.5  4.21 C 1 2 1  helix_pd   
     1  40       82.8  4.96       82.5  4.74       80.4  4.19 C 1 2 1  helix_pd   
     1  41       98.5  5.22       87.2  4.79          -     - C 1 2 1  helix_pd   
     1  42       90.0  5.08       87.8  4.58       84.6  4.60 C 1 2 1  helix_pd   
     1  43       90.6  5.15       88.3  4.84       81.6  4.25 C 1 2 1  helix_pd   
     1  44          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  45       86.3  4.90       85.6  4.22       85.1  4.46 C 1 2 1  helix_pd   
     1  46       84.9  4.56       81.1  4.22       78.3  4.77 C 1 2 1  helix_pd   
     1  47       88.2  4.99       85.3  4.06       84.1  4.80 C 1 2 1  helix_pd   
     1  48       89.6  5.13       84.8  4.54       83.1  4.24 C 1 2 1  helix_pd   
     1  49       91.8  4.83       85.7  4.60       84.7  4.61 C 1 2 1  helix_pd   
     1  50      102.0  5.42          -     -          -     - C 1 2 1  helix_pd   
     1  51       91.5  4.76       86.9  4.85       85.8  4.53 C 1 2 1  helix_pd   
     1  52       90.1  4.46       80.2  4.71       78.9  3.98 C 1 2 1  helix_pd   
     1  53          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  54       84.0  4.39       81.6  4.20       80.5  4.56 C 1 2 1  helix_pd   
     1  55       85.9  4.28       83.6  4.28       81.2  5.03 C 1 2 1  helix_pd   
     1  56       80.1  4.60       75.3  4.66       72.6  4.79 C 1 2 1  helix_pd   
     1  57       96.3  5.83          -     -          -     - C 1 2 1  helix_pd   
     1  58       88.6  4.41       84.1  4.45       83.1  5.42 C 1 2 1  helix_pd   
     1  59       85.7  4.90          -     -          -     - C 1 2 1  helix_pd   
     1  60          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  61       88.5  4.24       84.3  4.87       83.5  3.99 C 1 2 1  helix_pd   
     1  62       86.3  4.54       83.4  4.85       79.0  4.70 C 1 2 1  helix_pd   
     1  63          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  64       88.1  5.26       83.5  4.47       76.4  4.46 C 1 2 1  helix_pd   
     1  65          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  66          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  67       82.0  5.32       81.9  4.61       75.3  4.53 C 1 2 1  helix_pd   
     1  68          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  69       84.8  4.87          -     -          -     - C 1 2 1  helix_pd   
     1  70       74.9  4.66       74.1  5.15       72.3  4.55 C 1 2 1  helix_pd   
     1  71       92.6  5.06       88.3  4.75          -     - C 1 2 1  helix_pd   
     1  72       85.6  5.03          -     -          -     - C 1 2 1  helix_pd   
     1  73       87.2  4.60       79.4  4.60       78.4  4.85 C 1 2 1  helix_pd   
     1  74       85.3  5.07          -     -          -     - C 1 2 1  helix_pd   
     1  75      104.3  6.61       89.8  4.84          -     - C 1 2 1  helix_pd   
     1  76       85.7  4.82          -     -          -     - C 1 2 1  helix_pd   
     1  77       85.0  4.52       83.8  4.54       77.1  4.49 C 1 2 1  helix_pd   
     1  78          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  79          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  80          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  81       83.2  4.19       81.1  4.60       78.5  4.21 C 1 2 1  helix_pd   
     1  82          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  83       93.6  5.58          -     -          -     - C 1 2 1  helix_pd   
     1  84          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  85       71.9  4.67          -     -          -     - C 1 2 1  helix_pd   
     1  86       79.9  5.00          -     -          -     - C 1 2 1  helix_pd   
     1  87          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  88       72.6  4.67          -     -          -     - C 1 2 1  helix_pd   
     1  89       79.4  4.65       75.5  4.63          -     - C 1 2 1  helix_pd   
     1  90       86.0  4.55       77.7  4.22       74.7  4.52 C 1 2 1  helix_pd   
     1  91       83.1  4.85          -     -          -     - C 1 2 1  helix_pd   
     1  92          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  93       79.5  5.20       75.0  5.38       73.5  5.01 C 1 2 1  helix_pd   
     1  94       83.4  4.81       76.1  4.48       75.0  4.49 C 1 2 1  helix_pd   
     1  95          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  96          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  97          -     -          -     -          -     - C 1 2 1  helix_pd   
     1  98       82.7  4.76       75.3  4.44       74.8  4.47 C 1 2 1  helix_pd   
     1  99          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 100          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 101       83.1  4.16       79.7  4.13       77.0  4.67 C 1 2 1  helix_pd   
     1 102          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 103          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 104       91.9  5.51          -     -          -     - C 1 2 1  helix_pd   
     1 105          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 106          -     -          -     -          -     - C 1 2 1  helix_pd   
     1 107*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 108*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 109*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 110*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 111*      78.6  4.34       78.4  4.62       76.2  4.37 C 1 2 1  helix_pd   
     1 112*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 113*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 114*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 115*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 116*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 117*      80.2  4.43       78.8  5.17       72.8  4.37 C 1 2 1  helix_pd   
     1 118*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 119*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 120*      85.0  4.62       76.9  4.51       76.6  4.40 C 1 2 1  helix_pd   
     1 121*      82.8  5.09          -     -          -     - C 1 2 1  helix_pd   
     1 122*      82.4  5.02       81.8  5.20       76.9  4.75 C 1 2 1  helix_pd   
     1 123*      90.3  4.91          -     -          -     - C 1 2 1  helix_pd   
     1 124*      91.4  5.92          -     -          -     - C 1 2 1  helix_pd   
     1 125*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 126*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 127*      76.8  4.44          -     -          -     - C 1 2 1  helix_pd   
     1 128*      85.6  5.36          -     -          -     - C 1 2 1  helix_pd   
     1 129*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 130*      90.0  5.31          -     -          -     - C 1 2 1  helix_pd   
     1 131*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 132*      76.4  4.44       76.0  4.32       75.4  4.73 C 1 2 1  helix_pd   
     1 133*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 134*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 135*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 136*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 137*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 138*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 139*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 140*      89.8  5.33          -     -          -     - C 1 2 1  helix_pd   
     1 141*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 142*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 143*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 144*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 145*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 146*      79.0  4.51       71.0  5.42          -     - C 1 2 1  helix_pd   
     1 147*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 148*      80.8  4.81       78.7  4.30       77.6  4.95 C 1 2 1  helix_pd   
     1 149*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 150*      77.0  4.42       76.9  4.53       73.5  4.43 C 1 2 1  helix_pd   
     1 151*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 152*      74.9  4.65       69.0  4.76          -     - C 1 2 1  helix_pd   
     1 153*      66.7  4.82          -     -          -     - C 1 2 1  helix_pd   
     1 154*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 155*      74.5  4.60       69.0  4.40       68.5  4.85 C 1 2 1  helix_pd   
     1 156*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 157*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 158*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 159*      90.1  5.46          -     -          -     - C 1 2 1  helix_pd   
     1 160*      71.0  4.72       70.5  4.93          -     - C 1 2 1  helix_pd   
     1 161*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 162*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 163*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 164*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 165*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 166*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 167*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 168*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 169*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 170*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 171*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 172*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 173*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 174*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 175*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 176*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 177*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 178*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 179*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 180*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 181*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 182*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 183*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 184*      77.4  4.75       74.5  5.02       70.2  4.82 C 1 2 1  helix_pd   
     1 185*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 186*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 187*      77.3  5.23       73.7  4.64       73.4  4.62 C 1 2 1  helix_pd   
     1 188*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 189*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 190*      74.6  4.85          -     -          -     - C 1 2 1  helix_pd   
     1 191*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 192*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 193*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 194*      98.6  6.74          -     -          -     - C 1 2 1  helix_pd   
     1 195*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 196*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 197*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 198*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 199*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 200*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 201*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 202*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 203*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 204*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 205*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 206*      91.1  5.74          -     -          -     - C 1 2 1  helix_pd   
     1 207*      91.2  5.98          -     -          -     - C 1 2 1  helix_pd   
     1 208*      72.9  5.45       72.8  4.88          -     - C 1 2 1  helix_pd   
     1 209*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 210*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 211*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 212*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 213*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 214*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 215*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 216*      77.0  5.11       76.9  4.96       73.9  4.85 C 1 2 1  helix_pd   
     1 217*      71.8  4.70       68.5  4.53       66.8  4.66 C 1 2 1  helix_pd   
     1 218*      75.9  4.49       73.1  4.54       73.0  4.94 C 1 2 1  helix_pd   
     1 219*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 220*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 221*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 222*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 223*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 224*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 225*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 226*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 227*      69.2  4.13       66.6  4.26       65.1  4.40 C 1 2 1  helix_pd   
     1 228*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 229*      66.6  4.87          -     -          -     - C 1 2 1  helix_pd   
     1 230*      77.7  5.84       72.3  4.90       67.5  4.71 C 1 2 1  helix_pd   
     1 231*      79.7  5.24          -     -          -     - C 1 2 1  helix_pd   
     1 232*      84.0  5.11          -     -          -     - C 1 2 1  helix_pd   
     1 233*      67.7  4.46       65.3  4.68       60.5  4.71 C 1 2 1  helix_pd   
     1 234*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 235*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 236*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 237*      79.2  5.09       74.7  4.91       72.2  4.76 C 1 2 1  helix_pd   
     1 238*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 239*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 240*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 241*      75.9  4.99       68.7  5.24          -     - C 1 2 1  helix_pd   
     1 242*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 243*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 244*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 245*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 246*      90.0  4.98       77.5  5.44       76.8  4.54 C 1 2 1  helix_pd   
     1 247*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 248*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 249*      71.7  4.64       67.6  4.89          -     - C 1 2 1  helix_pd   
     1 250*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 251*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 252*      89.8  5.84          -     -          -     - C 1 2 1  helix_pd   
     1 253*      75.0  4.91       70.3  4.62       69.4  4.61 C 1 2 1  helix_pd   
     1 254*      75.7  4.42          -     -          -     - C 1 2 1  helix_pd   
     1 255*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 256*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 257*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 258*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 259*      64.2  4.53       63.7  4.75       59.9  4.97 C 1 2 1  helix_pd   
     1 260*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 261*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 262*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 263*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 264*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 265*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 266*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 267*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 268*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 269*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 270*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 271*      73.9  5.41       67.5  5.07          -     - C 1 2 1  helix_pd   
     1 272*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 273*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 274*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 275*      68.8  5.74       64.9  4.49          -     - C 1 2 1  helix_pd   
     1 276*      81.3  5.63          -     -          -     - C 1 2 1  helix_pd   
     1 277*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 278*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 279*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 280*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 281*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 282*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 283*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 284*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 285*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 286*      67.8  5.00          -     -          -     - C 1 2 1  helix_pd   
     1 287*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 288*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 289*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 290*      72.1  5.16       70.6  5.23       67.0  5.03 C 1 2 1  helix_pd   
     1 291*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 292*         -     -          -     -          -     - C 1 2 1  helix_pd   
     1 293*      56.0  4.60          -     -          -     - C 1 2 1  helix_pd   
   --- ---
     2   1       99.7  5.29       88.8  4.06       87.1  4.27 C 1 2 1  helix_pd   
     2   2       88.9  4.61       85.8  4.16       84.6  4.49 C 1 2 1  helix_pd   
     2   3       84.7  4.29       84.2  4.36       82.9  4.01 C 1 2 1  helix_pd   
     2   4       87.0  4.85       85.9  4.15       85.5  4.56 C 1 2 1  helix_pd   
     2   5       87.7  4.67       87.0  4.46       85.9  3.93 C 1 2 1  helix_pd   
     2   6       92.0  4.65       87.3  4.44       83.3  4.36 C 1 2 1  helix_pd   
     2   7       89.0  4.27       84.3  4.85       81.8  4.10 C 1 2 1  helix_pd   
     2   8       91.2  4.38       89.1  4.40       85.0  4.28 C 1 2 1  helix_pd   
     2   9       89.3  4.68       84.9  4.19       83.8  4.98 C 1 2 1  helix_pd   
     2  10       96.6  5.24       84.7  4.32       81.5  4.56 C 1 2 1  helix_pd   
     2  11       90.7  4.43       79.6  4.20       78.1  4.29 C 1 2 1  helix_pd   
     2  12       86.1  5.14       85.8  4.26       83.6  4.97 C 1 2 1  helix_pd   
     2  13       88.1  5.01       83.6  4.19       82.3  4.62 C 1 2 1  helix_pd   
     2  14       87.3  4.72       86.4  4.37       83.1  4.36 C 1 2 1  helix_pd   
     2  15       85.5  4.74          -     -          -     - C 1 2 1  helix_pd   
     2  16       83.1  4.26       83.0  4.07       82.1  4.15 C 1 2 1  helix_pd   
     2  17       84.9  4.83       83.5  4.59       76.5  4.27 C 1 2 1  helix_pd   
     2  18       77.6  4.39       72.8  4.43       71.8  4.46 C 1 2 1  helix_pd   
     2  19       95.1  5.11       86.3  4.79       84.4  4.95 C 1 2 1  helix_pd   
     2  20       89.2  4.30       80.9  4.31          -     - C 1 2 1  helix_pd   
     2  21       83.7  4.50       81.3  4.43       80.9  4.44 C 1 2 1  helix_pd   
     2  22       83.5  4.61       76.0  4.55          -     - C 1 2 1  helix_pd   
     2  23       85.2  4.51       83.4  4.06       83.0  4.96 C 1 2 1  helix_pd   
     2  24       88.9  4.27       86.1  4.27       83.1  4.36 C 1 2 1  helix_pd   
     2  25       86.3  4.51       80.5  5.28       79.1  4.42 C 1 2 1  helix_pd   
     2  26       89.1  4.82       83.5  4.55          -     - C 1 2 1  helix_pd   
     2  27       86.9  4.76       83.8  5.10          -     - C 1 2 1  helix_pd   
     2  28          -     -          -     -          -     - C 1 2 1  helix_pd   
     2  29       86.3  4.61       81.0  4.91       79.0  4.72 C 1 2 1  helix_pd   
     2  30       85.1  4.35       82.8  4.24       82.7  4.71 C 1 2 1  helix_pd   
     2  31          -     -          -     -          -     - C 1 2 1  helix_pd   
     2  32       99.7  5.70       84.9  5.05          -     - C 1 2 1  helix_pd   
     2  33      104.1  6.00       90.7  5.11       87.3  4.47 C 1 2 1  helix_pd   
     2  34       79.2  4.22       78.3  4.23       77.9  3.92 C 1 2 1  helix_pd   
     2  35       87.3  4.50       87.2  5.43       85.8  4.70 C 1 2 1  helix_pd   
     2  36       84.5  4.25       84.1  4.57       83.1  4.68 C 1 2 1  helix_pd   
     2  37       82.9  4.75       82.9  4.56       77.7  4.48 C 1 2 1  helix_pd   
     2  38       83.1  4.44       81.8  4.34       80.6  4.32 C 1 2 1  helix_pd   
     2  39       84.2  4.98          -     -          -     - C 1 2 1  helix_pd   
     2  40       83.6  4.47       78.5  4.45       76.2  4.35 C 1 2 1  helix_pd   
     2  41       86.3  4.70       85.1  4.63       76.9  4.41 C 1 2 1  helix_pd   
     2  42       81.6  4.83          -     -          -     - C 1 2 1  helix_pd   
     2  43       79.5  4.40       77.8  4.31       75.0  4.39 C 1 2 1  helix_pd   
     2  44       80.9  4.35       80.4  4.36       75.4  4.62 C 1 2 1  helix_pd   
     2  45       93.0  5.30       85.2  4.49       82.1  4.51 C 1 2 1  helix_pd   
     2  46       80.7  4.21       80.5  4.29       78.6  4.26 C 1 2 1  helix_pd   
     2  47       91.6  4.90          -     -          -     - C 1 2 1  helix_pd   
     2  48       81.0  4.56          -     -          -     - C 1 2 1  helix_pd   
     2  49       78.5  4.61       71.3  4.37       70.9  4.22 C 1 2 1  helix_pd   
     2  50          -     -          -     -          -     - C 1 2 1  helix_pd   
     2  51       93.5  5.06          -     -          -     - C 1 2 1  helix_pd   
     2  52       86.9  4.99          -     -          -     - C 1 2 1  helix_pd   
     2  53       91.6  5.48          -     -          -     - C 1 2 1  helix_pd   
     2  54       86.8  4.88       84.4  4.55       74.0  5.16 C 1 2 1  helix_pd   
     2  55       86.4  4.97          -     -          -     - C 1 2 1  helix_pd   
     2  56       89.2  4.96          -     -          -     - C 1 2 1  helix_pd   
     2  57       78.0  4.54       74.4  4.47       73.5  4.60 C 1 2 1  helix_pd   
     2  58       72.7  5.19          -     -          -     - C 1 2 1  helix_pd   
     2  59       98.8  5.58       87.0  4.84       85.0  5.01 C 1 2 1  helix_pd   
     2  60          -     -          -     -          -     - C 1 2 1  helix_pd   
     2  61       90.7  4.82          -     -          -     - C 1 2 1  helix_pd   
     2  62       77.5  4.87       74.0  4.15       73.3  4.60 C 1 2 1  helix_pd   
     2  63          -     -          -     -          -     - C 1 2 1  helix_pd   
     2  64      107.9  6.99          -     -          -     - C 1 2 1  helix_pd   
     2  65       88.3  4.90          -     -          -     - C 1 2 1  helix_pd   
     2  66          -     -          -     -          -     - C 1 2 1  helix_pd   
     2  67*      87.5  5.28       79.9  5.04          -     - C 1 2 1  helix_pd   
     2  68*      84.6  5.03          -     -          -     - C 1 2 1  helix_pd   
     2  69*      91.6  5.25          -     -          -     - C 1 2 1  helix_pd   
     2  70*      69.4  4.41       67.1  4.70          -     - C 1 2 1  helix_pd   
     2  71*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  72*      76.7  5.64       71.9  4.72          -     - C 1 2 1  helix_pd   
     2  73*      96.9  5.73          -     -          -     - C 1 2 1  helix_pd   
     2  74*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  75*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  76*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  77*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  78*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  79*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  80*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  81*      82.9  5.49       76.3  4.86       74.8  4.67 C 1 2 1  helix_pd   
     2  82*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  83*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  84*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  85*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  86*      70.8  4.88          -     -          -     - C 1 2 1  helix_pd   
     2  87*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  88*      92.7  5.29       79.7  5.02          -     - C 1 2 1  helix_pd   
     2  89*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  90*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  91*      74.2  4.72          -     -          -     - C 1 2 1  helix_pd   
     2  92*      76.4  4.84       76.1  5.08       71.7  4.42 C 1 2 1  helix_pd   
     2  93*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  94*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  95*      74.4  4.75       72.9  5.46       72.8  4.45 C 1 2 1  helix_pd   
     2  96*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  97*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2  98*      76.2  5.24          -     -          -     - C 1 2 1  helix_pd   
     2  99*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 100*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 101*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 102*      74.0  4.89          -     -          -     - C 1 2 1  helix_pd   
     2 103*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 104*      90.5  5.43          -     -          -     - C 1 2 1  helix_pd   
     2 105*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 106*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 107*      92.2  5.56          -     -          -     - C 1 2 1  helix_pd   
     2 108*      73.6  4.85       73.0  4.90       72.0  4.59 C 1 2 1  helix_pd   
     2 109*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 110*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 111*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 112*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 113*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 114*      74.1  4.49       72.7  4.79       71.4  5.54 C 1 2 1  helix_pd   
     2 115*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 116*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 117*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 118*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 119*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 120*      70.1  4.77       69.0  4.72          -     - C 1 2 1  helix_pd   
     2 121*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 122*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 123*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 124*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 125*      86.1  5.23          -     -          -     - C 1 2 1  helix_pd   
     2 126*      95.6  6.18       84.4  5.32          -     - C 1 2 1  helix_pd   
     2 127*      92.2  5.41          -     -          -     - C 1 2 1  helix_pd   
     2 128*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 129*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 130*      74.0  4.59          -     -          -     - C 1 2 1  helix_pd   
     2 131*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 132*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 133*      74.8  4.68       73.4  4.62       71.7  4.69 C 1 2 1  helix_pd   
     2 134*      70.7  4.88          -     -          -     - C 1 2 1  helix_pd   
     2 135*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 136*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 137*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 138*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 139*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 140*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 141*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 142*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 143*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 144*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 145*      80.9  4.68          -     -          -     - C 1 2 1  helix_pd   
     2 146*      72.1  4.52       66.5  4.56          -     - C 1 2 1  helix_pd   
     2 147*      90.7  5.98          -     -          -     - C 1 2 1  helix_pd   
     2 148*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 149*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 150*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 151*      64.5  4.68          -     -          -     - C 1 2 1  helix_pd   
     2 152*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 153*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 154*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 155*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 156*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 157*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 158*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 159*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 160*      69.6  4.66       65.7  4.76          -     - C 1 2 1  helix_pd   
     2 161*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 162*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 163*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 164*      67.5  5.08          -     -          -     - C 1 2 1  helix_pd   
     2 165*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 166*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 167*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 168*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 169*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 170*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 171*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 172*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 173*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 174*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 175*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 176*      90.9  5.58          -     -          -     - C 1 2 1  helix_pd   
     2 177*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 178*      91.0  5.66          -     -          -     - C 1 2 1  helix_pd   
     2 179*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 180*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 181*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 182*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 183*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 184*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 185*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 186*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 187*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 188*      70.3  4.73       68.0  5.18          -     - C 1 2 1  helix_pd   
     2 189*      71.4  4.52       68.0  4.49       63.6  4.47 C 1 2 1  helix_pd   
     2 190*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 191*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 192*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 193*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 194*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 195*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 196*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 197*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 198*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 199*      71.9  4.98       67.8  5.04          -     - C 1 2 1  helix_pd   
     2 200*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 201*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 202*      78.4  4.71       69.9  4.74          -     - C 1 2 1  helix_pd   
     2 203*      74.7  5.55          -     -          -     - C 1 2 1  helix_pd   
     2 204*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 205*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 206*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 207*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 208*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 209*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 210*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 211*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 212*      75.6  4.43       70.7  4.26          -     - C 1 2 1  helix_pd   
     2 213*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 214*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 215*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 216*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 217*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 218*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 219*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 220*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 221*      74.8  5.42          -     -          -     - C 1 2 1  helix_pd   
     2 222*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 223*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 224*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 225*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 226*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 227*      71.4  4.83       67.6  4.92          -     - C 1 2 1  helix_pd   
     2 228*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 229*      72.5  5.31          -     -          -     - C 1 2 1  helix_pd   
     2 230*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 231*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 232*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 233*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 234*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 235*      71.8  5.23       66.1  4.92          -     - C 1 2 1  helix_pd   
     2 236*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 237*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 238*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 239*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 240*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 241*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 242*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 243*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 244*      62.6  5.27       61.6  4.57       57.8  5.15 C 1 2 1  helix_pd   
     2 245*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 246*         -     -          -     -          -     - C 1 2 1  helix_pd   
     2 247*      63.8  4.71          -     -          -     - C 1 2 1  helix_pd   
   --- ---
     3   1       88.7  4.47       86.5  4.36       85.0  3.92 C 1 2 1  helix_pd   
     3   2       88.8  5.19       87.9  4.32       86.3  4.40 C 1 2 1  helix_pd   
     3   3       86.9  4.65       83.4  4.70       82.5  3.84 C 1 2 1  helix_pd   
     3   4       87.1  4.40       84.2  4.00       81.8  3.96 C 1 2 1  helix_pd   
     3   5       84.4  4.60       83.3  4.08       81.8  4.04 C 1 2 1  helix_pd   
     3   6       83.3  4.83       82.3  4.48       81.0  4.61 C 1 2 1  helix_pd   
     3   7       89.2  4.79       87.8  5.53       83.4  4.13 C 1 2 1  helix_pd   
     3   8       81.2  4.03       79.4  4.02       79.0  4.43 C 1 2 1  helix_pd   
     3   9       88.0  4.55       84.8  4.79       84.6  4.03 C 1 2 1  helix_pd   
     3  10       82.2  4.46       81.3  4.14       81.2  4.87 C 1 2 1  helix_pd   
     3  11       86.5  5.27       86.4  4.55       82.5  4.20 C 1 2 1  helix_pd   
     3  12       82.7  4.21       82.5  4.37       82.3  4.81 C 1 2 1  helix_pd   
     3  13       81.7  4.19       81.4  4.46       81.1  4.41 C 1 2 1  helix_pd   
     3  14       87.4  4.41       84.4  5.42       82.3  4.87 C 1 2 1  helix_pd   
     3  15       87.0  4.65       86.1  5.18       85.7  4.77 C 1 2 1  helix_pd   
     3  16       80.7  4.41       80.5  4.75       80.2  4.44 C 1 2 1  helix_pd   
     3  17       82.3  5.00       82.0  4.73       81.7  4.69 C 1 2 1  helix_pd   
     3  18       81.9  4.31       79.6  4.21       79.5  4.21 C 1 2 1  helix_pd   
     3  19       82.5  4.83       81.2  4.28       81.0  4.22 C 1 2 1  helix_pd   
     3  20       89.8  5.11       88.4  5.17       83.2  4.46 C 1 2 1  helix_pd   
     3  21       88.7  4.69       84.2  4.79       84.2  5.08 C 1 2 1  helix_pd   
     3  22       82.8  4.53       80.0  4.55       79.0  4.82 C 1 2 1  helix_pd   
     3  23       85.9  4.63          -     -          -     - C 1 2 1  helix_pd   
     3  24       84.9  4.56       83.1  4.50       82.9  4.32 C 1 2 1  helix_pd   
     3  25       84.2  4.54       81.7  4.44       81.2  4.91 C 1 2 1  helix_pd   
     3  26       83.4  4.83       78.6  4.46       76.2  4.72 C 1 2 1  helix_pd   
     3  27       86.4  4.57       85.7  4.34       83.4  4.24 C 1 2 1  helix_pd   
     3  28       83.8  4.67       79.9  4.64       79.3  4.51 C 1 2 1  helix_pd   
     3  29       86.1  4.26       85.9  4.35       85.0  4.25 C 1 2 1  helix_pd   
     3  30       81.9  4.32       76.4  4.28       75.1  4.28 C 1 2 1  helix_pd   
     3  31       86.6  4.45       84.5  4.51       83.2  4.61 C 1 2 1  helix_pd   
     3  32       83.4  4.51       81.2  4.45       74.1  4.54 C 1 2 1  helix_pd   
     3  33          -     -          -     -          -     - C 1 2 1  helix_pd   
     3  34       79.0  4.40       77.1  4.38       74.9  4.55 C 1 2 1  helix_pd   
     3  35       85.8  4.36       82.1  4.49       80.4  4.52 C 1 2 1  helix_pd   
     3  36       84.3  4.57          -     -          -     - C 1 2 1  helix_pd   
     3  37       87.2  4.85       84.2  4.77       84.1  4.98 C 1 2 1  helix_pd   
     3  38       74.3  4.73          -     -          -     - C 1 2 1  helix_pd   
     3  39       86.8  5.33       84.8  4.74       78.6  4.55 C 1 2 1  helix_pd   
     3  40       83.1  4.79       82.3  4.86       80.1  5.29 C 1 2 1  helix_pd   
     3  41       81.7  5.13       80.2  4.21       77.6  4.49 C 1 2 1  helix_pd   
     3  42       86.4  5.00       81.0  4.39       81.0  4.40 C 1 2 1  helix_pd   
     3  43       85.3  4.88          -     -          -     - C 1 2 1  helix_pd   
     3  44       79.6  4.45       77.0  4.42       75.9  4.79 C 1 2 1  helix_pd   
     3  45       82.6  4.86       80.5  4.58       76.8  4.83 C 1 2 1  helix_pd   
     3  46       82.7  5.22          -     -          -     - C 1 2 1  helix_pd   
     3  47       80.8  4.99          -     -          -     - C 1 2 1  helix_pd   
     3  48       84.5  4.74       84.2  4.85       80.1  4.82 C 1 2 1  helix_pd   
     3  49       79.1  4.35       76.6  4.70       76.4  4.31 C 1 2 1  helix_pd   
     3  50       83.1  4.59       71.1  4.63          -     - C 1 2 1  helix_pd   
     3  51          -     -          -     -          -     - C 1 2 1  helix_pd   
     3  52       81.6  4.79       78.1  4.18       77.3  4.22 C 1 2 1  helix_pd   
     3  53       82.3  5.37          -     -          -     - C 1 2 1  helix_pd   
     3  54          -     -          -     -          -     - C 1 2 1  helix_pd   
     3  55       81.6  4.97          -     -          -     - C 1 2 1  helix_pd   
     3  56*      80.8  4.62          -     -          -     - C 1 2 1  helix_pd   
     3  57*      79.6  4.66          -     -          -     - C 1 2 1  helix_pd   
     3  58*      80.2  4.87       80.0  5.87       73.8  4.71 C 1 2 1  helix_pd   
     3  59*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  60*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  61*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  62*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  63*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  64*      76.4  4.88       71.1  5.20       70.3  5.23 C 1 2 1  helix_pd   
     3  65*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  66*      78.9  4.37       75.4  4.40       73.7  4.35 C 1 2 1  helix_pd   
     3  67*      79.6  4.37       79.3  4.78       79.0  4.40 C 1 2 1  helix_pd   
     3  68*      78.6  4.85       78.0  5.56       69.8  4.76 C 1 2 1  helix_pd   
     3  69*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  70*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  71*      82.9  5.31       81.1  4.78       78.4  5.02 C 1 2 1  helix_pd   
     3  72*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  73*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  74*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  75*      77.2  4.93       72.1  5.04          -     - C 1 2 1  helix_pd   
     3  76*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  77*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  78*      82.3  4.69       81.4  4.50       79.1  4.86 C 1 2 1  helix_pd   
     3  79*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  80*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  81*      83.7  5.02       80.9  4.50       79.4  4.57 C 1 2 1  helix_pd   
     3  82*      83.2  4.89          -     -          -     - C 1 2 1  helix_pd   
     3  83*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  84*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  85*      79.1  4.93       78.9  5.08       78.3  4.73 C 1 2 1  helix_pd   
     3  86*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  87*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  88*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  89*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  90*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  91*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  92*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  93*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  94*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  95*      71.2  4.59       71.0  4.54       68.7  4.83 C 1 2 1  helix_pd   
     3  96*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  97*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3  98*      73.8  5.28          -     -          -     - C 1 2 1  helix_pd   
     3  99*      86.9  5.50       78.9  5.01          -     - C 1 2 1  helix_pd   
     3 100*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 101*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 102*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 103*      76.2  4.97       73.4  5.11          -     - C 1 2 1  helix_pd   
     3 104*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 105*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 106*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 107*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 108*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 109*      76.7  4.94          -     -          -     - C 1 2 1  helix_pd   
     3 110*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 111*      79.9  5.70       71.6  5.23          -     - C 1 2 1  helix_pd   
     3 112*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 113*      76.9  5.08          -     -          -     - C 1 2 1  helix_pd   
     3 114*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 115*      84.2  4.94       77.1  4.89       75.9  4.64 C 1 2 1  helix_pd   
     3 116*      81.9  5.21       71.9  4.96          -     - C 1 2 1  helix_pd   
     3 117*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 118*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 119*      75.4  4.57       72.3  4.60          -     - C 1 2 1  helix_pd   
     3 120*      86.4  5.36          -     -          -     - C 1 2 1  helix_pd   
     3 121*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 122*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 123*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 124*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 125*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 126*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 127*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 128*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 129*      76.5  5.05          -     -          -     - C 1 2 1  helix_pd   
     3 130*      74.4  4.84       72.1  4.75       70.4  4.99 C 1 2 1  helix_pd   
     3 131*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 132*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 133*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 134*      77.6  5.20       74.4  4.58       74.4  4.47 C 1 2 1  helix_pd   
     3 135*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 136*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 137*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 138*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 139*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 140*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 141*      77.2  5.34       74.4  4.58       74.0  4.59 C 1 2 1  helix_pd   
     3 142*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 143*      77.1  5.39       72.6  4.70       71.1  5.00 C 1 2 1  helix_pd   
     3 144*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 145*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 146*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 147*      74.4  4.71       69.2  4.95       67.6  4.63 C 1 2 1  helix_pd   
     3 148*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 149*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 150*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 151*      82.6  5.31       81.4  5.39       73.2  4.82 C 1 2 1  helix_pd   
     3 152*      78.8  5.99       71.0  4.64       70.8  4.76 C 1 2 1  helix_pd   
     3 153*      80.7  5.01       76.4  5.28          -     - C 1 2 1  helix_pd   
     3 154*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 155*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 156*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 157*      72.9  4.65       70.0  4.54       66.8  4.80 C 1 2 1  helix_pd   
     3 158*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 159*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 160*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 161*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 162*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 163*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 164*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 165*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 166*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 167*      74.5  5.40       74.3  5.30       72.5  5.01 C 1 2 1  helix_pd   
     3 168*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 169*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 170*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 171*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 172*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 173*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 174*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 175*      78.5  4.85          -     -          -     - C 1 2 1  helix_pd   
     3 176*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 177*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 178*      75.8  5.12       75.1  5.33       74.3  4.71 C 1 2 1  helix_pd   
     3 179*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 180*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 181*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 182*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 183*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 184*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 185*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 186*      78.9  5.26       77.0  5.01       76.3  5.10 C 1 2 1  helix_pd   
     3 187*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 188*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 189*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 190*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 191*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 192*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 193*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 194*      70.8  4.36       69.8  4.16       69.2  4.43 C 1 2 1  helix_pd   
     3 195*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 196*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 197*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 198*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 199*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 200*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 201*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 202*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 203*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 204*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 205*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 206*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 207*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 208*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 209*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 210*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 211*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 212*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 213*      67.7  4.73       64.7  4.55       64.4  4.32 C 1 2 1  helix_pd   
     3 214*         -     -          -     -          -     - C 1 2 1  helix_pd   
     3 215*      69.5  4.95       66.1  4.97          -     - C 1 2 1  helix_pd   
     3 216*         -     -          -     -          -     - C 1 2 1  helix_pd   
   --- ---
     4   1       89.7  4.23       88.9  5.22       84.4  4.05 C 1 2 1  helix_pd   
     4   2       86.6  4.19       81.6  4.10       81.5  4.25 C 1 2 1  helix_pd   
     4   3       81.6  4.11       80.9  4.25       80.7  4.20 C 1 2 1  helix_pd   
     4   4       93.5  5.64       87.0  4.70       86.1  4.14 C 1 2 1  helix_pd   
     4   5       86.7  4.53       84.4  4.57       83.4  4.72 C 1 2 1  helix_pd   
     4   6       87.2  4.47       87.1  4.21       86.3  4.68 C 1 2 1  helix_pd   
     4   7       89.0  4.22       87.0  4.46       84.9  3.90 C 1 2 1  helix_pd   
     4   8       90.9  4.79       86.4  4.72       83.1  4.56 C 1 2 1  helix_pd   
     4   9       85.4  4.64       84.9  4.10       82.5  4.06 C 1 2 1  helix_pd   
     4  10       90.3  4.85       84.5  4.32       79.0  4.39 C 1 2 1  helix_pd   
     4  11       84.1  4.88       80.3  4.40       77.7  4.65 C 1 2 1  helix_pd   
     4  12       82.1  4.13       79.8  4.01       78.2  4.01 C 1 2 1  helix_pd   
     4  13          -     -          -     -          -     - C 1 2 1  helix_pd   
     4  14       86.5  4.52       80.6  4.31       79.4  4.66 C 1 2 1  helix_pd   
     4  15       87.8  5.33       76.0  4.51          -     - C 1 2 1  helix_pd   
     4  16       80.7  5.26       78.3  5.10       78.3  4.73 C 1 2 1  helix_pd   
     4  17       78.8  4.42       72.8  4.49          -     - C 1 2 1  helix_pd   
     4  18       77.7  4.61       75.6  4.61          -     - C 1 2 1  helix_pd   
     4  19       83.1  4.51       82.0  4.28       79.0  4.35 C 1 2 1  helix_pd   
     4  20       79.4  4.23       73.5  4.65       69.5  4.38 C 1 2 1  helix_pd   
     4  21       82.7  4.29       82.4  4.37       78.7  3.94 C 1 2 1  helix_pd   
     4  22       80.7  4.28       76.8  4.33          -     - C 1 2 1  helix_pd   
     4  23       82.7  4.46       80.4  4.17       79.1  4.15 C 1 2 1  helix_pd   
     4  24       91.9  5.22          -     -          -     - C 1 2 1  helix_pd   
     4  25       82.1  4.55       76.9  4.36       73.6  4.32 C 1 2 1  helix_pd   
     4  26       81.7  5.19       79.1  5.08          -     - C 1 2 1  helix_pd   
     4  27       81.8  4.61          -     -          -     - C 1 2 1  helix_pd   
     4  28       86.3  4.49       85.0  5.03       78.9  4.37 C 1 2 1  helix_pd   
     4  29       86.3  4.93       85.3  4.76       81.0  4.57 C 1 2 1  helix_pd   
     4  30       85.7  5.09       84.7  4.57       79.7  4.60 C 1 2 1  helix_pd   
     4  31       82.8  4.36       81.2  4.72       80.0  4.40 C 1 2 1  helix_pd   
     4  32       83.9  4.69          -     -          -     - C 1 2 1  helix_pd   
     4  33       81.6  4.60       81.3  4.84       80.4  4.92 C 1 2 1  helix_pd   
     4  34          -     -          -     -          -     - C 1 2 1  helix_pd   
     4  35       84.3  4.42       84.2  4.81       83.3  5.12 C 1 2 1  helix_pd   
     4  36       82.2  4.62       79.0  4.55          -     - C 1 2 1  helix_pd   
     4  37       84.8  4.79       82.3  4.47       78.8  5.02 C 1 2 1  helix_pd   
     4  38          -     -          -     -          -     - C 1 2 1  helix_pd   
     4  39       84.9  5.14          -     -          -     - C 1 2 1  helix_pd   
     4  40       91.3  5.11          -     -          -     - C 1 2 1  helix_pd   
     4  41          -     -          -     -          -     - C 1 2 1  helix_pd   
     4  42       79.9  4.43          -     -          -     - C 1 2 1  helix_pd   
     4  43       78.6  4.38       78.0  4.39       77.8  4.39 C 1 2 1  helix_pd   
     4  44       78.6  4.10       75.9  4.26       74.1  4.30 C 1 2 1  helix_pd   
     4  45          -     -          -     -          -     - C 1 2 1  helix_pd   
     4  46       76.1  4.49          -     -          -     - C 1 2 1  helix_pd   
     4  47          -     -          -     -          -     - C 1 2 1  helix_pd   
     4  48          -     -          -     -          -     - C 1 2 1  helix_pd   
     4  49       85.8  5.02       84.4  4.81          -     - C 1 2 1  helix_pd   
     4  50       81.8  5.02          -     -          -     - C 1 2 1  helix_pd   
     4  51       77.9  4.27       77.5  4.35       75.6  4.26 C 1 2 1  helix_pd   
     4  52       82.1  4.85       79.2  4.85       76.2  4.74 C 1 2 1  helix_pd   
     4  53*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  54*      78.0  4.41       73.9  4.32       68.2  4.51 C 1 2 1  helix_pd   
     4  55*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  56*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  57*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  58*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  59*      79.6  4.60       69.6  5.02          -     - C 1 2 1  helix_pd   
     4  60*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  61*      91.7  5.72          -     -          -     - C 1 2 1  helix_pd   
     4  62*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  63*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  64*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  65*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  66*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  67*      69.6  4.54          -     -          -     - C 1 2 1  helix_pd   
     4  68*      81.6  4.51       72.0  4.45          -     - C 1 2 1  helix_pd   
     4  69*      86.3  4.84       83.3  5.11          -     - C 1 2 1  helix_pd   
     4  70*      76.2  5.51       74.4  5.06       70.4  4.98 C 1 2 1  helix_pd   
     4  71*      83.5  5.21          -     -          -     - C 1 2 1  helix_pd   
     4  72*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  73*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  74*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  75*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  76*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  77*      79.6  4.91          -     -          -     - C 1 2 1  helix_pd   
     4  78*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  79*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  80*      82.8  4.92          -     -          -     - C 1 2 1  helix_pd   
     4  81*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  82*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  83*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  84*      84.5  4.76       73.4  4.79          -     - C 1 2 1  helix_pd   
     4  85*      79.9  5.61       70.6  5.26          -     - C 1 2 1  helix_pd   
     4  86*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  87*      84.3  5.29          -     -          -     - C 1 2 1  helix_pd   
     4  88*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  89*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  90*      78.1  4.76       76.9  4.55          -     - C 1 2 1  helix_pd   
     4  91*      92.8  5.81          -     -          -     - C 1 2 1  helix_pd   
     4  92*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  93*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  94*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  95*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  96*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  97*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  98*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4  99*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 100*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 101*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 102*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 103*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 104*      75.6  5.02       75.5  4.78       74.5  4.60 C 1 2 1  helix_pd   
     4 105*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 106*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 107*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 108*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 109*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 110*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 111*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 112*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 113*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 114*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 115*      75.5  4.89       74.7  4.77       71.0  4.69 C 1 2 1  helix_pd   
     4 116*      72.8  4.93          -     -          -     - C 1 2 1  helix_pd   
     4 117*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 118*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 119*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 120*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 121*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 122*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 123*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 124*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 125*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 126*      71.6  5.12          -     -          -     - C 1 2 1  helix_pd   
     4 127*      86.0  5.73          -     -          -     - C 1 2 1  helix_pd   
     4 128*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 129*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 130*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 131*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 132*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 133*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 134*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 135*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 136*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 137*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 138*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 139*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 140*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 141*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 142*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 143*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 144*      70.2  4.99          -     -          -     - C 1 2 1  helix_pd   
     4 145*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 146*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 147*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 148*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 149*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 150*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 151*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 152*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 153*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 154*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 155*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 156*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 157*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 158*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 159*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 160*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 161*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 162*      70.9  4.53       69.0  4.24       67.5  4.28 C 1 2 1  helix_pd   
     4 163*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 164*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 165*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 166*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 167*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 168*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 169*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 170*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 171*      74.4  4.77       69.2  4.63       68.8  4.88 C 1 2 1  helix_pd   
     4 172*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 173*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 174*      65.3  4.82          -     -          -     - C 1 2 1  helix_pd   
     4 175*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 176*      65.1  4.46          -     -          -     - C 1 2 1  helix_pd   
     4 177*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 178*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 179*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 180*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 181*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 182*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 183*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 184*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 185*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 186*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 187*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 188*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 189*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 190*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 191*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 192*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 193*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 194*         -     -          -     -          -     - C 1 2 1  helix_pd   
     4 195*         -     -          -     -          -     - C 1 2 1  helix_pd   
   --- ---
     5   1       88.4  4.07       84.8  3.97       83.6  4.00 C 1 2 1  helix_pd   
     5   2       83.4  4.01       82.0  4.30       81.3  3.86 C 1 2 1  helix_pd   
     5   3       89.0  4.57       78.7  4.33       78.2  4.06 C 1 2 1  helix_pd   
     5   4       86.1  4.22       80.4  4.45       79.1  4.26 C 1 2 1  helix_pd   
     5   5       84.1  4.42       82.5  5.02       81.7  4.53 C 1 2 1  helix_pd   
     5   6       87.8  4.84       84.0  4.25       81.7  4.06 C 1 2 1  helix_pd   
     5   7       79.6  4.64       78.5  4.72       75.4  4.27 C 1 2 1  helix_pd   
     5   8       86.0  4.55       82.8  4.21       78.6  4.74 C 1 2 1  helix_pd   
     5   9       87.5  4.60       86.9  4.28       84.9  4.58 C 1 2 1  helix_pd   
     5  10       87.7  4.67       75.0  4.45          -     - C 1 2 1  helix_pd   
     5  11       83.4  4.73       75.8  4.54          -     - C 1 2 1  helix_pd   
     5  12       84.6  5.19       81.8  4.15       77.1  4.21 C 1 2 1  helix_pd   
     5  13       85.0  4.41       83.8  4.22       82.4  4.33 C 1 2 1  helix_pd   
     5  14       85.5  4.48       82.4  4.49       80.0  4.70 C 1 2 1  helix_pd   
     5  15       84.1  4.57          -     -          -     - C 1 2 1  helix_pd   
     5  16       90.0  5.43       80.0  4.59       79.7  4.15 C 1 2 1  helix_pd   
     5  17       83.0  4.86       79.5  4.67       76.6  4.57 C 1 2 1  helix_pd   
     5  18       87.5  4.61       83.9  4.70       83.4  5.04 C 1 2 1  helix_pd   
     5  19       90.7  4.99       80.1  4.70       78.2  4.46 C 1 2 1  helix_pd   
     5  20       86.6  5.39       83.3  4.44       78.1  4.46 C 1 2 1  helix_pd   
     5  21       77.8  4.60          -     -          -     - C 1 2 1  helix_pd   
     5  22          -     -          -     -          -     - C 1 2 1  helix_pd   
     5  23       82.5  4.77       81.1  4.83       78.9  4.81 C 1 2 1  helix_pd   
     5  24       79.9  4.37       78.4  4.59       75.5  4.59 C 1 2 1  helix_pd   
     5  25          -     -          -     -          -     - C 1 2 1  helix_pd   
     5  26       78.0  4.60          -     -          -     - C 1 2 1  helix_pd   
     5  27       86.9  4.98          -     -          -     - C 1 2 1  helix_pd   
     5  28       76.4  4.65          -     -          -     - C 1 2 1  helix_pd   
     5  29       73.3  4.87          -     -          -     - C 1 2 1  helix_pd   
     5  30       81.1  4.79          -     -          -     - C 1 2 1  helix_pd   
     5  31       79.0  4.58       76.9  4.16       76.1  4.17 C 1 2 1  helix_pd   
     5  32       84.1  5.04       81.3  4.51       80.3  4.57 C 1 2 1  helix_pd   
     5  33       87.3  5.48       79.7  4.16       79.5  5.09 C 1 2 1  helix_pd   
     5  34       69.2  4.47          -     -          -     - C 1 2 1  helix_pd   
     5  35*      85.0  4.82       81.1  4.79       75.6  4.27 C 1 2 1  helix_pd   
     5  36*      86.0  4.93       82.6  4.70          -     - C 1 2 1  helix_pd   
     5  37*      80.1  4.56       76.9  4.43          -     - C 1 2 1  helix_pd   
     5  38*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  39*      82.2  4.93          -     -          -     - C 1 2 1  helix_pd   
     5  40*      83.9  5.16          -     -          -     - C 1 2 1  helix_pd   
     5  41*      83.8  4.95       82.7  5.26       76.7  4.68 C 1 2 1  helix_pd   
     5  42*      82.0  4.48       81.0  4.67       80.3  4.94 C 1 2 1  helix_pd   
     5  43*      84.8  5.05       74.9  4.78          -     - C 1 2 1  helix_pd   
     5  44*      82.3  5.03          -     -          -     - C 1 2 1  helix_pd   
     5  45*      88.8  5.41       79.9  4.72       79.1  4.90 C 1 2 1  helix_pd   
     5  46*      83.0  5.02          -     -          -     - C 1 2 1  helix_pd   
     5  47*      84.3  4.99       81.0  4.77       79.4  4.70 C 1 2 1  helix_pd   
     5  48*      80.7  4.48       80.0  4.81       76.3  4.85 C 1 2 1  helix_pd   
     5  49*      82.2  4.81       76.4  5.18       71.2  4.67 C 1 2 1  helix_pd   
     5  50*      84.2  4.90       84.0  5.28          -     - C 1 2 1  helix_pd   
     5  51*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  52*      77.2  4.83       77.2  4.66       73.7  4.85 C 1 2 1  helix_pd   
     5  53*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  54*      76.0  4.79       75.6  4.77          -     - C 1 2 1  helix_pd   
     5  55*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  56*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  57*      83.5  5.51       78.4  5.09          -     - C 1 2 1  helix_pd   
     5  58*      84.0  4.48       81.1  4.82       75.1  5.14 C 1 2 1  helix_pd   
     5  59*      80.0  5.11       78.7  4.87       76.9  4.75 C 1 2 1  helix_pd   
     5  60*      80.8  4.72          -     -          -     - C 1 2 1  helix_pd   
     5  61*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  62*      71.9  4.84          -     -          -     - C 1 2 1  helix_pd   
     5  63*      90.7  5.63          -     -          -     - C 1 2 1  helix_pd   
     5  64*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  65*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  66*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  67*      78.6  4.81          -     -          -     - C 1 2 1  helix_pd   
     5  68*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  69*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  70*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  71*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  72*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  73*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  74*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  75*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  76*      82.0  4.87          -     -          -     - C 1 2 1  helix_pd   
     5  77*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  78*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  79*      74.2  4.70       68.1  4.71          -     - C 1 2 1  helix_pd   
     5  80*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  81*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  82*      79.0  4.89          -     -          -     - C 1 2 1  helix_pd   
     5  83*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  84*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  85*      80.1  4.46       78.9  5.28       73.5  4.96 C 1 2 1  helix_pd   
     5  86*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  87*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  88*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  89*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  90*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  91*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  92*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  93*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  94*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  95*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  96*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5  97*      79.5  5.38       76.5  4.98       73.1  4.75 C 1 2 1  helix_pd   
     5  98*      81.6  5.18          -     -          -     - C 1 2 1  helix_pd   
     5  99*      80.7  5.31       79.9  4.91          -     - C 1 2 1  helix_pd   
     5 100*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 101*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 102*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 103*      83.8  5.39          -     -          -     - C 1 2 1  helix_pd   
     5 104*      76.0  4.87          -     -          -     - C 1 2 1  helix_pd   
     5 105*      71.2  4.70       65.2  4.71          -     - C 1 2 1  helix_pd   
     5 106*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 107*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 108*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 109*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 110*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 111*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 112*      82.1  5.11          -     -          -     - C 1 2 1  helix_pd   
     5 113*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 114*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 115*      81.2  4.79          -     -          -     - C 1 2 1  helix_pd   
     5 116*      78.9  5.06          -     -          -     - C 1 2 1  helix_pd   
     5 117*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 118*      84.0  5.74          -     -          -     - C 1 2 1  helix_pd   
     5 119*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 120*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 121*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 122*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 123*      71.6  4.83          -     -          -     - C 1 2 1  helix_pd   
     5 124*      72.4  4.90       70.5  4.70          -     - C 1 2 1  helix_pd   
     5 125*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 126*      72.2  5.49       69.6  5.29          -     - C 1 2 1  helix_pd   
     5 127*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 128*      80.2  5.32          -     -          -     - C 1 2 1  helix_pd   
     5 129*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 130*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 131*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 132*      72.0  4.71          -     -          -     - C 1 2 1  helix_pd   
     5 133*      71.8  5.39       71.4  4.98       65.6  5.16 C 1 2 1  helix_pd   
     5 134*      72.2  4.78          -     -          -     - C 1 2 1  helix_pd   
     5 135*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 136*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 137*      79.9  4.86          -     -          -     - C 1 2 1  helix_pd   
     5 138*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 139*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 140*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 141*      70.8  4.94       69.0  5.08       66.8  5.04 C 1 2 1  helix_pd   
     5 142*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 143*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 144*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 145*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 146*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 147*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 148*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 149*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 150*      71.0  4.67       69.6  4.31          -     - C 1 2 1  helix_pd   
     5 151*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 152*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 153*      76.0  5.24       71.3  4.90          -     - C 1 2 1  helix_pd   
     5 154*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 155*      81.5  5.43          -     -          -     - C 1 2 1  helix_pd   
     5 156*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 157*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 158*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 159*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 160*      65.1  4.95       64.4  4.78          -     - C 1 2 1  helix_pd   
     5 161*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 162*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 163*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 164*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 165*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 166*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 167*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 168*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 169*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 170*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 171*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 172*         -     -          -     -          -     - C 1 2 1  helix_pd   
     5 173*         -     -          -     -          -     - C 1 2 1  helix_pd   
   --- ---
     6   1       82.0  4.55       80.4  4.23       78.9  4.10 C 1 2 1  helix_pd   
     6   2       81.4  4.47       79.4  4.08       79.1  4.30 C 1 2 1  helix_pd   
     6   3       81.6  4.58       79.2  4.53       79.1  4.97 C 1 2 1  helix_pd   
     6   4       84.0  4.51       78.7  4.24       76.5  4.84 C 1 2 1  helix_pd   
     6   5       81.5  4.29       80.4  4.42       79.3  4.63 C 1 2 1  helix_pd   
     6   6       86.4  4.49       82.2  4.81       81.7  4.13 C 1 2 1  helix_pd   
     6   7       82.3  4.39       71.2  4.53       71.2  4.51 C 1 2 1  helix_pd   
     6   8       77.2  4.44       76.4  5.28       76.3  4.50 C 1 2 1  helix_pd   
     6   9       83.4  4.91       82.5  4.49       81.6  4.93 C 1 2 1  helix_pd   
     6  10       80.0  4.17       79.8  4.34       78.1  4.75 C 1 2 1  helix_pd   
     6  11       90.3  5.28       83.1  5.16          -     - C 1 2 1  helix_pd   
     6  12       84.9  4.92       80.4  4.32       78.5  4.32 C 1 2 1  helix_pd   
     6  13       79.3  4.71       76.1  4.77          -     - C 1 2 1  helix_pd   
     6  14       84.9  5.73       81.9  4.90       81.3  5.02 C 1 2 1  helix_pd   
     6  15       81.3  5.00       79.7  4.58       78.4  4.28 C 1 2 1  helix_pd   
     6  16       74.5  4.57       74.4  5.06       73.0  4.74 C 1 2 1  helix_pd   
     6  17       83.6  4.71       76.2  5.20       75.9  4.75 C 1 2 1  helix_pd   
     6  18       75.7  4.34       75.2  4.40       75.1  4.42 C 1 2 1  helix_pd   
     6  19       88.8  4.94       76.6  4.65          -     - C 1 2 1  helix_pd   
     6  20       80.1  5.03          -     -          -     - C 1 2 1  helix_pd   
     6  21       84.3  4.61       83.6  5.27       80.7  4.87 C 1 2 1  helix_pd   
     6  22       80.6  4.87       79.0  4.80          -     - C 1 2 1  helix_pd   
     6  23*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  24*      80.3  4.89          -     -          -     - C 1 2 1  helix_pd   
     6  25*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  26*      78.6  5.40       76.1  5.20       75.3  4.90 C 1 2 1  helix_pd   
     6  27*      82.3  5.32       80.3  4.85          -     - C 1 2 1  helix_pd   
     6  28*      80.2  4.99       78.3  4.55          -     - C 1 2 1  helix_pd   
     6  29*      75.1  4.92          -     -          -     - C 1 2 1  helix_pd   
     6  30*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  31*      80.6  5.25          -     -          -     - C 1 2 1  helix_pd   
     6  32*      76.6  4.94       75.8  4.78          -     - C 1 2 1  helix_pd   
     6  33*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  34*      80.8  4.62          -     -          -     - C 1 2 1  helix_pd   
     6  35*      79.6  4.91          -     -          -     - C 1 2 1  helix_pd   
     6  36*      78.1  5.29       76.4  4.66       75.0  5.17 C 1 2 1  helix_pd   
     6  37*      81.5  4.35       80.6  5.50       79.5  4.73 C 1 2 1  helix_pd   
     6  38*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  39*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  40*      79.9  4.80       79.8  5.06       79.8  4.69 C 1 2 1  helix_pd   
     6  41*      80.6  5.31       79.6  5.05       79.2  5.24 C 1 2 1  helix_pd   
     6  42*      80.8  4.93       78.2  5.14       72.7  4.68 C 1 2 1  helix_pd   
     6  43*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  44*      85.3  5.36       80.2  4.84          -     - C 1 2 1  helix_pd   
     6  45*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  46*      77.2  4.46       75.3  4.42       74.8  4.46 C 1 2 1  helix_pd   
     6  47*      88.6  5.33       78.7  4.66       76.7  4.96 C 1 2 1  helix_pd   
     6  48*      82.4  5.47          -     -          -     - C 1 2 1  helix_pd   
     6  49*      78.4  4.47       77.5  5.52       76.0  4.71 C 1 2 1  helix_pd   
     6  50*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  51*      81.1  4.76       74.5  4.90       74.3  4.66 C 1 2 1  helix_pd   
     6  52*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  53*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  54*      78.2  4.90       74.2  4.53       70.4  4.56 C 1 2 1  helix_pd   
     6  55*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  56*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  57*      82.4  5.38          -     -          -     - C 1 2 1  helix_pd   
     6  58*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  59*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  60*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  61*      77.9  4.76       74.8  5.03       72.1  4.70 C 1 2 1  helix_pd   
     6  62*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  63*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  64*      80.4  4.90       75.0  4.74       74.5  4.52 C 1 2 1  helix_pd   
     6  65*      67.9  4.99          -     -          -     - C 1 2 1  helix_pd   
     6  66*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  67*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  68*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  69*      81.1  4.66       73.6  4.73       73.5  4.73 C 1 2 1  helix_pd   
     6  70*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  71*      76.7  5.01       76.6  4.92       74.5  5.71 C 1 2 1  helix_pd   
     6  72*      73.0  5.08       70.9  5.20          -     - C 1 2 1  helix_pd   
     6  73*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  74*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  75*      68.6  4.91          -     -          -     - C 1 2 1  helix_pd   
     6  76*      77.5  5.33          -     -          -     - C 1 2 1  helix_pd   
     6  77*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  78*      78.0  5.20          -     -          -     - C 1 2 1  helix_pd   
     6  79*      77.1  4.98          -     -          -     - C 1 2 1  helix_pd   
     6  80*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  81*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  82*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  83*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  84*      74.3  4.93       72.5  4.95          -     - C 1 2 1  helix_pd   
     6  85*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  86*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  87*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  88*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  89*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  90*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  91*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  92*      72.5  5.56          -     -          -     - C 1 2 1  helix_pd   
     6  93*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  94*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  95*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  96*      74.0  5.46       69.1  5.04          -     - C 1 2 1  helix_pd   
     6  97*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  98*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6  99*      85.4  5.13          -     -          -     - C 1 2 1  helix_pd   
     6 100*      80.6  5.10       75.1  5.53       71.6  4.91 C 1 2 1  helix_pd   
     6 101*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 102*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 103*      73.8  5.12       72.8  4.93       72.4  4.91 C 1 2 1  helix_pd   
     6 104*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 105*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 106*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 107*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 108*      70.3  4.77          -     -          -     - C 1 2 1  helix_pd   
     6 109*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 110*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 111*      74.4  4.85          -     -          -     - C 1 2 1  helix_pd   
     6 112*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 113*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 114*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 115*      71.0  5.42       69.6  5.27       69.5  4.94 C 1 2 1  helix_pd   
     6 116*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 117*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 118*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 119*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 120*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 121*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 122*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 123*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 124*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 125*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 126*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 127*      73.1  4.93       71.2  5.04       69.0  4.64 C 1 2 1  helix_pd   
     6 128*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 129*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 130*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 131*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 132*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 133*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 134*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 135*      78.6  4.94       77.9  5.81       73.3  5.41 C 1 2 1  helix_pd   
     6 136*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 137*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 138*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 139*      69.2  5.71       68.3  4.34       66.7  4.35 C 1 2 1  helix_pd   
     6 140*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 141*      78.6  4.87       77.4  4.90          -     - C 1 2 1  helix_pd   
     6 142*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 143*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 144*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 145*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 146*         -     -          -     -          -     - C 1 2 1  helix_pd   
     6 147*         -     -          -     -          -     - C 1 2 1  helix_pd   
   --- ---
     7   1       85.3  5.26       84.9  4.32       84.2  4.78 C 1 2 1  helix_pd   
     7   2       85.4  4.90       82.5  4.13       82.5  4.36 C 1 2 1  helix_pd   
     7   3       86.1  4.05       84.7  4.93       84.3  4.48 C 1 2 1  helix_pd   
     7   4       85.6  3.99       82.6  4.27       82.3  4.02 C 1 2 1  helix_pd   
     7   5       82.3  4.58       75.3  4.52       74.3  4.44 C 1 2 1  helix_pd   
     7   6       90.8  4.19       82.9  4.23       82.8  4.42 C 1 2 1  helix_pd   
     7   7       81.7  5.00       81.1  4.80       81.0  4.32 C 1 2 1  helix_pd   
     7   8       85.0  4.44       83.2  5.06       79.7  4.72 C 1 2 1  helix_pd   
     7   9       80.9  4.13       80.9  5.19       77.9  4.16 C 1 2 1  helix_pd   
     7  10       82.8  4.73       82.4  5.33       77.1  5.00 C 1 2 1  helix_pd   
     7  11       82.0  4.24       81.5  4.85       81.1  4.32 C 1 2 1  helix_pd   
     7  12       88.5  4.46       88.0  4.27       84.5  4.42 C 1 2 1  helix_pd   
     7  13       87.4  5.74       86.9  4.76       82.5  4.27 C 1 2 1  helix_pd   
     7  14       86.5  5.94       85.4  4.72       79.4  4.38 C 1 2 1  helix_pd   
     7  15       86.4  4.73       83.6  4.93       81.3  4.65 C 1 2 1  helix_pd   
     7  16       82.8  4.72       82.2  5.14       80.9  5.17 C 1 2 1  helix_pd   
     7  17       87.3  4.89          -     -          -     - C 1 2 1  helix_pd   
     7  18       82.0  4.79       79.6  5.37       79.2  4.67 C 1 2 1  helix_pd   
     7  19       80.9  4.43       75.9  4.48       75.7  4.38 C 1 2 1  helix_pd   
     7  20       80.0  5.08       79.5  5.25       78.3  4.66 C 1 2 1  helix_pd   
     7  21       86.3  5.39       82.4  5.15       78.8  4.56 C 1 2 1  helix_pd   
     7  22       83.3  4.88          -     -          -     - C 1 2 1  helix_pd   
     7  23          -     -          -     -          -     - C 1 2 1  helix_pd   
     7  24       82.2  4.71       77.8  4.40       76.5  4.83 C 1 2 1  helix_pd   
     7  25       87.2  4.83       83.6  5.07       81.4  5.46 C 1 2 1  helix_pd   
     7  26       82.9  4.51       78.9  4.52          -     - C 1 2 1  helix_pd   
     7  27       79.6  4.97       76.6  4.79          -     - C 1 2 1  helix_pd   
     7  28       74.3  4.86       74.1  5.04          -     - C 1 2 1  helix_pd   
     7  29       79.3  4.75       76.2  4.81          -     - C 1 2 1  helix_pd   
     7  30       83.2  4.69       72.8  4.94       72.6  4.41 C 1 2 1  helix_pd   
     7  31       82.0  4.78          -     -          -     - C 1 2 1  helix_pd   
     7  32*      77.3  4.82          -     -          -     - C 1 2 1  helix_pd   
     7  33*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  34*      79.3  4.76          -     -          -     - C 1 2 1  helix_pd   
     7  35*      83.7  4.59       83.5  4.82       83.1  4.58 C 1 2 1  helix_pd   
     7  36*      85.6  5.70       81.0  4.58       80.8  4.87 C 1 2 1  helix_pd   
     7  37*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  38*      85.7  5.17          -     -          -     - C 1 2 1  helix_pd   
     7  39*      71.3  4.84          -     -          -     - C 1 2 1  helix_pd   
     7  40*      79.5  4.60          -     -          -     - C 1 2 1  helix_pd   
     7  41*      83.9  5.09       76.8  4.85       76.2  4.37 C 1 2 1  helix_pd   
     7  42*      75.0  4.93          -     -          -     - C 1 2 1  helix_pd   
     7  43*      87.4  4.60       77.0  5.08          -     - C 1 2 1  helix_pd   
     7  44*      80.3  5.34          -     -          -     - C 1 2 1  helix_pd   
     7  45*      80.8  4.81          -     -          -     - C 1 2 1  helix_pd   
     7  46*      80.9  5.02       78.3  4.92       75.6  5.07 C 1 2 1  helix_pd   
     7  47*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  48*      82.8  5.09          -     -          -     - C 1 2 1  helix_pd   
     7  49*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  50*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  51*      80.3  4.68       75.3  4.48       75.2  4.55 C 1 2 1  helix_pd   
     7  52*      76.2  4.86       76.0  5.02       73.2  4.80 C 1 2 1  helix_pd   
     7  53*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  54*      85.4  4.86       78.0  4.44       75.9  4.76 C 1 2 1  helix_pd   
     7  55*      82.1  4.77       81.0  4.72       79.2  5.14 C 1 2 1  helix_pd   
     7  56*      80.2  4.93          -     -          -     - C 1 2 1  helix_pd   
     7  57*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  58*      77.8  5.42       75.5  4.87       68.1  5.12 C 1 2 1  helix_pd   
     7  59*      68.2  4.92          -     -          -     - C 1 2 1  helix_pd   
     7  60*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  61*      78.6  4.73       77.3  5.17       72.6  4.64 C 1 2 1  helix_pd   
     7  62*      77.7  4.57       73.6  4.57       73.5  4.55 C 1 2 1  helix_pd   
     7  63*      80.8  5.54       80.1  4.67       73.7  4.70 C 1 2 1  helix_pd   
     7  64*      81.7  6.00       75.4  5.31       74.9  5.89 C 1 2 1  helix_pd   
     7  65*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  66*      81.6  5.11       79.1  5.03       74.5  5.08 C 1 2 1  helix_pd   
     7  67*      85.8  5.46          -     -          -     - C 1 2 1  helix_pd   
     7  68*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  69*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  70*      80.3  4.96       72.0  4.62       71.2  4.58 C 1 2 1  helix_pd   
     7  71*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  72*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  73*      77.5  4.72       77.4  5.12          -     - C 1 2 1  helix_pd   
     7  74*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  75*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  76*      85.3  5.02          -     -          -     - C 1 2 1  helix_pd   
     7  77*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  78*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  79*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  80*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  81*      76.9  5.10       73.9  4.93       71.0  4.84 C 1 2 1  helix_pd   
     7  82*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  83*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  84*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  85*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  86*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  87*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  88*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  89*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  90*      77.0  5.09       73.1  4.95       70.8  5.29 C 1 2 1  helix_pd   
     7  91*      77.9  5.41       76.9  5.57       73.2  4.73 C 1 2 1  helix_pd   
     7  92*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  93*      77.1  5.97       76.8  5.33       73.9  4.69 C 1 2 1  helix_pd   
     7  94*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  95*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  96*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  97*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  98*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7  99*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 100*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 101*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 102*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 103*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 104*      80.9  5.90          -     -          -     - C 1 2 1  helix_pd   
     7 105*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 106*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 107*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 108*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 109*      81.1  5.66       71.2  5.02       70.7  4.89 C 1 2 1  helix_pd   
     7 110*      74.1  5.05          -     -          -     - C 1 2 1  helix_pd   
     7 111*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 112*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 113*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 114*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 115*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 116*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 117*      72.4  4.77       70.0  4.88       68.5  4.75 C 1 2 1  helix_pd   
     7 118*      69.3  5.06       68.6  4.84          -     - C 1 2 1  helix_pd   
     7 119*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 120*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 121*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 122*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 123*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 124*      68.5  5.17          -     -          -     - C 1 2 1  helix_pd   
     7 125*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 126*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 127*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 128*      80.9  5.31       72.5  4.84       70.6  4.78 C 1 2 1  helix_pd   
     7 129*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 130*      65.9  4.66       65.9  4.61       65.2  4.97 C 1 2 1  helix_pd   
     7 131*      73.6  5.28       73.3  4.93          -     - C 1 2 1  helix_pd   
     7 132*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 133*      80.1  6.11       75.4  5.36       74.5  5.36 C 1 2 1  helix_pd   
     7 134*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 135*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 136*      71.5  4.96       66.2  4.75          -     - C 1 2 1  helix_pd   
     7 137*      77.6  5.00       77.0  4.93          -     - C 1 2 1  helix_pd   
     7 138*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 139*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 140*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 141*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 142*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 143*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 144*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 145*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 146*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 147*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 148*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 149*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 150*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 151*         -     -          -     -          -     - C 1 2 1  helix_pd   
     7 152*      69.0  4.30       68.3  4.52       64.5  4.73 C 1 2 1  helix_pd   
     7 153*         -     -          -     -          -     - C 1 2 1  helix_pd   
   --- ---
     8   1       87.1  5.02       85.0  4.49       83.6  4.40 C 1 2 1  helix_pd   
     8   2       82.5  4.21       79.5  4.23       79.1  4.06 C 1 2 1  helix_pd   
     8   3       80.8  4.25       79.5  4.41       77.9  4.54 C 1 2 1  helix_pd   
     8   4       81.1  4.84       75.2  4.37          -     - C 1 2 1  helix_pd   
     8   5       85.8  5.15       77.8  5.12       75.4  4.39 C 1 2 1  helix_pd   
     8   6       85.6  4.82       81.5  4.81       78.1  4.64 C 1 2 1  helix_pd   
     8   7*      80.9  4.49       78.9  4.95       77.5  4.58 C 1 2 1  helix_pd   
     8   8*      83.9  5.13          -     -          -     - C 1 2 1  helix_pd   
     8   9*      83.0  4.55       80.6  4.33       80.4  4.23 C 1 2 1  helix_pd   
     8  10*      79.9  5.06       79.6  4.88       75.9  4.26 C 1 2 1  helix_pd   
     8  11*      83.2  4.79       78.2  4.56       77.7  4.32 C 1 2 1  helix_pd   
     8  12*      81.2  4.53       77.3  4.63       76.5  4.27 C 1 2 1  helix_pd   
     8  13*      86.1  5.55       80.1  4.99          -     - C 1 2 1  helix_pd   
     8  14*      72.7  4.64       71.8  4.52       70.7  4.49 C 1 2 1  helix_pd   
     8  15*      80.7  4.63       76.6  5.09          -     - C 1 2 1  helix_pd   
     8  16*      82.8  4.75       76.3  4.80       74.3  4.68 C 1 2 1  helix_pd   
     8  17*      71.1  4.45          -     -          -     - C 1 2 1  helix_pd   
     8  18*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  19*      80.4  4.84          -     -          -     - C 1 2 1  helix_pd   
     8  20*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  21*      82.3  5.33       78.4  4.77          -     - C 1 2 1  helix_pd   
     8  22*      86.0  4.69       79.7  4.89          -     - C 1 2 1  helix_pd   
     8  23*      80.7  4.65       76.2  4.73          -     - C 1 2 1  helix_pd   
     8  24*      80.2  4.65       77.7  4.67          -     - C 1 2 1  helix_pd   
     8  25*      78.0  4.51          -     -          -     - C 1 2 1  helix_pd   
     8  26*      81.0  4.81          -     -          -     - C 1 2 1  helix_pd   
     8  27*      84.2  5.42       84.0  4.68       79.1  4.91 C 1 2 1  helix_pd   
     8  28*      80.6  4.55       79.1  4.25       78.8  4.49 C 1 2 1  helix_pd   
     8  29*      79.5  4.49       75.3  4.68          -     - C 1 2 1  helix_pd   
     8  30*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  31*      80.2  4.90       76.0  4.41       76.0  5.03 C 1 2 1  helix_pd   
     8  32*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  33*      88.2  5.06          -     -          -     - C 1 2 1  helix_pd   
     8  34*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  35*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  36*      80.1  4.68       74.1  4.55       72.1  4.73 C 1 2 1  helix_pd   
     8  37*      82.0  5.69       71.4  4.63          -     - C 1 2 1  helix_pd   
     8  38*      81.4  5.32       80.6  5.13       73.9  4.68 C 1 2 1  helix_pd   
     8  39*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  40*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  41*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  42*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  43*      78.1  5.13       77.2  4.80       70.4  4.77 C 1 2 1  helix_pd   
     8  44*      79.0  4.92       77.9  4.72          -     - C 1 2 1  helix_pd   
     8  45*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  46*      76.3  4.81       73.9  4.85       68.0  4.85 C 1 2 1  helix_pd   
     8  47*      72.3  4.89       72.3  5.24       65.3  4.64 C 1 2 1  helix_pd   
     8  48*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  49*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  50*      86.6  5.44          -     -          -     - C 1 2 1  helix_pd   
     8  51*      69.6  4.51          -     -          -     - C 1 2 1  helix_pd   
     8  52*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  53*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  54*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  55*      79.7  5.32          -     -          -     - C 1 2 1  helix_pd   
     8  56*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  57*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  58*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  59*      75.3  5.04          -     -          -     - C 1 2 1  helix_pd   
     8  60*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  61*      85.1  5.49       76.6  4.86          -     - C 1 2 1  helix_pd   
     8  62*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  63*      80.7  5.29       78.5  5.31       75.8  4.82 C 1 2 1  helix_pd   
     8  64*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  65*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  66*      77.5  5.06       76.7  5.47       74.5  5.14 C 1 2 1  helix_pd   
     8  67*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  68*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  69*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  70*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  71*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  72*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  73*      72.3  4.81          -     -          -     - C 1 2 1  helix_pd   
     8  74*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  75*      84.7  4.83          -     -          -     - C 1 2 1  helix_pd   
     8  76*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  77*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  78*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  79*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  80*      77.8  5.93       75.6  5.13       70.5  5.26 C 1 2 1  helix_pd   
     8  81*      81.8  5.46          -     -          -     - C 1 2 1  helix_pd   
     8  82*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  83*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  84*         -     -          -     -          -     - C 1 2 1  helix_pd   
     8  85*         -     -          -     -          -     - C 1 2 1  helix_pd   
   --- ---

---------------
FINAL SELECTION
---------------

   LLG will be used for purge, not FSS
   Top TF  = 107.94
   Top TFZ = 6.99
   Mean TF = 35.46
   Percent used for purge = 75%
   Cutoff for acceptance = 89.8
      TFZ used for final selection = 8
         Number of solutions over TF final cutoff  = 90
         Number of solutions over TFZ final cutoff = 0
         Number of solutions over TF & TFZ cutoff  = 0
   Number of solutions stored before final selection = 3389
   Number of solutions stored (deleted) after final selection = 90 (3299)


$TABLE : Translation Function Component #2 (helix_pdb):
$GRAPHS 
:TF Number vs LL-gain:AUTO:1,2: :TF Number vs Z-Score:AUTO:1,3: 
$$
Number LLG Z-Score
$$ loggraph $$
1     107.94  6.99
2     104.26  6.61
3     104.06  6.00
4     101.97  5.42
5     101.28  6.16
6      99.70  5.29
7      99.67  5.70
8      98.81  5.58
9      98.57  6.74
10      98.48  5.22
11      97.91  4.96
12      97.73  4.60
13      97.44  4.57
14      96.92  5.73
15      96.83  5.16
16      96.61  5.24
17      96.33  5.83
18      95.57  6.18
19      95.07  5.11
20      94.50  4.59
21      94.34  5.28
22      94.15  4.53
23      93.63  5.58
24      93.55  5.64
25      93.53  5.13
26      93.51  5.06
27      93.45  4.51
28      93.31  4.70
29      93.01  5.30
30      92.88  4.46
31      92.79  5.81
32      92.70  5.29
33      92.57  5.06
34      92.24  5.41
35      92.22  5.56
36      92.04  4.65
37      91.91  4.86
38      91.89  5.51
39      91.87  5.22
40      91.85  5.26
41      91.79  4.83
42      91.75  4.53
43      91.67  5.72
44      91.64  4.90
45      91.62  5.48
46      91.60  5.25
47      91.51  4.76
48      91.50  5.16
49      91.49  5.11
50      91.45  5.92
51      91.35  4.34
52      91.28  5.33
53      91.27  5.11
54      91.25  4.38
55      91.18  5.98
56      91.06  5.74
57      91.05  5.66
58      91.03  4.06
59      90.93  5.58
60      90.91  4.79
61      90.88  4.46
62      90.84  4.19
63      90.75  5.11
64      90.73  5.98
65      90.71  4.99
66      90.68  4.84
67      90.68  4.43
68      90.67  5.63
69      90.66  4.82
70      90.57  5.15
71      90.53  4.65
72      90.53  5.43
73      90.46  3.83
74      90.37  4.79
75      90.35  4.91
76      90.35  5.28
77      90.30  4.85
78      90.14  5.46
79      90.07  4.46
80      90.05  5.43
81      90.05  5.31
82      90.02  4.98
83      89.96  5.08
84      89.96  4.84
85      89.86  4.75
86      89.85  4.84
87      89.84  5.11
88      89.84  4.22
89      89.84  5.33
90      89.83  5.84
$$

------------
OUTPUT FILES
------------

   No files output

CPU Time: 0 days 0 hrs 6 mins 25.52 secs (    385.52 secs)
Finished: Thu Sep 30 04:36:10 2021

******************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT PACKING ANALYSIS                        2.8.3 ***
******************************************************************************************


---------
ENSEMBLES
---------

   Trace Generation
   ----------------
   Ensemble        Trace-type  Length      Sampling Close-contact
   helix_pdb       all-atom       130          1.50          1.00

-----------------
ENSEMBLE SYMMETRY
-----------------

   Ensemble "helix_pdb" Point Group: 1

   Clash background has been packed at 10.00%

----------------
PACKING FUNCTION
----------------

   There are 90 solutions to pack
   Spreading calculation onto 23 threads.
   Packing analysis
   0%   100%
   |=====| DONE


   Packing Table
   -------------
   Solutions accepted if pairwise clashes less than 10 % of trace atoms
   #in  #out Clash-% Symm TF-SET  ROT TFpk#        TF    TFZ    SpaceGroup 
   1    Top1  0      --       2    64    1        107.94  6.99  C 1 2 1    
   2    2     0      --       1    75    1        104.26  6.61  C 1 2 1    
   3    3     0      --       2    33    1        104.06  6.00  C 1 2 1    
   4    4     0.769  --       1    50    1        101.97  5.42  C 1 2 1    
   5    5     3.077  --       1    37    1        101.28  6.16  C 1 2 1    
   6    6     0      --       2     1    1         99.70  5.29  C 1 2 1    
   7    7     0      --       2    32    1         99.67  5.70  C 1 2 1    
   8    8     0.769  --       2    59    1         98.81  5.58  C 1 2 1    
   9    9     0      --       1   194    1         98.57  6.74  C 1 2 1    
   10   10    1.538  --       1    41    1         98.48  5.22  C 1 2 1    
   11   11    0.769  --       1     6    1         97.91  4.96  C 1 2 1    
   12   12    0      --       1     7    1         97.73  4.60  C 1 2 1    
   13   13    0      --       1    23    1         97.44  4.57  C 1 2 1    
   14   14    0      --       2    73    1         96.92  5.73  C 1 2 1    
   15   15    0      --       1     9    1         96.83  5.16  C 1 2 1    
   16   16    0      --       2    10    1         96.61  5.24  C 1 2 1    
   17   17    0      --       1    57    1         96.33  5.83  C 1 2 1    
   18   18    0      --       2   126    1         95.57  6.18  C 1 2 1    
   19   19    0      --       2    19    1         95.07  5.11  C 1 2 1    
   20   20    0      --       1    18    1         94.50  4.59  C 1 2 1    
   21   21    0      --       1    20    1         94.34  5.28  C 1 2 1    
   22   22    0      --       1    11    1         94.15  4.53  C 1 2 1    
   23   23    0      --       1    83    1         93.63  5.58  C 1 2 1    
   24   24    0      --       4     4    1         93.55  5.64  C 1 2 1    
   25   25    0.769  --       1    35    1         93.53  5.13  C 1 2 1    
   26   26    0      --       2    51    1         93.51  5.06  C 1 2 1    
   27   27    0      --       1     2    1         93.45  4.51  C 1 2 1    
   28   28    0      --       1    15    1         93.31  4.70  C 1 2 1    
   29   29    0      --       2    45    1         93.01  5.30  C 1 2 1    
   30   30    0      --       1    26    1         92.88  4.46  C 1 2 1    
   31   31    0      --       4    91    1         92.79  5.81  C 1 2 1    
   32   32    0      --       2    88    1         92.70  5.29  C 1 2 1    
   33   33    0      --       1    71    1         92.57  5.06  C 1 2 1    
   34   34    0      --       2   127    1         92.24  5.41  C 1 2 1    
   35   35    0      --       2   107    1         92.22  5.56  C 1 2 1    
   36   36    0      --       2     6    1         92.04  4.65  C 1 2 1    
   37   37    0      --       1    19    1         91.91  4.86  C 1 2 1    
   38   38    0      --       1   104    1         91.89  5.51  C 1 2 1    
   39   39    0      --       4    24    1         91.87  5.22  C 1 2 1    
   40   40    0      --       1    11    2         91.85  5.26  C 1 2 1    
   41   41    0      --       1    49    1         91.79  4.83  C 1 2 1    
   42   42    0      --       1    22    1         91.75  4.53  C 1 2 1    
   43   43    0      --       4    61    1         91.67  5.72  C 1 2 1    
   44   44    0.769  --       2    47    1         91.64  4.90  C 1 2 1    
   45   45    0      --       2    53    1         91.62  5.48  C 1 2 1    
   46   46    0      --       2    69    1         91.60  5.25  C 1 2 1    
   47   47    0      --       1    51    1         91.51  4.76  C 1 2 1    
   48   48    1.538  --       1     8    1         91.50  5.16  C 1 2 1    
   49   ---  >10.77  --       1     9    2         91.49  5.11  C 1 2 1    
   50   49    0      --       1   124    1         91.45  5.92  C 1 2 1    
   51   50    0      --       1    11    3         91.35  4.34  C 1 2 1    
   52   51    0      --       1     8    2         91.28  5.33  C 1 2 1    
   53   52    0      --       4    40    1         91.27  5.11  C 1 2 1    
   54   53    0      --       2     8    1         91.25  4.38  C 1 2 1    
   55   ---  >10.77  --       1   207    1         91.18  5.98  C 1 2 1    
   56   54    0      --       1   206    1         91.06  5.74  C 1 2 1    
   57   55    0      --       2   178    1         91.05  5.66  C 1 2 1    
   58   56    0      --       1    12    1         91.03  4.06  C 1 2 1    
   59   57    0      --       2   176    1         90.93  5.58  C 1 2 1    
   60   ---  >10.77  --       4     8    1         90.91  4.79  C 1 2 1    
   61   58    0.769  --       1     8    3         90.88  4.46  C 1 2 1    
   62   ---  >10.77  --       7     6    1         90.84  4.19  C 1 2 1    
   63   59    0      --       2    33    2         90.75  5.11  C 1 2 1    
   64   60    0      --       2   147    1         90.73  5.98  C 1 2 1    
   65   ---  >10.77  --       5    19    1         90.71  4.99  C 1 2 1    
   66   61    0.769  --       1    16    1         90.68  4.84  C 1 2 1    
   67   62    0      --       2    11    1         90.68  4.43  C 1 2 1    
   68   ---  >10.77  --       5    63    1         90.67  5.63  C 1 2 1    
   69   63    0      --       2    61    1         90.66  4.82  C 1 2 1    
   70   64    0      --       1    43    1         90.57  5.15  C 1 2 1    
   71   65    0      --       1    22    2         90.53  4.65  C 1 2 1    
   72   66    0      --       2   104    1         90.53  5.43  C 1 2 1    
   73   67    0      --       1     3    1         90.46  3.83  C 1 2 1    
   74   68    0      --       1    31    1         90.37  4.79  C 1 2 1    
   75   69    0      --       1   123    1         90.35  4.91  C 1 2 1    
   76   ---  >10.77  --       6    11    1         90.35  5.28  C 1 2 1    
   77   ---  >10.77  --       4    10    1         90.30  4.85  C 1 2 1    
   78   70    0.769  --       1   159    1         90.14  5.46  C 1 2 1    
   79   71    0      --       1    52    1         90.07  4.46  C 1 2 1    
   80   ---  >10.77  --       5    16    1         90.05  5.43  C 1 2 1    
   81   72    0      --       1   130    1         90.05  5.31  C 1 2 1    
   82   73    0.769  --       1   246    1         90.02  4.98  C 1 2 1    
   83   74    0      --       1    42    1         89.96  5.08  C 1 2 1    
   84   ---  >10.77  --       1     4    1         89.96  4.84  C 1 2 1    
   85   75    0      --       1    26    2         89.86  4.75  C 1 2 1    
   86   76    3.077  --       1    75    2         89.85  4.84  C 1 2 1    
   87   ---  >10.77  --       3    20    1         89.84  5.11  C 1 2 1    
   88   77    0      --       1     3    2         89.84  4.22  C 1 2 1    
   89   78    0      --       1   140    1         89.84  5.33  C 1 2 1    
   90   79    0      --       1   252    1         89.83  5.84  C 1 2 1    

   79 accepted of 90 solutions
      79 pack of 79 accepted solutions

------------
OUTPUT FILES
------------

   No files output

CPU Time: 0 days 0 hrs 6 mins 30.78 secs (    390.78 secs)
Finished: Thu Sep 30 04:36:11 2021

******************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                               2.8.3 ***
******************************************************************************************

** Search: Only parameters of last component will be refined

CPU Time: 0 days 0 hrs 6 mins 30.78 secs (    390.78 secs)
Finished: Thu Sep 30 04:36:11 2021

******************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT REFINEMENT AND PHASING                  2.8.3 ***
******************************************************************************************


-----------------
TRANSLATIONAL NCS
-----------------

   tNCS not present

-------------------------------
DATA FOR REFINEMENT AND PHASING
-------------------------------

   Outlier Rejection
   -----------------
   No reflections are outliers


   Resolution of All Data (Number):        2.92  48.49 (2447)
   Resolution of Selected Data (Number):   2.92  48.49 (2447)


-------------------
WILSON DISTRIBUTION
-------------------

   Parameters set for Wilson log-likelihood calculation
   E = 0 and variance 1 for each reflection
   Without correction for SigF to the variances,
      Wilson log(likelihood) = - number of acentrics (2035)
                               - half number of centrics (412/2)
                             = -2241
   With correction for SigF,
      Wilson log(likelihood) = -2234.31

----------
ENSEMBLING
----------

   Ensemble Generation
   -------------------
   Resolution of Ensembles: 2.91671
   Scat% Radius Model# Rel-B    RMS   DRMS   VRMS Ensemble                           
    14.1    9.2      1  21.1  0.500  0.000  0.500 helix_pdb                          

   Trace Generation
   ----------------
   Ensemble        Trace-type  Length      Sampling Close-contact
   helix_pdb       all-atom       130          1.50          1.00

----------
REFINEMENT
----------

   Protocol cycle #1 of 1
   Refinement protocol for this macrocycle:
   ROTATION:         REFINE
   TRANSLATION:      REFINE
   BFACTOR:          REFINE
   MODEL VRMS:       FIX
   CELL SCALE:       FIX
   OCCUPANCY FACTOR: FIX
   LAST ONLY:        TRUE
   ROTATION RESTRAINT:    OFF
   TRANSLATION RESTRAINT: OFF

   There are 79 solutions to refine
   Spreading calculation onto 23 threads.
   Refining solutions
   0%   100%
   |====Segmentation fault (core dumped)
Temporary folder contents:
/tmp/tmpo423Ga:
	PHASER.log
Cleaning up temporary folder...done


Back to test
Full traceback:
Traceback (most recent call last):
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_runner.py", line 1048, in run_multiple_tests
    resfilesuffix = params.suffix
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_runner.py", line 181, in run_test_and_compare
    resfilesuffix = resfilesuffix,
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_runner.py", line 116, in execute_test
    resfilesuffix = resfilesuffix,
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_run_engine.py", line 176, in script
    raise RuntimeError("Error exit from process, errorcode %s" % process.returncode)
RuntimeError: Error exit from process, errorcode 139


Back to test
ERROR: Error exit from process, errorcode 139
Test 31: tstl_auto_polyala_helix - python
Jump to output, comparison, summary or Overview of tests
Output:


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Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

auto_pak_rnp_function
vrms_refinement
symmetry_information
solutions

auto_pak_rnp_function

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_SCORES
    

  
LLGScore(value = 39.80)
  
LLGScore(value = 38.99)
  
LLGScore(value = 38.95)
  
LLGScore(value = 38.59)
  
LLGScore(value = 38.51)
  
LLGScore(value = 36.98)
  
LLGScore(value = 36.81)
  
LLGScore(value = 36.68)
  
LLGScore(value = 36.30)

    

  
LLGScore(value = 40.48)
  
LLGScore(value = 40.46)
  
LLGScore(value = 39.56)
  
LLGScore(value = 39.36)
  
LLGScore(value = 39.18)
  
LLGScore(value = 38.87)
  
LLGScore(value = 37.93)
  
LLGScore(value = 36.98)
  
LLGScore(value = 36.81)

    
element 1: 38.9900904102 outside tolerance (1.0) of 40.4615280909
  

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vrms_refinement

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
VRMS_ENSEMBLE
    

  

  
Text(value = helix_ala)

  

  
Text(value = helix_ala)

  

  
Text(value = helix_ala)

  

  
Text(value = helix_ala)

  

  
Text(value = helix_ala)

  

  
Text(value = helix_ala)

  

  
Text(value = helix_ala)

  

  
Text(value = helix_ala)

  

  
Text(value = helix_ala)


    

  

  
Text(value = helix_ala)

  

  
Text(value = helix_ala)

  

  
Text(value = helix_ala)

  

  
Text(value = helix_ala)

  

  
Text(value = helix_ala)

  

  
Text(value = helix_ala)

  

  
Text(value = helix_ala)

  

  
Text(value = helix_ala)

  

  
Text(value = helix_ala)


    
OK
  
  

    
VRMS_RMS
    

  

  

  
VRMS(value = 0.146)


  

  

  
VRMS(value = 0.146)


  

  

  
VRMS(value = 0.146)


  

  

  
VRMS(value = 0.146)


  

  

  
VRMS(value = 0.146)


  

  

  
VRMS(value = 0.146)


  

  

  
VRMS(value = 0.146)


  

  

  
VRMS(value = 0.146)


  

  

  
VRMS(value = 0.146)



    

  

  

  
VRMS(value = 0.146)


  

  

  
VRMS(value = 0.146)


  

  

  
VRMS(value = 0.146)


  

  

  
VRMS(value = 0.146)


  

  

  
VRMS(value = 0.146)


  

  

  
VRMS(value = 0.146)


  

  

  
VRMS(value = 0.146)


  

  

  
VRMS(value = 0.146)


  

  

  
VRMS(value = 0.146)



    
OK
  

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symmetry_information

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
UNIT_CELL
    

  
CellAxis(value = 92.344)
  
CellAxis(value = 23.827)
  
CellAxis(value = 63.525)
  
CellAngle(value = 90.00)
  
CellAngle(value = 130.24)
  
CellAngle(value = 90.00)

    

  
CellAxis(value = 92.344)
  
CellAxis(value = 23.827)
  
CellAxis(value = 63.525)
  
CellAngle(value = 90.00)
  
CellAngle(value = 130.24)
  
CellAngle(value = 90.00)

    
OK
  

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solutions

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_ANNOTATIONS
    

  
Text(value =  RFZ=4.1 TFZ=3.7 PAK=0 LLG=31 TFZ==4.5 LLG=40 TFZ==4.4 PAK=0 LLG=40 TFZ==4.4)
  
Text(value =  RFZ=4.3 TFZ=4.0 PAK=0 LLG=29 LLG=39 PAK=0 LLG=39)
  
Text(value =  RFZ=4.2 TFZ=3.4 PAK=0 LLG=29 LLG=39 PAK=0 LLG=39)
  
Text(value =  RFZ=4.1 TFZ=3.4 PAK=0 LLG=29 LLG=39 PAK=0 LLG=39)
  
Text(value =  RFZ=3.8 TFZ=3.9 PAK=0 LLG=28 LLG=39 PAK=0 LLG=39)
  
Text(value =  RFZ=4.1 TFZ=3.5 PAK=0 LLG=27 LLG=37 PAK=0 LLG=37)
  
Text(value =  RFZ=3.8 TFZ=4.6 PAK=0 LLG=27 LLG=37 PAK=0 LLG=37)
  
Text(value =  RFZ=4.3 TFZ=3.0 PAK=0 LLG=28 LLG=37 PAK=0 LLG=37)
  
Text(value =  RFZ=4.3 TFZ=3.0 PAK=0 LLG=30 LLG=36 PAK=0 LLG=36)

    

  
Text(value =  RFZ=4.3 TFZ=3.0 PAK=0 LLG=30 LLG=36 PAK=0 LLG=40 TFZ==4.9)
  
Text(value =  RFZ=4.1 TFZ=3.7 PAK=0 LLG=31 TFZ==4.5 LLG=40 TFZ==4.4 PAK=0 LLG=40)
  
Text(value =  RFZ=3.8 TFZ=3.9 PAK=0 LLG=28 LLG=39 PAK=0 LLG=40)
  
Text(value =  RFZ=4.2 TFZ=3.4 PAK=0 LLG=29 LLG=39 PAK=0 LLG=39)
  
Text(value =  RFZ=4.3 TFZ=4.0 PAK=0 LLG=29 LLG=39 PAK=0 LLG=39)
  
Text(value =  RFZ=4.1 TFZ=3.4 PAK=0 LLG=29 LLG=39 PAK=0 LLG=39)
  
Text(value =  RFZ=4.3 TFZ=3.0 PAK=0 LLG=28 LLG=37 PAK=0 LLG=38)
  
Text(value =  RFZ=4.1 TFZ=3.5 PAK=0 LLG=27 LLG=37 PAK=0 LLG=37)
  
Text(value =  RFZ=3.8 TFZ=4.6 PAK=0 LLG=27 LLG=37 PAK=0 LLG=37)

    
element 0: 
 RFZ=4.1 TFZ=3.7 PAK=0 LLG=31 TFZ==4.5 LLG=40 TFZ==4.4 PAK=0 LLG=40 TFZ==4.4
different from
 RFZ=4.3 TFZ=3.0 PAK=0 LLG=30 LLG=36 PAK=0 LLG=40 TFZ==4.9
  
  

    
SOLUTION_COUNT
    
Integer(value = 9)
    
Integer(value = 9)
    
OK
  
  

    
BFACTOR
    

  

  
Bfactor(value = -11.613)

  

  
Bfactor(value = -13.044)

  

  
Bfactor(value = -12.932)

  

  
Bfactor(value = -12.621)

  

  
Bfactor(value = -12.506)

  

  
Bfactor(value = -11.666)

  

  
Bfactor(value = -11.575)

  

  
Bfactor(value = -11.250)

  

  
Bfactor(value = -7.311)


    

  

  
Bfactor(value = -14.112)

  

  
Bfactor(value = -13.181)

  

  
Bfactor(value = -14.052)

  

  
Bfactor(value = -13.345)

  

  
Bfactor(value = -13.234)

  

  
Bfactor(value = -13.055)

  

  
Bfactor(value = -12.340)

  

  
Bfactor(value = -12.000)

  

  
Bfactor(value = -11.575)


    
element 8: element 0: -7.31059231416 outside tolerance (3.0) of -11.5754428336
  
  

    
SOLUTIONS
    

  
Solution(
  Molecule(
    ensemble = helix_ala,
    rotation = ( 30.13, 11.26, 121.46 ),
    translation = ( 0.14159, -0.00121, -0.21319 )
    )

)
  
Solution(
  Molecule(
    ensemble = helix_ala,
    rotation = ( 331.26, 13.27, 89.87 ),
    translation = ( 0.14138, 0.00426, -0.17723 )
    )

)
  
Solution(
  Molecule(
    ensemble = helix_ala,
    rotation = ( 334.25, 11.43, 89.88 ),
    translation = ( -0.06090, 0.00740, 0.27093 )
    )

)
  
Solution(
  Molecule(
    ensemble = helix_ala,
    rotation = ( 333.81, 11.51, 80.28 ),
    translation = ( -0.09271, -0.00645, 0.21055 )
    )

)
  
Solution(
  Molecule(
    ensemble = helix_ala,
    rotation = ( 324.90, 11.78, 22.69 ),
    translation = ( -0.04347, 0.01267, -0.20011 )
    )

)
  
Solution(
  Molecule(
    ensemble = helix_ala,
    rotation = ( 29.78, 11.61, 118.73 ),
    translation = ( 0.04179, -0.00220, -0.15758 )
    )

)
  
Solution(
  Molecule(
    ensemble = helix_ala,
    rotation = ( 332.93, 10.70, 279.70 ),
    translation = ( -0.06075, -0.00274, 0.26906 )
    )

)
  
Solution(
  Molecule(
    ensemble = helix_ala,
    rotation = ( 329.98, 11.67, 82.40 ),
    translation = ( 0.20683, 0.00036, 0.20086 )
    )

)
  
Solution(
  Molecule(
    ensemble = helix_ala,
    rotation = ( 335.45, 12.13, 111.30 ),
    translation = ( -0.02974, -0.00711, -0.16941 )
    )

)

    

  
Solution(
  Molecule(
    ensemble = helix_ala,
    rotation = ( 331.37, 11.51, 114.88 ),
    translation = ( -0.02808, -0.00324, -0.16974 )
    )

)
  
Solution(
  Molecule(
    ensemble = helix_ala,
    rotation = ( 30.85, 11.10, 119.16 ),
    translation = ( 0.14196, -0.00159, -0.21447 )
    )

)
  
Solution(
  Molecule(
    ensemble = helix_ala,
    rotation = ( 323.98, 12.24, 23.39 ),
    translation = ( -0.04407, 0.01604, -0.20002 )
    )

)
  
Solution(
  Molecule(
    ensemble = helix_ala,
    rotation = ( 334.92, 11.48, 89.07 ),
    translation = ( -0.06099, 0.00661, 0.27122 )
    )

)
  
Solution(
  Molecule(
    ensemble = helix_ala,
    rotation = ( 331.64, 13.23, 90.47 ),
    translation = ( 0.14159, 0.00347, -0.17703 )
    )

)
  
Solution(
  Molecule(
    ensemble = helix_ala,
    rotation = ( 332.98, 11.54, 81.20 ),
    translation = ( -0.09264, -0.00516, 0.21005 )
    )

)
  
Solution(
  Molecule(
    ensemble = helix_ala,
    rotation = ( 329.42, 11.62, 81.47 ),
    translation = ( 0.20647, 0.00099, 0.20035 )
    )

)
  
Solution(
  Molecule(
    ensemble = helix_ala,
    rotation = ( 29.62, 11.66, 119.11 ),
    translation = ( 0.04157, -0.00216, -0.15777 )
    )

)
  
Solution(
  Molecule(
    ensemble = helix_ala,
    rotation = ( 332.94, 10.70, 279.69 ),
    translation = ( -0.06077, -0.00273, 0.26904 )
    )

)

    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 8, failures: 3, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
ERROR: incorrect results
Test 32: tstl_auto_polyala_helix - script
ERROR
Jump to output, traceback or message
Output:
Temporary folder: /tmp/tmpkqZl03
# Running test using phaser executable #
Selecting phaser executable...
Selected: "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/build/bin/phenix.phaser"
Input:
MODE MR_AUTO
JOBS 23
HKLIN "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/data/regression/A31P_3A.mtz"
LABIN F=FP SIGF=SIGFP
COMPOSITION PROTEIN MW 12212 NUM 1
ENSEMBLE helix_pdb PDBFILE "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/data/regression/helix.pdb" RMS 0.5

ENSEMBLE helix_ala HELIX 14 RMS 1.0

SEARCH ENSEMBLE helix_ala NUM 1
ROOT /tmp/tmpkqZl03/PHASER
Executing input...




##########################################################################################
##########################################################################################
##########################################################################################
### CCP4 PROGRAM SUITE: Phaser                                                   2.8.3 ###
##########################################################################################
User:         phaserbuilder
Run time:     Thu Sep 30 04:36:31 2021
Version:      2.8.3
Release Date: Thu Sep 30 04:12:05 2021 (git 7539, 219b54030... )

If you use this software please cite:
$TEXT:Reference1: $$ $$
"Phaser Crystallographic Software"
A.J. McCoy, R.W. Grosse-Kunstleve, P.D. Adams, M.D. Winn, L.C. Storoni & R.J. Read
J. Appl. Cryst. (2007). 40, 658-674
PDF

$$




******************************************************************************************
*** Phaser Module: PREPROCESSOR                                                  2.8.3 ***
******************************************************************************************

$TEXT:Script: $$ Baubles Markup $$
MODE MR_AUTO
JOBS 23
HKLIN &
"/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/data/regression/A31P_3A.mtz"
LABIN F=FP SIGF=SIGFP
COMPOSITION PROTEIN MW 12212 NUM 1
ENSEMBLE helix_pdb PDBFILE &
"/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/data/regression/helix.pdb" RMS &
0.5
ENSEMBLE helix_ala HELIX 14 RMS 1.0
SEARCH ENSEMBLE helix_ala NUM 1
ROOT /tmp/tmpkqZl03/PHASER

$$
CPU Time: 0 days 0 hrs 0 mins 0.00 secs (      0.00 secs)
Finished: Thu Sep 30 04:36:31 2021

******************************************************************************************
*** Phaser Module: READ DATA FROM MTZ FILE                                       2.8.3 ***
******************************************************************************************

   Read from Mtz File
   ------------------
   Data read from mtz file:
   /mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/data/regression/A31P_3A.mtz
   Space-Group Name (Hall Symbol): C 1 2 1 ( C 2y)
   Space-Group Number: 5
   Unit Cell:   92.34   23.83   63.53   90.00  130.24   90.00
   Column Labels Selected: FP SIGFP
   Resolution on Mtz file:  2.92 48.49
   Resolution Selected:     2.92 48.49
   Number of Reflections in Selected Resolution Range: 2447

CPU Time: 0 days 0 hrs 0 mins 0.02 secs (      0.02 secs)
Finished: Thu Sep 30 04:36:31 2021

******************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                               2.8.3 ***
******************************************************************************************

** Steps:
**    Cell Content Analysis
**    Anisotropy correction
**    Translational NCS correction
**    Rotation Function
**    Translation Function
**    Packing
**    Refinement
**    Final Refinement (if data higher resolution than search resolution)
** Number of search ensembles = 1
** Search Method: FAST
** Input Search Order:
**    #1   helix_ala  
** Automatic (best predicted) search order WILL be used

CPU Time: 0 days 0 hrs 0 mins 0.02 secs (      0.02 secs)
Finished: Thu Sep 30 04:36:31 2021

******************************************************************************************
*** Phaser Module: CELL CONTENT ANALYSIS                                         2.8.3 ***
******************************************************************************************

   Space-Group Name (Hall Symbol): C 1 2 1 ( C 2y)
   Space-Group Number: 5
   Unit Cell:   92.34   23.83   63.52   90.00  130.24   90.00


--------------------
SPACE GROUP ANALYSIS
--------------------

   Input Space Group: C 1 2 1

   (a) Space groups derived by translation (screw) symmetry
   --------------------------------------------------------
   Z   Space Group    Hall Symbol
   ----
   4   C 1 2 1        C 2y
   ----

   (b) Subgroups of space group for perfect twinning expansions
   ------------------------------------------------------------
   R: Reindexing operation required (*)
   Only subgroups related by rotational symmetry are reported
   Z   Space Group   R Hall Symbol
   ----
   2   C 1           * P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)
   ---
   4   C 1 2 1         C 2y
   ----


   Composition is of type: PROTEIN
   MW to which Matthews applies: 12212
   Resolution for Matthews calculation:  2.92

   Z       MW         VM    % solvent  rel. freq.
   1       12212      2.18  43.69      1.000       <== most probable

   Z is the number of multiples of the total composition
   In most cases the most probable Z value should be 1
   If it is not 1, you may need to consider other compositions


   Histogram of relative frequencies of VM values
   ----------------------------------------------
   Frequency of most common VM value normalized to 1
   VM values plotted in increments of 1/VM (0.02)

        <--- relative frequency --->
        0.0  0.1  0.2  0.3  0.4  0.5  0.6  0.7  0.8  0.9  1.0  
        |    |    |    |    |    |    |    |    |    |    |    
   10.00 -
    8.33 -
    7.14 -
    6.25 -
    5.56 -
    5.00 -
    4.55 -
    4.17 --
    3.85 ----
    3.57 ------
    3.33 ---------
    3.12 --------------
    2.94 --------------------
    2.78 ---------------------------
    2.63 -----------------------------------
    2.50 ------------------------------------------
    2.38 ------------------------------------------------
    2.27 --------------------------------------------------
    2.17 ************************************************ (COMPOSITION*1)
    2.08 -----------------------------------------
    2.00 ------------------------------
    1.92 -------------------
    1.85 ----------
    1.79 -----
    1.72 --
    1.67 -
    1.61 -
    1.56 -
    1.52 -
    1.47 -
    1.43 -
    1.39 -
    1.35 -
    1.32 -
    1.28 -
    1.25 -

$TABLE : Cell Content Analysis:
$SCATTER 
:N*Composition vs Probability:0|2x0|1:1,2: 
$$
N*Composition Probability
$$ loggraph $$
1 0.950481
$$


   Most probable VM for resolution = 2.27165
   Most probable MW of protein in asu for resolution = 11741.8

CPU Time: 0 days 0 hrs 0 mins 0.05 secs (      0.05 secs)
Finished: Thu Sep 30 04:36:31 2021

******************************************************************************************
*** Phaser Module: ANISOTROPY CORRECTION                                         2.8.3 ***
******************************************************************************************


------------------------------
DATA FOR ANISOTROPY CORRECTION
------------------------------

   Resolution of All Data (Number):        2.92  48.49 (2447)
   Resolution of Selected Data (Number):   2.92  48.49 (2447)

   Outlier Rejection
   -----------------
   No reflections are outliers

---------------------
ANISOTROPY CORRECTION
---------------------

   Protocol cycle #1 of 3
   Refinement protocol for this macrocycle:
   BIN SCALES: REFINE
   ANISOTROPY: REFINE
   SOLVENT K:  FIX
   SOLVENT B:  FIX

   Protocol cycle #2 of 3
   Refinement protocol for this macrocycle:
   BIN SCALES: REFINE
   ANISOTROPY: REFINE
   SOLVENT K:  FIX
   SOLVENT B:  FIX

   Protocol cycle #3 of 3
   Refinement protocol for this macrocycle:
   BIN SCALES: REFINE
   ANISOTROPY: REFINE
   SOLVENT K:  FIX
   SOLVENT B:  FIX

   Outlier Rejection
   -----------------
   No reflections are outliers

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 4 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
      -27082.176            -27056.084                26.092

   Principal components of anisotropic part of B affecting observed amplitudes:
     eigenB (A^2)     direction cosines (orthogonal coordinates)
         7.693              0.0000   1.0000   0.0000
        -0.538              0.0621   0.0000   0.9981
        -7.155              0.9981   0.0000  -0.0621
   Anisotropic deltaB (i.e. range of principal components):  14.848

   Outlier Rejection
   -----------------
   No reflections are outliers

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 1 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
      -27056.084            -27056.084                 0.000

   Principal components of anisotropic part of B affecting observed amplitudes:
     eigenB (A^2)     direction cosines (orthogonal coordinates)
         7.693              0.0000   1.0000   0.0000
        -0.538              0.0621   0.0000   0.9981
        -7.155              0.9981   0.0000  -0.0621
   Anisotropic deltaB (i.e. range of principal components):  14.848

   Outlier Rejection
   -----------------
   No reflections are outliers

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 1 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
      -27056.084            -27056.084                 0.000

   Principal components of anisotropic part of B affecting observed amplitudes:
     eigenB (A^2)     direction cosines (orthogonal coordinates)
         7.693              0.0000   1.0000   0.0000
        -0.538              0.0621   0.0000   0.9981
        -7.155              0.9981   0.0000  -0.0621
   Anisotropic deltaB (i.e. range of principal components):  14.848

   Outlier Rejection
   -----------------
   No reflections are outliers


   Refined Anisotropy Parameters
   -----------------------------
   Principal components of anisotropic part of B affecting observed amplitudes:
     eigenB (A^2)     direction cosines (orthogonal coordinates)
         7.693              0.0000   1.0000   0.0000
        -0.538              0.0621   0.0000   0.9981
        -7.155              0.9981   0.0000  -0.0621
   Anisotropic deltaB (i.e. range of principal components):  14.848


--------------
ABSOLUTE SCALE
--------------

   Scale factor to put input Fs on absolute scale
   Wilson Scale:    1.86854
   Wilson B-factor: 34.8175

--------------------------------
DATA AFTER ANISOTROPY CORRECTION
--------------------------------


   Resolution of All Data (Number):        2.92  48.49 (2447)
   Resolution of Selected Data (Number):   2.92  48.49 (2447)


   Outlier Rejection
   -----------------
   No reflections are outliers


------------
OUTPUT FILES
------------

   No files output

CPU Time: 0 days 0 hrs 0 mins 0.11 secs (      0.11 secs)
Finished: Thu Sep 30 04:36:31 2021

******************************************************************************************
*** Phaser Module: TRANSLATIONAL NON-CRYSTALLOGRAPHIC SYMMETRY                   2.8.3 ***
******************************************************************************************


   Unit Cell:   92.34   23.83   63.53   90.00  130.24   90.00

---------------------
MAXIMUM NMOL ANALYSIS
---------------------

   Stoichiometry of search components:
      "helix_ala"

   Molecular weight of components:  995.106
   Volume of asymmetric unit:       26673.3
   Packing to solvent content:      20%
   Maximum automatic NMOL number:   17

-------------------------------------
DATA FOR TRANSLATIONAL NCS CORRECTION
-------------------------------------


   Resolution of All Data (Number):        2.92  48.49 (2447)
   Resolution of Selected Data (Number):   2.92  48.49 (2447)


   Outlier Rejection
   -----------------
   No reflections are outliers

   Weighted Intensity Moments for Data
   -----------------------------------
   Inverse variance-weighted 2nd Moment = /^2 == /^2
                        Untwinned   Perfect Twin
   2nd Moment  Centric:    3.0          2.0
   2nd Moment Acentric:    2.0          1.5
                               Measured
   2nd Moment  Centric:             4.01
   2nd Moment Acentric:             2.55

   Resolution for Twin Analysis (85% I/SIGI > 3):  3.57A (HiRes= 2.92A)

$TABLE : Intensity distribution for Data:
$GRAPHS 
:Cumulative intensity distribution (acentric and centric):N:1,2,3,4,5,6: 
$$
Z ACent_theor ACent_twin ACent_obser Cent_theor Cent_obser
$$ loggraph $$
0 0 0 0 0 0 
0.04 0.0392106 0.0030343 0.0549954 0.158519 0.176471 
0.08 0.0768837 0.0115132 0.0934922 0.222703 0.261029 
0.12 0.11308 0.0245815 0.137489 0.270966 0.3125 
0.16 0.147856 0.0414833 0.170486 0.310843 0.356618 
0.2 0.181269 0.0615519 0.212649 0.345279 0.386029 
0.24 0.213372 0.0842006 0.246563 0.375794 0.415441 
0.28 0.244216 0.108914 0.285976 0.403299 0.444853 
0.32 0.273851 0.13524 0.313474 0.428392 0.459559 
0.36 0.302324 0.162786 0.332722 0.451494 0.474265 
0.4 0.32968 0.191208 0.362053 0.472911 0.496324 
0.44 0.355964 0.220208 0.391384 0.492878 0.514706 
0.48 0.381217 0.24953 0.417049 0.511578 0.555147 
0.52 0.405479 0.278952 0.459212 0.529158 0.558824 
0.56 0.428791 0.308287 0.477544 0.54574 0.573529 
0.6 0.451188 0.337373 0.498625 0.561422 0.588235 
0.64 0.472708 0.366075 0.519707 0.576289 0.602941 
0.68 0.493383 0.394281 0.542621 0.590413 0.628676 
0.72 0.513248 0.421896 0.55912 0.603856 0.636029 
0.76 0.532334 0.448846 0.577452 0.616672 0.643382 
0.8 0.550671 0.475069 0.595784 0.628907 0.654412 
0.84 0.56829 0.500518 0.615949 0.640603 0.665441 
0.88 0.585217 0.525156 0.627864 0.651798 0.665441 
0.92 0.601481 0.548959 0.641613 0.662525 0.672794 
0.96 0.617107 0.571908 0.652612 0.672813 0.683824 
1 0.632121 0.593994 0.667278 0.682689 0.709559 
1.04 0.646545 0.615215 0.681027 0.692179 0.716912 
1.08 0.660404 0.635573 0.692026 0.701302 0.720588 
1.12 0.67372 0.655074 0.710357 0.710082 0.727941 
1.16 0.686514 0.673732 0.72319 0.718534 0.735294 
1.2 0.698806 0.691559 0.731439 0.726678 0.742647 
1.24 0.710616 0.708574 0.740605 0.734529 0.75 
1.28 0.721963 0.724795 0.749771 0.742101 0.757353 
1.32 0.732865 0.740245 0.758937 0.749408 0.779412 
1.36 0.743339 0.754946 0.765353 0.756463 0.783088 
1.4 0.753403 0.768922 0.769936 0.763276 0.794118 
1.44 0.763072 0.782197 0.780935 0.769861 0.797794 
1.48 0.772362 0.794797 0.786434 0.776226 0.801471 
1.52 0.781288 0.806747 0.791934 0.782381 0.801471 
1.56 0.789864 0.818072 0.800183 0.788335 0.805147 
1.6 0.798103 0.828799 0.80385 0.794097 0.808824 
1.64 0.80602 0.838951 0.811182 0.799674 0.816176 
1.68 0.813626 0.848554 0.820348 0.805076 0.819853 
1.72 0.820934 0.857633 0.828598 0.810307 0.823529 
1.76 0.827955 0.866211 0.833181 0.815376 0.827206 
1.8 0.834701 0.874311 0.836847 0.820287 0.830882 
1.84 0.841183 0.881957 0.842346 0.825049 0.830882 
1.88 0.84741 0.889169 0.845096 0.829666 0.834559 
1.92 0.853393 0.895971 0.852429 0.834143 0.838235 
1.96 0.859142 0.902382 0.863428 0.838487 0.841912 
2 0.864665 0.908422 0.864345 0.842701 0.849265 
$$
$TABLE : Weighted second moments for Data:
$GRAPHS 
:Weighted second moments vs resolution (acentric only):AUTO:1,2,3,4: 
$$
1/d^2 ACent_theor ACent_twin ACent_obser
$$ loggraph $$
0.0102 2.00298 1.50298 3.78341 
0.0297 2.00054 1.50054 2.16391 
0.0492 2.00101 1.50101 2.49935 
0.0687 2.00348 1.50348 2.43479 
0.0883 2.00675 1.50675 2.10771 
0.1078 2.03104 1.53104 2.05434 
$$
---------------------
ANISOTROPY CORRECTION
---------------------

   Weighted Intensity Moments after Anisotropy Correction
   ------------------------------------------------------
   Inverse variance-weighted 2nd Moment = /^2 == /^2
                        Untwinned   Perfect Twin
   2nd Moment  Centric:    3.0          2.0
   2nd Moment Acentric:    2.0          1.5
                               Measured
   2nd Moment  Centric:             3.52
   2nd Moment Acentric:             2.54

   Resolution for Twin Analysis (85% I/SIGI > 3):  3.57A (HiRes= 2.92A)

$TABLE : Intensity distribution after Anisotropy Correction:
$GRAPHS 
:Cumulative intensity distribution (acentric and centric):N:1,2,3,4,5,6: 
$$
Z ACent_theor ACent_twin ACent_obser Cent_theor Cent_obser
$$ loggraph $$
0 0 0 0 0 0 
0.04 0.0392106 0.0030343 0.0531622 0.158519 0.180147 
0.08 0.0768837 0.0115132 0.0953254 0.222703 0.275735 
0.12 0.11308 0.0245815 0.133822 0.270966 0.323529 
0.16 0.147856 0.0414833 0.173236 0.310843 0.363971 
0.2 0.181269 0.0615519 0.208983 0.345279 0.389706 
0.24 0.213372 0.0842006 0.242896 0.375794 0.433824 
0.28 0.244216 0.108914 0.278643 0.403299 0.452206 
0.32 0.273851 0.13524 0.312557 0.428392 0.477941 
0.36 0.302324 0.162786 0.335472 0.451494 0.496324 
0.4 0.32968 0.191208 0.358387 0.472911 0.514706 
0.44 0.355964 0.220208 0.39505 0.492878 0.558824 
0.48 0.381217 0.24953 0.425298 0.511578 0.569853 
0.52 0.405479 0.278952 0.456462 0.529158 0.580882 
0.56 0.428791 0.308287 0.479377 0.54574 0.602941 
0.6 0.451188 0.337373 0.501375 0.561422 0.606618 
0.64 0.472708 0.366075 0.522456 0.576289 0.621324 
0.68 0.493383 0.394281 0.541705 0.590413 0.636029 
0.72 0.513248 0.421896 0.560953 0.603856 0.647059 
0.76 0.532334 0.448846 0.579285 0.616672 0.654412 
0.8 0.550671 0.475069 0.598533 0.628907 0.665441 
0.84 0.56829 0.500518 0.612282 0.640603 0.672794 
0.88 0.585217 0.525156 0.622365 0.651798 0.680147 
0.92 0.601481 0.548959 0.63703 0.662525 0.691176 
0.96 0.617107 0.571908 0.652612 0.672813 0.709559 
1 0.632121 0.593994 0.662695 0.682689 0.716912 
1.04 0.646545 0.615215 0.679193 0.692179 0.738971 
1.08 0.660404 0.635573 0.690192 0.701302 0.75 
1.12 0.67372 0.655074 0.705775 0.710082 0.753676 
1.16 0.686514 0.673732 0.71494 0.718534 0.768382 
1.2 0.698806 0.691559 0.722273 0.726678 0.772059 
1.24 0.710616 0.708574 0.735105 0.734529 0.790441 
1.28 0.721963 0.724795 0.749771 0.742101 0.790441 
1.32 0.732865 0.740245 0.754354 0.749408 0.790441 
1.36 0.743339 0.754946 0.762603 0.756463 0.794118 
1.4 0.753403 0.768922 0.771769 0.763276 0.805147 
1.44 0.763072 0.782197 0.779102 0.769861 0.8125 
1.48 0.772362 0.794797 0.791934 0.776226 0.8125 
1.52 0.781288 0.806747 0.79835 0.782381 0.823529 
1.56 0.789864 0.818072 0.802933 0.788335 0.827206 
1.6 0.798103 0.828799 0.807516 0.794097 0.827206 
1.64 0.80602 0.838951 0.813016 0.799674 0.834559 
1.68 0.813626 0.848554 0.816682 0.805076 0.834559 
1.72 0.820934 0.857633 0.824931 0.810307 0.834559 
1.76 0.827955 0.866211 0.830431 0.815376 0.838235 
1.8 0.834701 0.874311 0.835014 0.820287 0.845588 
1.84 0.841183 0.881957 0.84143 0.825049 0.852941 
1.88 0.84741 0.889169 0.849679 0.829666 0.852941 
1.92 0.853393 0.895971 0.857929 0.834143 0.856618 
1.96 0.859142 0.902382 0.861595 0.838487 0.856618 
2 0.864665 0.908422 0.866178 0.842701 0.856618 
$$
$TABLE : Weighted second moments after Anisotropy Correction:
$GRAPHS 
:Weighted second moments vs resolution (acentric only):AUTO:1,2,3,4: 
$$
1/d^2 ACent_theor ACent_twin ACent_obser
$$ loggraph $$
0.0102 2.00309 1.50309 3.78978 
0.0297 2.00052 1.50052 2.09075 
0.0492 2.00106 1.50106 2.65001 
0.0687 2.00333 1.50333 2.32108 
0.0883 2.00663 1.50663 2.06242 
0.1078 2.0287 1.5287 1.96554 
$$
-----------------
TRANSLATIONAL NCS
-----------------

   tNCS vector not set
   Space Group (without translational symmetry):C 1 2 1
   Patterson Symmetry: C 1 2/m 1
   Resolution of All Data (Number):        2.92  48.49 (2447)
   Resolution of Patterson (Number):       5.00   9.98 (443)

   Raw Patterson Peaks Table
   -------------------------
   Sorted by Height
   Height Vector
   100.0%:   FRAC -0.0000 -0.0000 -0.0000   (ORTH   -0.0    0.0   -0.0)

   Patterson Top (All) = 19.77%
      There were 49 peaks

   Patterson Top (Non-origin) = 11.21%
      Patterson Origin Vector Distance = 15
      There were 39 non-origin peaks

   Patterson Top (Cutoff) = 0.00%
      Patterson cutoff = 20%
      There were 0 non-origin peaks over cutoff

   Patterson Top (Large Cell) = 0.00%
      Unit Cell dimension was not smaller than origin Patterson vector distance
      There were 0 non-origin and large cell peaks over cutoff

   Patterson Top (Analysis) = 0.00%
      Peaks within minimum Patterson vector distance of one another were deleted
      There were 0 widely separated non-origin peaks over cutoff

   There were no interesting non-origin Patterson peaks

   No tNCS found in Patterson


--------
TWINNING
--------

   tNCS/Twin Detection Table
   -------------------------
                                 -Second Moments-             --P-values--
                                 Centric Acentric       untwinned  twin frac < 5%
   Theoretical for untwinned      3.00    2.00    
     including measurement error  3.00    2.00    
   Theoretical for perfect twin   2.00    1.50    
   Initial (data as input)        4.01    2.55+/-0.135  1          1         
   After Anisotropy Correction    3.52    2.54+/-0.135  1          1         
   After Anisotropy and tNCS         ---n/a---

   P-value < 0.01 for < 5% twinned is considered worth investigating
   Resolution for Twin Analysis (85% I/SIGI > 3):  3.57A (HiRes= 2.92A)


---------------------------------------
DATA AFTER TRANSLATIONAL NCS CORRECTION
---------------------------------------


   Resolution of All Data (Number):        2.92  48.49 (2447)
   Resolution of Selected Data (Number):   2.92  48.49 (2447)


   Outlier Rejection
   -----------------
   No reflections are outliers

------------
OUTPUT FILES
------------

   No files output


CPU Time: 0 days 0 hrs 0 mins 0.14 secs (      0.14 secs)
Finished: Thu Sep 30 04:36:31 2021

******************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                               2.8.3 ***
******************************************************************************************

** Z-score test for definite solution is ON
** Z-score test for stopping search is OFF
** Deep search is ON

CPU Time: 0 days 0 hrs 0 mins 0.14 secs (      0.14 secs)
Finished: Thu Sep 30 04:36:31 2021

******************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                               2.8.3 ***
******************************************************************************************

   Composition Table
   -----------------
   Total Scattering = 39821
   Search occupancy factor = 1 (default)
   Ensemble                       Frac.Scat. (Search Frac.Scat.) 
   helix_ala                           7.77%               7.77%
   helix_pdb                          14.13%              14.13%

** Composition not increased



CPU Time: 0 days 0 hrs 0 mins 0.14 secs (      0.14 secs)
Finished: Thu Sep 30 04:36:31 2021

******************************************************************************************
*** Phaser Module: EXPERIMENTAL ERROR CORRECTION PREPARATION                     2.8.3 ***
******************************************************************************************


-----------------
TRANSLATIONAL NCS
-----------------

   tNCS not present

-----------------------------
EXPERIMENTAL ERROR CORRECTION
-----------------------------

   Calculate Luzzati D factors accounting for observational error...


   Data have been provided as French-Wilson amplitudes


------------
OUTPUT FILES
------------

   No files output


CPU Time: 0 days 0 hrs 0 mins 0.16 secs (      0.16 secs)
Finished: Thu Sep 30 04:36:31 2021

******************************************************************************************
*** Phaser Module: EXPECTED LLG OF ENSEMBLES                                     2.8.3 ***
******************************************************************************************


-----------------
TRANSLATIONAL NCS
-----------------

   tNCS not present


   Resolution of Data (Selected):    2.917 (2.91671)
   Number of Reflections (Selected): 2447 (2447)
   eLLG Target: 225


----------
ENSEMBLING
----------

   Ensemble: helix_ala
   -------------------
   Coordinates from string # 1 helix
      This file contains 1 model
      The input RmsD of model #1 with respect to the real structure is 1.000

   Ensemble: helix_pdb
   -------------------
   PDB file # 1: helix.pdb
      This file contains 1 model
      The input RmsD of model #1 with respect to the real structure is 0.500

   Guide to eLLG values
   ---------------------
   eLLG      Top solution correct?
   <25       -no 
   25-36     -unlikely
   36-49     -possibly
   49-64     -probably
   >64       -yes


-----------------
POLY-ALANINE ELLG
-----------------

   Resolution = 2.91671
   Default RMSD = 0.1 0.2 0.4 0.8 1.6 3.2
   Minimum solvent = 20%
      Maximum number of polyalanine residues = 140 (-full-)
   Alanine residues for eLLG target = 79

   Table of Alanine Residues for eLLG Target
   -----------------------------------------
                  ---RMSD--- 
   eLLG-target |  0.10  0.20  0.40  0.80  1.60  3.20 
           225 |    79    81    91   137 -full--full-
           196 |    74    76    85   128 -full--full-
           169 |    69    71    79   119 -full--full-
           144 |    63    65    73   110 -full--full-
           121 |    58    60    67   100 -full--full-
           100 |    53    54    61    91 -full--full-
            81 |    47    49    54    82 -full--full-
            64 |    42    43    48    73 -full--full-
            49 |    37    38    42    64 -full--full-
            36 |    31    32    36    55 -full--full-
            25 |    26    27    30    45   136 -full-
            16 |    21    21    24    36   108 -full-
             9 |    15    16    18    27    81 -full-
             4 |    10    10    12    18    54 -full-
             1 |     5     5     6     9    27 -full-

--------------
MONOMERIC ELLG
--------------

   Expected LLG (eLLG)
   -------------------
   eLLG: eLLG of ensemble alone
       eLLG   RMSD frac-scat  Ensemble
    1.31579  1.000   0.07770  helix_ala

   Resolution for eLLG target
   --------------------------
   eLLG-reso: Resolution to achieve target eLLG (225)
     eLLG-reso  Ensemble
   > 2.92(all)  helix_ala

   Resolution for eLLG target: data collection
   -------------------------------------------
   eLLG-reso: Resolution to achieve target eLLG (225) with perfect data
     eLLG-reso  Ensemble
        >1.2A   helix_ala


------------------------------------------------------------------------------------------
Advisory: 
eLLG indicates that placement of a single copy of ensemble "helix_ala" will be very
difficult
------------------------------------------------------------------------------------------


   Expected LLG (eLLG): Chains
   ---------------------------
   eLLG: eLLG of chain alone
       eLLG   RMSD frac-scat chain  Ensemble
    1.31579  1.000   0.07770  " A"  helix_ala

   Resolution for eLLG target: Chains
   ----------------------------------
   eLLG-reso: Resolution to achieve target eLLG (225)
     eLLG-reso chain  Ensemble
   > 2.92(all)  " A"  helix_ala

--------------------
HOMO-OLIGOMERIC ELLG
--------------------

   Number of copies for eLLG target
   --------------------------------
   eLLG-target   RMSD frac-scat-known frac-scat   num-copies  Ensemble
           225  1.000         0.85468   0.93238           12  helix_ala

CPU Time: 0 days 0 hrs 0 mins 0.19 secs (      0.19 secs)
Finished: Thu Sep 30 04:36:31 2021

******************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                               2.8.3 ***
******************************************************************************************

** Search Order (next search *) (placed +):
**    #1   helix_ala *

CPU Time: 0 days 0 hrs 0 mins 0.19 secs (      0.19 secs)
Finished: Thu Sep 30 04:36:31 2021

******************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT ROTATION FUNCTION                       2.8.3 ***
******************************************************************************************


-----------------
TRANSLATIONAL NCS
-----------------

   tNCS not present

--------------------------
DATA FOR ROTATION FUNCTION
--------------------------


   High resolution limit unaltered by RMS of ensemble
   High resolution limit unaltered by expected LLG


   Outlier Rejection
   -----------------
   No reflections are outliers

   Resolution of All Data (Number):        2.92  48.49 (2447)
   Resolution of Selected Data (Number):   2.92  48.49 (2447)

-------------------
WILSON DISTRIBUTION
-------------------

   Parameters set for Wilson log-likelihood calculation
   E = 0 and variance 1 for each reflection
   Without correction for SigF to the variances,
      Wilson log(likelihood) = - number of acentrics (2035)
                               - half number of centrics (412/2)
                             = -2241
   With correction for SigF,
      Wilson log(likelihood) = -2234.31

----------
ENSEMBLING
----------

   Ensemble Generation: helix_ala
   ------------------------------
   Ensemble configured for structure factor interpolation
   Ensemble configured to resolution  2.92

   Electron Density Calculation
   0%      100%
   |=======| DONE


------------------------------------------------------------------------------------------
Warning: All Bfactors of all models are zero
------------------------------------------------------------------------------------------


   Ensemble Generation
   -------------------
   Resolution of Ensembles: 2.91671
   Scat% Radius Model# Rel-B    RMS   DRMS   VRMS Ensemble                           
     7.8    6.1      1  35.4  1.000  0.000  1.000 helix_ala                          

-----------------
ROTATION FUNCTION
-----------------

   Ensemble configured to resolution  2.92
   Elmn for Search Ensemble
   Spreading calculation onto 23 threads.
   Elmn Calculation for Search Ensemble
   0%           100%
   |=============| DONE

   Target Function: FAST LERF1

-------------------------
ROTATION FUNCTION #1 OF 1
-------------------------

   Search Ensemble: helix_ala

   Sampling: 13.69 degrees


   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 23 threads.
   Elmn Calculation for Data
   0%                       100%
   |=========================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 23 threads.
   Clmn Calculation
   0% 100%
   |==| DONE

   Helix for model: cluster angle reduced
   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 52.5% of top
   There were 263 sites over 52.5% of top
   263 peaks selected
   The sites over 52.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      341.1    3.0  109.7    100.000  3.98
   2        8.4    3.0  109.7     96.141  3.83
   3      354.7    3.0  109.7     95.637  3.81
   #Sites = 263: output truncated to 3 sites

   Top 263 rotations before clustering will be rescored
   Spreading calculation onto 23 threads
   Calculating Likelihood for RF #1 of 1
   0%           100%
   |=============| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 23 threads
   Generating Statistics for RF #1 of 1
   0%                     100%
   |=======================| DONE

   Highest Score (Z-score):  13.795   ( 4.30)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 164 sites over 60% of top
   The sites over 60% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      333.5   13.1   89.6     13.795  4.30   0.0      1     92.314/    92.314
          206.5  166.9  269.6
   2       12.4   10.8  174.4     13.429  4.19 123.1      1     92.418/    92.418
          167.6  169.2  354.4
   3      341.9   13.2   95.0     13.279  4.15  13.7      1     94.280/    94.280
          198.1  166.8  275.0
   #SITES = 164: OUTPUT TRUNCATED TO 3 SITES

   Rotation Function Results
   Top1: ENSEMBLE helix_ala EULER 333.515 13.127 89.564 RF=13.8 RFZ=4.30


   Rotation Function Table: helix_ala
   ----------------------------------
   (Z-scores from Fast Rotation Function)
   #SET        Top    (Z)      Second    (Z)       Third    (Z)
   1         13.79   4.30       13.43   4.19       13.28   4.15


---------------
FINAL SELECTION
---------------


   Select by Percentage of Top value: 75%
   Top RF = 13.795
   Purge RF mean = -1.680
   Number of sets stored before final selection = 1
   Number of solutions stored before final selection = 164
   Number of sets stored (deleted) after final selection = 1 (0)
   Number of solutions stored (deleted) after final selection = 164 (0)
   Percent used for purge = 60.000%
      Includes deep search down percent = 15%
      Number of solutions stored above (below) deep threshold = 100 (64)

   Rotation Function Final Selection Table
   ---------------------------------------
   Rotation list length by SET
   SET#  Start Final Deleted Set (*)   Deep: Start Final Deleted Set (*)
      1  100   100         -                 164   164         -
   ALL   100   100                           164   164  


$TABLE : Rotation Function Component #1 (helix_ala) :
$GRAPHS 
:RF Number vs LL-gain:AUTO:1,2: :RF Number vs Z-Score:AUTO:1,3: 
$$
Number LLG Z-Score
$$ loggraph $$
1      13.79  4.30
2      13.43  4.19
3      13.28  4.15
4      13.12  4.11
5      13.06  4.09
6      12.76  4.01
7      12.67  3.98
8      12.58  3.96
9      12.52  3.94
10      12.52  3.94
11      12.38  3.90
12      12.35  3.90
13      12.31  3.88
14      12.24  3.87
15      12.24  3.87
16      12.23  3.86
17      12.21  3.85
18      12.19  3.85
19      12.15  3.84
20      12.13  3.83
21      12.01  3.80
22      12.00  3.80
23      11.94  3.78
24      11.93  3.78
25      11.91  3.77
26      11.85  3.76
27      11.82  3.75
28      11.81  3.75
29      11.77  3.73
30      11.75  3.73
31      11.71  3.72
32      11.70  3.71
33      11.65  3.70
34      11.61  3.69
35      11.52  3.66
36      11.51  3.66
37      11.50  3.66
38      11.43  3.64
39      11.43  3.64
40      11.36  3.62
41      11.35  3.62
42      11.35  3.62
43      11.26  3.59
44      11.22  3.58
45      11.17  3.57
46      11.14  3.56
47      11.11  3.55
48      11.11  3.55
49      11.10  3.55
50      11.01  3.52
51      11.00  3.52
52      10.97  3.51
53      10.95  3.50
54      10.93  3.50
55      10.93  3.50
56      10.92  3.50
57      10.91  3.50
58      10.89  3.49
59      10.89  3.49
60      10.89  3.49
61      10.88  3.49
62      10.82  3.47
63      10.81  3.47
64      10.80  3.46
65      10.78  3.46
66      10.76  3.45
67      10.74  3.45
68      10.74  3.45
69      10.73  3.44
70      10.71  3.44
71      10.68  3.43
72      10.63  3.42
73      10.61  3.41
74      10.60  3.41
75      10.57  3.40
76      10.55  3.39
77      10.53  3.39
78      10.52  3.39
79      10.52  3.39
80      10.51  3.38
81      10.47  3.37
82      10.45  3.37
83      10.44  3.36
84      10.43  3.36
85      10.38  3.35
86      10.37  3.34
87      10.31  3.33
88      10.25  3.31
89      10.23  3.31
90      10.22  3.30
91      10.21  3.30
92      10.19  3.30
93      10.18  3.29
94      10.14  3.28
95      10.14  3.28
96      10.06  3.26
97      10.04  3.25
98      10.03  3.25
99      10.01  3.25
100       9.93  3.22
101       9.92  3.22
102       9.88  3.21
103       9.87  3.21
104       9.87  3.21
105       9.81  3.19
106       9.80  3.19
107       9.78  3.18
108       9.73  3.17
109       9.72  3.16
110       9.68  3.15
111       9.56  3.12
112       9.50  3.10
113       9.48  3.10
114       9.45  3.09
115       9.41  3.08
116       9.30  3.05
117       9.24  3.03
118       9.23  3.03
119       9.23  3.03
120       9.21  3.02
121       9.21  3.02
122       9.14  3.00
123       9.12  3.00
124       9.08  2.99
125       9.06  2.98
126       9.00  2.97
127       8.93  2.94
128       8.90  2.94
129       8.89  2.93
130       8.83  2.92
131       8.81  2.91
132       8.80  2.91
133       8.79  2.91
134       8.76  2.90
135       8.74  2.89
136       8.60  2.85
137       8.58  2.85
138       8.53  2.83
139       8.42  2.80
140       8.42  2.80
141       8.41  2.80
142       8.39  2.80
143       8.39  2.79
144       8.36  2.79
145       8.30  2.77
146       8.29  2.77
147       8.20  2.74
148       8.16  2.73
149       8.13  2.72
150       8.13  2.72
151       8.09  2.71
152       8.09  2.71
153       7.96  2.68
154       7.96  2.67
155       7.93  2.67
156       7.92  2.67
157       7.91  2.66
158       7.85  2.65
159       7.85  2.65
160       7.80  2.63
161       7.80  2.63
162       7.72  2.61
163       7.70  2.60
164       7.63  2.59
$$

------------
OUTPUT FILES
------------

   No files output

CPU Time: 0 days 0 hrs 0 mins 6.22 secs (      6.22 secs)
Finished: Thu Sep 30 04:36:31 2021

******************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT TRANSLATION FUNCTION                    2.8.3 ***
******************************************************************************************


-----------------
TRANSLATIONAL NCS
-----------------

   tNCS not present

-----------------------------
DATA FOR TRANSLATION FUNCTION
-----------------------------

   Outlier Rejection
   -----------------
   No reflections are outliers


   Resolution of All Data (Number):        2.92  48.49 (2447)
   Resolution of Selected Data (Number):   2.92  48.49 (2447)


-------------------
WILSON DISTRIBUTION
-------------------

   Parameters set for Wilson log-likelihood calculation
   E = 0 and variance 1 for each reflection
   Without correction for SigF to the variances,
      Wilson log(likelihood) = - number of acentrics (2035)
                               - half number of centrics (412/2)
                             = -2241
   With correction for SigF,
      Wilson log(likelihood) = -2234.31


------------------------
ALTERNATIVE SPACE GROUPS
------------------------

   Space Group(s) to be tested:
     C 1 2 1


----------
ENSEMBLING
----------

   Ensemble Generation
   -------------------
   Resolution of Ensembles: 2.91671
   Scat% Radius Model# Rel-B    RMS   DRMS   VRMS Ensemble                           
     7.8    6.1      1  35.4  1.000  0.000  1.000 helix_ala                          

   Trace Generation: helix_ala
   ---------------------------
      This trace is from coordinates

   Trace Generation
   ----------------
   Ensemble        Trace-type  Length      Sampling Close-contact
   helix_ala       all-atom        70          1.50          1.00

---------------------
TRANSLATION FUNCTIONS
---------------------

   Target Function: FAST LETF1
   Translation Packing Function applied: top peak will pack
   Translation Packing Cutoff: 50%
   Sampling:  0.73 Angstroms


----------------------------
TRANSLATION FUNCTION #1 OF 1
----------------------------


   SOLU SET 
   SOLU SPAC C 1 2 1
   SOLU TRIAL ENSEMBLE helix_ala EULER  333.515   13.127   89.564 RF   13.8 RFZ  4.30

   SOLU TRIAL ENSEMBLE helix_ala EULER   12.398   10.754  174.381 RF   13.4 RFZ  4.19

   SOLU TRIAL ENSEMBLE helix_ala EULER  341.909   13.205   94.952 RF   13.3 RFZ  4.15

   SOLU TRIAL ENSEMBLE helix_ala EULER   34.180    9.838  125.198 RF   13.1 RFZ  4.11

   SOLU TRIAL ENSEMBLE helix_ala EULER  322.708    9.654   86.767 RF   13.1 RFZ  4.09

   SOLU TRIAL ENSEMBLE helix_ala EULER  297.325    6.002   84.867 RF   12.8 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_ala EULER   15.701   13.308  116.273 RF   12.7 RFZ  3.98

   SOLU TRIAL ENSEMBLE helix_ala EULER  339.748    9.850   28.573 RF   12.6 RFZ  3.96

   SOLU TRIAL ENSEMBLE helix_ala EULER  348.137   11.615  157.104 RF   12.5 RFZ  3.94

   SOLU TRIAL ENSEMBLE helix_ala EULER  168.187    2.392   32.075 RF   12.5 RFZ  3.94

   SOLU TRIAL ENSEMBLE helix_ala EULER  215.674    4.086   53.340 RF   12.4 RFZ  3.90

   SOLU TRIAL ENSEMBLE helix_ala EULER  307.288    6.127   88.612 RF   12.4 RFZ  3.90

   SOLU TRIAL ENSEMBLE helix_ala EULER  316.857   12.870   78.639 RF   12.3 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_ala EULER    7.155   10.672  293.111 RF   12.2 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_ala EULER   40.930   13.123  132.415 RF   12.2 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_ala EULER  160.544    2.049   26.026 RF   12.2 RFZ  3.86

   SOLU TRIAL ENSEMBLE helix_ala EULER   47.817    6.302  125.152 RF   12.2 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_ala EULER  355.797   10.770  272.886 RF   12.2 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_ala EULER  332.681   11.337  282.365 RF   12.1 RFZ  3.84

   SOLU TRIAL ENSEMBLE helix_ala EULER  139.891    4.534  159.981 RF   12.1 RFZ  3.83

   SOLU TRIAL ENSEMBLE helix_ala EULER  325.132    9.004   15.598 RF   12.0 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_ala EULER   69.610    9.186  144.784 RF   12.0 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_ala EULER  287.186    5.809   81.299 RF   11.9 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_ala EULER  151.233    6.009  203.557 RF   11.9 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_ala EULER  287.621    8.835   66.849 RF   11.9 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_ala EULER  206.006    2.232  190.012 RF   11.9 RFZ  3.76

   SOLU TRIAL ENSEMBLE helix_ala EULER  169.928    3.579  171.298 RF   11.8 RFZ  3.75

   SOLU TRIAL ENSEMBLE helix_ala EULER   48.613    8.977  207.414 RF   11.8 RFZ  3.75

   SOLU TRIAL ENSEMBLE helix_ala EULER  115.051    9.071   71.133 RF   11.8 RFZ  3.73

   SOLU TRIAL ENSEMBLE helix_ala EULER   49.257   13.016  137.901 RF   11.8 RFZ  3.73

   SOLU TRIAL ENSEMBLE helix_ala EULER  354.482   11.636  319.239 RF   11.7 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_ala EULER  149.602    4.255  164.144 RF   11.7 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_ala EULER  337.378    6.389   99.642 RF   11.6 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_ala EULER  347.653    5.084  226.274 RF   11.6 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_ala EULER  217.853    3.048  109.695 RF   11.5 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_ala EULER  209.696    5.459    4.417 RF   11.5 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_ala EULER  131.641    3.048  109.695 RF   11.5 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_ala EULER  117.834    5.119  151.360 RF   11.4 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_ala EULER  152.519    1.677   20.361 RF   11.4 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_ala EULER  237.537    4.727   62.150 RF   11.4 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_ala EULER  354.747    3.048  109.695 RF   11.3 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_ala EULER   88.106    5.704  139.711 RF   11.3 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_ala EULER  342.180    5.447  218.030 RF   11.3 RFZ  3.59

   SOLU TRIAL ENSEMBLE helix_ala EULER   17.674    6.459  114.172 RF   11.2 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_ala EULER  107.688    5.371  147.630 RF   11.2 RFZ  3.57

   SOLU TRIAL ENSEMBLE helix_ala EULER  191.842    4.283  327.397 RF   11.1 RFZ  3.56

   SOLU TRIAL ENSEMBLE helix_ala EULER  159.185    9.883   95.721 RF   11.1 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_ala EULER  173.168    4.681  236.506 RF   11.1 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_ala EULER  341.057    3.048  109.695 RF   11.1 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_ala EULER  132.615    9.521   81.069 RF   11.0 RFZ  3.52

   SOLU TRIAL ENSEMBLE helix_ala EULER  227.401    1.130  209.679 RF   11.0 RFZ  3.52

   SOLU TRIAL ENSEMBLE helix_ala EULER  286.074    8.001  166.677 RF   11.0 RFZ  3.51

   SOLU TRIAL ENSEMBLE helix_ala EULER    5.582   11.900  335.780 RF   10.9 RFZ  3.50

   SOLU TRIAL ENSEMBLE helix_ala EULER  233.185    9.638  135.739 RF   10.9 RFZ  3.50

   SOLU TRIAL ENSEMBLE helix_ala EULER   57.633   12.724  143.340 RF   10.9 RFZ  3.50

   SOLU TRIAL ENSEMBLE helix_ala EULER  215.552    9.758  125.869 RF   10.9 RFZ  3.50

   SOLU TRIAL ENSEMBLE helix_ala EULER   27.756   13.089  242.653 RF   10.9 RFZ  3.50

   SOLU TRIAL ENSEMBLE helix_ala EULER  358.595   14.158  356.294 RF   10.9 RFZ  3.49

   SOLU TRIAL ENSEMBLE helix_ala EULER  223.326    9.270  200.791 RF   10.9 RFZ  3.49

   SOLU TRIAL ENSEMBLE helix_ala EULER    8.436    3.048  109.695 RF   10.9 RFZ  3.49

   SOLU TRIAL ENSEMBLE helix_ala EULER   27.736    6.430  117.817 RF   10.9 RFZ  3.49

   SOLU TRIAL ENSEMBLE helix_ala EULER   16.003    4.619  338.982 RF   10.8 RFZ  3.47

   SOLU TRIAL ENSEMBLE helix_ala EULER  221.781    1.497  201.613 RF   10.8 RFZ  3.47

   SOLU TRIAL ENSEMBLE helix_ala EULER   58.402    6.917   33.991 RF   10.8 RFZ  3.46

   SOLU TRIAL ENSEMBLE helix_ala EULER  300.157    7.445  176.336 RF   10.8 RFZ  3.46

   SOLU TRIAL ENSEMBLE helix_ala EULER  334.133   12.724  324.404 RF   10.8 RFZ  3.45

   SOLU TRIAL ENSEMBLE helix_ala EULER  322.975   12.391  307.078 RF   10.7 RFZ  3.45

   SOLU TRIAL ENSEMBLE helix_ala EULER  336.983   13.493  209.023 RF   10.7 RFZ  3.45

   SOLU TRIAL ENSEMBLE helix_ala EULER    2.091   14.689  211.940 RF   10.7 RFZ  3.44

   SOLU TRIAL ENSEMBLE helix_ala EULER  147.943    8.849  220.376 RF   10.7 RFZ  3.44

   SOLU TRIAL ENSEMBLE helix_ala EULER    7.196   16.794  111.045 RF   10.7 RFZ  3.43

   SOLU TRIAL ENSEMBLE helix_ala EULER  224.362    9.756  130.809 RF   10.6 RFZ  3.42

   SOLU TRIAL ENSEMBLE helix_ala EULER  320.501   15.892   32.973 RF   10.6 RFZ  3.41

   SOLU TRIAL ENSEMBLE helix_ala EULER  173.905    7.470  263.134 RF   10.6 RFZ  3.41

   SOLU TRIAL ENSEMBLE helix_ala EULER  326.584   16.531   82.459 RF   10.6 RFZ  3.40

   SOLU TRIAL ENSEMBLE helix_ala EULER  299.989    3.048  109.695 RF   10.5 RFZ  3.39

   SOLU TRIAL ENSEMBLE helix_ala EULER   25.077    5.196  357.343 RF   10.5 RFZ  3.39

   SOLU TRIAL ENSEMBLE helix_ala EULER   31.621   16.748  128.159 RF   10.5 RFZ  3.39

   SOLU TRIAL ENSEMBLE helix_ala EULER  350.879   16.739   99.696 RF   10.5 RFZ  3.39

   SOLU TRIAL ENSEMBLE helix_ala EULER  146.507    0.610  345.312 RF   10.5 RFZ  3.38

   SOLU TRIAL ENSEMBLE helix_ala EULER   39.383   12.616  259.518 RF   10.5 RFZ  3.37

   SOLU TRIAL ENSEMBLE helix_ala EULER  352.824    4.664  234.812 RF   10.5 RFZ  3.37

   SOLU TRIAL ENSEMBLE helix_ala EULER   31.965   15.850  225.069 RF   10.4 RFZ  3.36

   SOLU TRIAL ENSEMBLE helix_ala EULER  225.366    8.924    2.905 RF   10.4 RFZ  3.36

   SOLU TRIAL ENSEMBLE helix_ala EULER  322.679   11.361  264.741 RF   10.4 RFZ  3.35

   SOLU TRIAL ENSEMBLE helix_ala EULER  359.040   16.883  105.368 RF   10.4 RFZ  3.34

   SOLU TRIAL ENSEMBLE helix_ala EULER   43.823    6.301   19.955 RF   10.3 RFZ  3.33

   SOLU TRIAL ENSEMBLE helix_ala EULER  335.091   16.682   46.318 RF   10.3 RFZ  3.31

   SOLU TRIAL ENSEMBLE helix_ala EULER  190.196    7.286  301.697 RF   10.2 RFZ  3.31

   SOLU TRIAL ENSEMBLE helix_ala EULER  343.131   13.268  216.750 RF   10.2 RFZ  3.30

   SOLU TRIAL ENSEMBLE helix_ala EULER   71.938    7.512   44.191 RF   10.2 RFZ  3.30

   SOLU TRIAL ENSEMBLE helix_ala EULER    7.503    3.989  306.381 RF   10.2 RFZ  3.30

   SOLU TRIAL ENSEMBLE helix_ala EULER  201.129   10.360  181.497 RF   10.2 RFZ  3.29

   SOLU TRIAL ENSEMBLE helix_ala EULER  164.923   10.214   35.117 RF   10.1 RFZ  3.28

   SOLU TRIAL ENSEMBLE helix_ala EULER   31.164   16.731  170.220 RF   10.1 RFZ  3.28

   SOLU TRIAL ENSEMBLE helix_ala EULER  203.467    7.855  329.608 RF   10.1 RFZ  3.26

   SOLU TRIAL ENSEMBLE helix_ala EULER   49.504    3.048  109.695 RF   10.0 RFZ  3.25

   SOLU TRIAL ENSEMBLE helix_ala EULER   38.872   16.422  176.527 RF   10.0 RFZ  3.25

   SOLU TRIAL ENSEMBLE helix_ala EULER  194.360    7.423  311.252 RF   10.0 RFZ  3.25

   SOLU TRIAL ENSEMBLE helix_ala EULER   18.666   16.380  209.819 RF    9.9 RFZ  3.22

   SOLU TRIAL ENSEMBLE helix_ala EULER  355.710   16.825   12.723 RF    9.9 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   19.503   15.560   17.281 RF    9.9 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER    1.987   17.158   20.417 RF    9.9 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  159.272    8.260  236.577 RF    9.9 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  153.648    8.617  228.443 RF    9.8 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   44.047   13.965   21.222 RF    9.8 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  290.196    7.223  325.481 RF    9.8 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  340.398   16.117  191.712 RF    9.7 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   50.320   11.717  318.869 RF    9.7 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   45.577   12.689  351.466 RF    9.7 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  270.100    6.848  276.462 RF    9.6 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  358.463   17.458   64.847 RF    9.5 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   89.430    8.309   55.327 RF    9.5 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  245.729    9.653   26.131 RF    9.4 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  315.377   13.204  216.503 RF    9.4 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  343.987   18.129  132.599 RF    9.3 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  238.976    9.766   17.625 RF    9.2 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   23.146   20.144  122.975 RF    9.2 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  257.869    7.343  247.276 RF    9.2 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  231.018   12.452   81.921 RF    9.2 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   14.410   17.873   77.824 RF    9.2 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   89.895    6.838  278.721 RF    9.1 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  161.365   11.901  151.941 RF    9.1 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   56.011   11.759  327.031 RF    9.1 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  113.633   10.200  183.395 RF    9.1 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   82.424    6.967  258.642 RF    9.0 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  284.024   11.740   56.108 RF    8.9 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  330.100   18.324  122.494 RF    8.9 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  298.996   12.717  124.962 RF    8.9 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  109.648   12.708  118.316 RF    8.8 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   46.558   15.850  182.901 RF    8.8 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  343.244   20.046   93.353 RF    8.8 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   15.168   20.160  117.037 RF    8.8 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  273.671   12.887  108.687 RF    8.8 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  180.312   10.742   47.348 RF    8.7 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   40.305   16.025   39.867 RF    8.6 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   71.640   11.774   25.620 RF    8.6 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  176.533   10.786  274.197 RF    8.5 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  287.854   12.322  183.773 RF    8.4 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  335.166   18.625  168.651 RF    8.4 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   99.975   10.807  172.397 RF    8.4 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  318.853   16.531  169.839 RF    8.4 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  280.433   12.667  177.452 RF    8.4 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   78.791   12.134   32.204 RF    8.4 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  301.670   12.684  272.079 RF    8.3 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   28.198   18.158   88.021 RF    8.3 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  181.487   10.815  282.989 RF    8.2 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  258.853   10.292   37.654 RF    8.2 RFZ  2.73 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   65.052   13.016   15.219 RF    8.1 RFZ  2.72 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   60.833   12.576  294.376 RF    8.1 RFZ  2.72 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER    9.941   23.263  177.401 RF    8.1 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER    5.950   24.379  140.015 RF    8.1 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  186.425   10.701  291.795 RF    8.0 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   92.809   12.891  107.480 RF    8.0 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  348.437   18.053  266.274 RF    7.9 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   15.021   27.009  117.522 RF    7.9 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   45.389   18.436   99.771 RF    7.9 RFZ  2.66 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   12.297   23.603   52.363 RF    7.9 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  355.948   21.004  176.679 RF    7.9 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  160.758   11.447  248.688 RF    7.8 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  294.916   13.573  193.710 RF    7.8 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   39.054   19.985  134.959 RF    7.7 RFZ  2.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   16.733   22.829  184.792 RF    7.7 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  157.393   16.382   69.617 RF    7.6 RFZ  2.59 # DEEP


   This TF set has 164 trial orientations


   #    Euler                  Rot-LLG      RF     RFZ  Ensemble
   1     333.5   13.1   89.6      13.8    13.8     4.3 helix_ala
   2      12.4   10.8  174.4      13.4    13.4     4.2 helix_ala
   3     341.9   13.2   95.0      13.3    13.3     4.2 helix_ala
   4      34.2    9.8  125.2      13.1    13.1     4.1 helix_ala
   5     322.7    9.7   86.8      13.1    13.1     4.1 helix_ala
   6     297.3    6.0   84.9      12.8    12.8     4.0 helix_ala
   7      15.7   13.3  116.3      12.7    12.7     4.0 helix_ala
   8     339.7    9.9   28.6      12.6    12.6     4.0 helix_ala
   9     348.1   11.6  157.1      12.5    12.5     3.9 helix_ala
   10    168.2    2.4   32.1      12.5    12.5     3.9 helix_ala
   11    215.7    4.1   53.3      12.4    12.4     3.9 helix_ala
   12    307.3    6.1   88.6      12.4    12.4     3.9 helix_ala
   13    316.9   12.9   78.6      12.3    12.3     3.9 helix_ala
   14      7.2   10.7  293.1      12.2    12.2     3.9 helix_ala
   15     40.9   13.1  132.4      12.2    12.2     3.9 helix_ala
   16    160.5    2.0   26.0      12.2    12.2     3.9 helix_ala
   17     47.8    6.3  125.2      12.2    12.2     3.9 helix_ala
   18    355.8   10.8  272.9      12.2    12.2     3.9 helix_ala
   19    332.7   11.3  282.4      12.1    12.1     3.8 helix_ala
   20    139.9    4.5  160.0      12.1    12.1     3.8 helix_ala
   21    325.1    9.0   15.6      12.0    12.0     3.8 helix_ala
   22     69.6    9.2  144.8      12.0    12.0     3.8 helix_ala
   23    287.2    5.8   81.3      11.9    11.9     3.8 helix_ala
   24    151.2    6.0  203.6      11.9    11.9     3.8 helix_ala
   25    287.6    8.8   66.8      11.9    11.9     3.8 helix_ala
   26    206.0    2.2  190.0      11.9    11.9     3.8 helix_ala
   27    169.9    3.6  171.3      11.8    11.8     3.7 helix_ala
   28     48.6    9.0  207.4      11.8    11.8     3.7 helix_ala
   29    115.1    9.1   71.1      11.8    11.8     3.7 helix_ala
   30     49.3   13.0  137.9      11.8    11.8     3.7 helix_ala
   31    354.5   11.6  319.2      11.7    11.7     3.7 helix_ala
   32    149.6    4.3  164.1      11.7    11.7     3.7 helix_ala
   33    337.4    6.4   99.6      11.6    11.6     3.7 helix_ala
   34    347.7    5.1  226.3      11.6    11.6     3.7 helix_ala
   35    217.9    3.0  109.7      11.5    11.5     3.7 helix_ala
   36    209.7    5.5    4.4      11.5    11.5     3.7 helix_ala
   37    131.6    3.0  109.7      11.5    11.5     3.7 helix_ala
   38    117.8    5.1  151.4      11.4    11.4     3.6 helix_ala
   39    152.5    1.7   20.4      11.4    11.4     3.6 helix_ala
   40    237.5    4.7   62.1      11.4    11.4     3.6 helix_ala
   41    354.7    3.0  109.7      11.3    11.3     3.6 helix_ala
   42     88.1    5.7  139.7      11.3    11.3     3.6 helix_ala
   43    342.2    5.4  218.0      11.3    11.3     3.6 helix_ala
   44     17.7    6.5  114.2      11.2    11.2     3.6 helix_ala
   45    107.7    5.4  147.6      11.2    11.2     3.6 helix_ala
   46    191.8    4.3  327.4      11.1    11.1     3.6 helix_ala
   47    159.2    9.9   95.7      11.1    11.1     3.6 helix_ala
   48    173.2    4.7  236.5      11.1    11.1     3.5 helix_ala
   49    341.1    3.0  109.7      11.1    11.1     3.5 helix_ala
   50    132.6    9.5   81.1      11.0    11.0     3.5 helix_ala
   51    227.4    1.1  209.7      11.0    11.0     3.5 helix_ala
   52    286.1    8.0  166.7      11.0    11.0     3.5 helix_ala
   53      5.6   11.9  335.8      10.9    10.9     3.5 helix_ala
   54    233.2    9.6  135.7      10.9    10.9     3.5 helix_ala
   55     57.6   12.7  143.3      10.9    10.9     3.5 helix_ala
   56    215.6    9.8  125.9      10.9    10.9     3.5 helix_ala
   57     27.8   13.1  242.7      10.9    10.9     3.5 helix_ala
   58    358.6   14.2  356.3      10.9    10.9     3.5 helix_ala
   59    223.3    9.3  200.8      10.9    10.9     3.5 helix_ala
   60      8.4    3.0  109.7      10.9    10.9     3.5 helix_ala
   61     27.7    6.4  117.8      10.9    10.9     3.5 helix_ala
   62     16.0    4.6  339.0      10.8    10.8     3.5 helix_ala
   63    221.8    1.5  201.6      10.8    10.8     3.5 helix_ala
   64     58.4    6.9   34.0      10.8    10.8     3.5 helix_ala
   65    300.2    7.4  176.3      10.8    10.8     3.5 helix_ala
   66    334.1   12.7  324.4      10.8    10.8     3.5 helix_ala
   67    323.0   12.4  307.1      10.7    10.7     3.4 helix_ala
   68    337.0   13.5  209.0      10.7    10.7     3.4 helix_ala
   69      2.1   14.7  211.9      10.7    10.7     3.4 helix_ala
   70    147.9    8.8  220.4      10.7    10.7     3.4 helix_ala
   71      7.2   16.8  111.0      10.7    10.7     3.4 helix_ala
   72    224.4    9.8  130.8      10.6    10.6     3.4 helix_ala
   73    320.5   15.9   33.0      10.6    10.6     3.4 helix_ala
   74    173.9    7.5  263.1      10.6    10.6     3.4 helix_ala
   75    326.6   16.5   82.5      10.6    10.6     3.4 helix_ala
   76    300.0    3.0  109.7      10.5    10.5     3.4 helix_ala
   77     25.1    5.2  357.3      10.5    10.5     3.4 helix_ala
   78     31.6   16.7  128.2      10.5    10.5     3.4 helix_ala
   79    350.9   16.7   99.7      10.5    10.5     3.4 helix_ala
   80    146.5    0.6  345.3      10.5    10.5     3.4 helix_ala
   81     39.4   12.6  259.5      10.5    10.5     3.4 helix_ala
   82    352.8    4.7  234.8      10.5    10.5     3.4 helix_ala
   83     32.0   15.9  225.1      10.4    10.4     3.4 helix_ala
   84    225.4    8.9    2.9      10.4    10.4     3.4 helix_ala
   85    322.7   11.4  264.7      10.4    10.4     3.3 helix_ala
   86    359.0   16.9  105.4      10.4    10.4     3.3 helix_ala
   87     43.8    6.3   20.0      10.3    10.3     3.3 helix_ala
   88    335.1   16.7   46.3      10.3    10.3     3.3 helix_ala
   89    190.2    7.3  301.7      10.2    10.2     3.3 helix_ala
   90    343.1   13.3  216.8      10.2    10.2     3.3 helix_ala
   91     71.9    7.5   44.2      10.2    10.2     3.3 helix_ala
   92      7.5    4.0  306.4      10.2    10.2     3.3 helix_ala
   93    201.1   10.4  181.5      10.2    10.2     3.3 helix_ala
   94    164.9   10.2   35.1      10.1    10.1     3.3 helix_ala
   95     31.2   16.7  170.2      10.1    10.1     3.3 helix_ala
   96    203.5    7.9  329.6      10.1    10.1     3.3 helix_ala
   97     49.5    3.0  109.7      10.0    10.0     3.3 helix_ala
   98     38.9   16.4  176.5      10.0    10.0     3.3 helix_ala
   99    194.4    7.4  311.3      10.0    10.0     3.2 helix_ala
   100    18.7   16.4  209.8       9.9     9.9     3.2 helix_ala
   ----- angles below here for deep search only -----
   101   355.7   16.8   12.7       9.9     9.9     3.2 helix_ala
   102    19.5   15.6   17.3       9.9     9.9     3.2 helix_ala
   103     2.0   17.2   20.4       9.9     9.9     3.2 helix_ala
   104   159.3    8.3  236.6       9.9     9.9     3.2 helix_ala
   105   153.6    8.6  228.4       9.8     9.8     3.2 helix_ala
   106    44.0   14.0   21.2       9.8     9.8     3.2 helix_ala
   107   290.2    7.2  325.5       9.8     9.8     3.2 helix_ala
   108   340.4   16.1  191.7       9.7     9.7     3.2 helix_ala
   109    50.3   11.7  318.9       9.7     9.7     3.2 helix_ala
   110    45.6   12.7  351.5       9.7     9.7     3.2 helix_ala
   111   270.1    6.8  276.5       9.6     9.6     3.1 helix_ala
   112   358.5   17.5   64.8       9.5     9.5     3.1 helix_ala
   113    89.4    8.3   55.3       9.5     9.5     3.1 helix_ala
   114   245.7    9.7   26.1       9.4     9.4     3.1 helix_ala
   115   315.4   13.2  216.5       9.4     9.4     3.1 helix_ala
   116   344.0   18.1  132.6       9.3     9.3     3.0 helix_ala
   117   239.0    9.8   17.6       9.2     9.2     3.0 helix_ala
   118    23.1   20.1  123.0       9.2     9.2     3.0 helix_ala
   119   257.9    7.3  247.3       9.2     9.2     3.0 helix_ala
   120   231.0   12.5   81.9       9.2     9.2     3.0 helix_ala
   121    14.4   17.9   77.8       9.2     9.2     3.0 helix_ala
   122    89.9    6.8  278.7       9.1     9.1     3.0 helix_ala
   123   161.4   11.9  151.9       9.1     9.1     3.0 helix_ala
   124    56.0   11.8  327.0       9.1     9.1     3.0 helix_ala
   125   113.6   10.2  183.4       9.1     9.1     3.0 helix_ala
   126    82.4    7.0  258.6       9.0     9.0     3.0 helix_ala
   127   284.0   11.7   56.1       8.9     8.9     2.9 helix_ala
   128   330.1   18.3  122.5       8.9     8.9     2.9 helix_ala
   129   299.0   12.7  125.0       8.9     8.9     2.9 helix_ala
   130   109.6   12.7  118.3       8.8     8.8     2.9 helix_ala
   131    46.6   15.8  182.9       8.8     8.8     2.9 helix_ala
   132   343.2   20.0   93.4       8.8     8.8     2.9 helix_ala
   133    15.2   20.2  117.0       8.8     8.8     2.9 helix_ala
   134   273.7   12.9  108.7       8.8     8.8     2.9 helix_ala
   135   180.3   10.7   47.3       8.7     8.7     2.9 helix_ala
   136    40.3   16.0   39.9       8.6     8.6     2.9 helix_ala
   137    71.6   11.8   25.6       8.6     8.6     2.8 helix_ala
   138   176.5   10.8  274.2       8.5     8.5     2.8 helix_ala
   139   287.9   12.3  183.8       8.4     8.4     2.8 helix_ala
   140   335.2   18.6  168.7       8.4     8.4     2.8 helix_ala
   141   100.0   10.8  172.4       8.4     8.4     2.8 helix_ala
   142   318.9   16.5  169.8       8.4     8.4     2.8 helix_ala
   143   280.4   12.7  177.5       8.4     8.4     2.8 helix_ala
   144    78.8   12.1   32.2       8.4     8.4     2.8 helix_ala
   145   301.7   12.7  272.1       8.3     8.3     2.8 helix_ala
   146    28.2   18.2   88.0       8.3     8.3     2.8 helix_ala
   147   181.5   10.8  283.0       8.2     8.2     2.7 helix_ala
   148   258.9   10.3   37.7       8.2     8.2     2.7 helix_ala
   149    65.1   13.0   15.2       8.1     8.1     2.7 helix_ala
   150    60.8   12.6  294.4       8.1     8.1     2.7 helix_ala
   151     9.9   23.3  177.4       8.1     8.1     2.7 helix_ala
   152     6.0   24.4  140.0       8.1     8.1     2.7 helix_ala
   153   186.4   10.7  291.8       8.0     8.0     2.7 helix_ala
   154    92.8   12.9  107.5       8.0     8.0     2.7 helix_ala
   155   348.4   18.1  266.3       7.9     7.9     2.7 helix_ala
   156    15.0   27.0  117.5       7.9     7.9     2.7 helix_ala
   157    45.4   18.4   99.8       7.9     7.9     2.7 helix_ala
   158    12.3   23.6   52.4       7.9     7.9     2.6 helix_ala
   159   355.9   21.0  176.7       7.9     7.9     2.6 helix_ala
   160   160.8   11.4  248.7       7.8     7.8     2.6 helix_ala
   161   294.9   13.6  193.7       7.8     7.8     2.6 helix_ala
   162    39.1   20.0  135.0       7.7     7.7     2.6 helix_ala
   163    16.7   22.8  184.8       7.7     7.7     2.6 helix_ala
   164   157.4   16.4   69.6       7.6     7.6     2.6 helix_ala

      100 trial orientations in initial search
      64 trial orientations in deep search


   Scoring 656 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #1 of 1
   0%       100%
   |=========| DONE

   Mean Score (Sigma):       9.05   ( 2.14)

   SET #1 of 1 TRIAL #1 of 100
   ---------------------------
   Ensemble helix_ala Euler 333.51  13.13  89.56 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      362 peaks
      All peaks checked for packing
      Translation peak 5 first to be kept
      Done


   New Top Packing Fast Translation Function FSS = 21.28 (TFZ=4.0) at Trial #1


   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 11 sites over 67.5% of top
   11 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.142  0.000  0.823     21.275  3.97
   2      0.119  0.000  0.267     20.705  3.63
   3      0.306  0.000  0.156     20.522  3.52
   #Sites = 11: output truncated to 3 sites

   Top 11 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #1 of 100
   0% 100%
   |==| DONE

   Packing LLG Translations: pass 1 of 11...
      11 peaks
      1 peaks over 19.1283 checked for packing
      Translation peak 1 first to be kept
      Done
      Exit: found a peak that packs


   New Top (ML) Translation Function LLG = 19.13 (TFZ=4.0) at Trial #1

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.142  0.000  0.823     19.128  3.97   0.0      1     21.275/    21.275
   2      0.306  0.000  0.156     18.458  3.52  16.2      1     20.522/    20.522
   3      0.908 -0.000  0.212     18.275  3.48   3.6      1     20.447/    20.447
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #2 of 100
   ---------------------------
   Ensemble helix_ala Euler  12.40  10.75 174.38 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      303 peaks
      5 peaks over 21.2752 checked for packing
      No translation peaks pack
      Done

   Current Top Packing Fast Translation Function FSS = 21.28 (TFZ=4.0)
   Current Top (ML) Packing Translation Function LLG = 19.13 (TFZ=4.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.950 -0.000  0.920     20.094  3.37
   2      0.926 -0.000  0.243     20.075  3.36
   3      0.895  0.000  0.187     20.038  3.34
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #2 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.950 -0.000  0.920     17.976  3.37   0.0      1     20.094/    20.094
   2      0.895  0.000  0.187     17.808  3.34  20.6      2     20.038/    20.038
   3      0.926 -0.000  0.243     17.773  3.36  21.9      1     20.075/    20.075
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #3 of 100
   ---------------------------
   Ensemble helix_ala Euler 341.91  13.21  94.95 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      338 peaks
      4 peaks over 21.2752 checked for packing
      No translation peaks pack
      Done

   Current Top Packing Fast Translation Function FSS = 21.28 (TFZ=4.0)
   Current Top (ML) Packing Translation Function LLG = 19.13 (TFZ=4.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 11 sites over 67.5% of top
   11 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.961  0.000  0.823     20.082  3.63
   2      0.891  0.000  0.778     19.736  3.43
   3      0.938  0.000  0.267     19.688  3.40
   #Sites = 11: output truncated to 3 sites

   Top 11 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #3 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.961  0.000  0.823     17.874  3.63   0.0      2     20.082/    20.082
   2      0.891  0.000  0.778     17.645  3.43   5.1      1     19.736/    19.736
   3      0.938  0.000  0.267     17.549  3.40  29.7      1     19.688/    19.688
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #4 of 100
   ---------------------------
   Ensemble helix_ala Euler  34.18   9.84 125.20 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      346 peaks
      4 peaks over 21.2752 checked for packing
      No translation peaks pack
      Done

   Current Top Packing Fast Translation Function FSS = 21.28 (TFZ=4.0)
   Current Top (ML) Packing Translation Function LLG = 19.13 (TFZ=4.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.150  0.000  0.798     20.456  3.75
   2      0.954  0.000  0.787     20.275  3.65
   3      0.954 -0.000  0.909     20.174  3.59
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #4 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.345  0.000  0.176     18.077  3.55   0.0      3     20.099/    20.099
   2      0.150  0.000  0.798     18.043  3.75  18.5      1     20.456/    20.456
   3      0.954  0.000  0.787     18.038  3.65  27.6      1     20.275/    20.275
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #5 of 100
   ---------------------------
   Ensemble helix_ala Euler 322.71   9.65  86.77 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      348 peaks
      3 peaks over 21.2752 checked for packing
      No translation peaks pack
      Done

   Current Top Packing Fast Translation Function FSS = 21.28 (TFZ=4.0)
   Current Top (ML) Packing Translation Function LLG = 19.13 (TFZ=4.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.376  0.000  0.264     20.852  4.04
   2      0.212 -0.000  0.198     19.860  3.48
   3      0.962 -0.000  0.931     19.842  3.47
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #5 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.376  0.000  0.264     18.455  4.04   0.0      1     20.852/    20.852
   2      0.212 -0.000  0.198     17.880  3.48  12.8      1     19.860/    19.860
   3      0.329 -0.000  0.142     17.810  3.45   6.0      2     19.822/    19.822
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #6 of 100
   ---------------------------
   Ensemble helix_ala Euler 297.32   6.00  84.87 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      293 peaks
      3 peaks over 21.2752 checked for packing
      No translation peaks pack
      Done

   Current Top Packing Fast Translation Function FSS = 21.28 (TFZ=4.0)
   Current Top (ML) Packing Translation Function LLG = 19.13 (TFZ=4.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.354  0.000  0.196     20.667  4.15
   2      0.893 -0.000  0.796     19.805  3.65
   3      0.182  0.000  0.862     19.412  3.43
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #6 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.354  0.000  0.196     18.403  4.15   0.0      1     20.667/    20.667
   2      0.893 -0.000  0.796     17.756  3.65  23.1      1     19.805/    19.805
   3      0.096  0.000  0.918     16.906  3.21  18.3      1     19.035/    19.035
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #7 of 100
   ---------------------------
   Ensemble helix_ala Euler  15.70  13.31 116.27 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      353 peaks
      4 peaks over 21.2752 checked for packing
      Translation peak 3 first to be kept
      Done


   New Top Packing Fast Translation Function FSS = 21.80 (TFZ=5.0) at Trial #7


   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.938 -0.000  0.901     21.799  4.99
   2      0.352  0.000  0.234     21.445  4.78
   3      0.344 -0.000  0.223     19.505  3.64
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #7 of 100
   0% 100%
   |==| DONE

   Packing LLG Translations: pass 1 of 1...
      5 peaks
      2 peaks over 19.1283 checked for packing
      Translation peak 1 first to be kept
      Done
      Exit: found a peak that packs


   New Top (ML) Translation Function LLG = 19.71 (TFZ=5.0) at Trial #7

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.938 -0.000  0.901     19.708  4.99   0.0      1     21.799/    21.799
   2      0.352  0.000  0.234     19.194  4.78  22.2      2     21.445/    21.445
   3      0.899 -0.000  0.789     17.183  3.47   5.5      1     19.211/    19.211

   SET #1 of 1 TRIAL #8 of 100
   ---------------------------
   Ensemble helix_ala Euler 339.75   9.85  28.57 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      313 peaks
      4 peaks over 21.7992 checked for packing
      No translation peaks pack
      Done

   Current Top Packing Fast Translation Function FSS = 21.80 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.927 -0.000  0.865     21.523  4.71
   2      0.896 -0.000  0.798     21.484  4.69
   3      0.959 -0.000  0.920     20.439  4.09
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #8 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.927 -0.000  0.865     19.212  4.71   0.0      1     21.523/    21.523
   2      0.896 -0.000  0.798     18.994  4.69   3.2      1     21.484/    21.484
   3      0.959 -0.000  0.920     18.265  4.09   2.8      1     20.439/    20.439
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #9 of 100
   ---------------------------
   Ensemble helix_ala Euler 348.14  11.62 157.10 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      385 peaks
      2 peaks over 21.7992 checked for packing
      No translation peaks pack
      Done

   Current Top Packing Fast Translation Function FSS = 21.80 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.917  0.000  0.855     21.775  5.05
   2      0.885  0.000  0.788     20.820  4.49
   3      0.323 -0.000  0.177     19.855  3.94
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #9 of 100
   0% 100%
   |==| DONE

   Packing LLG Translations: pass 1 of 1...
      8 peaks
      1 peaks over 19.7075 checked for packing
      No translation peaks pack
      Done

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.885  0.000  0.788     18.441  4.49   0.0      1     20.820/    20.820
   2      0.940 -0.000  0.899     17.871  3.92   5.4      1     19.824/    19.824
   3      0.323 -0.000  0.177     17.823  3.94  20.8      1     19.855/    19.855
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #10 of 100
   ----------------------------
   Ensemble helix_ala Euler 168.19   2.39  32.08 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      316 peaks
      2 peaks over 21.7992 checked for packing
      No translation peaks pack
      Done

   Current Top Packing Fast Translation Function FSS = 21.80 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 7 sites over 67.5% of top
   7 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.389 -0.000  0.250     21.723  4.71
   2      0.365  0.000  0.184     21.036  4.34
   3      0.373 -0.000  0.195     20.581  4.09
   #Sites = 7: output truncated to 3 sites

   Top 7 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #10 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.389 -0.000  0.250     19.404  4.71   0.0      1     21.723/    21.723
   2      0.365  0.000  0.184     18.524  4.34   3.3      2     21.036/    21.036
   3      0.967  0.000  0.917     17.289  3.51  27.2      1     19.514/    19.514
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #11 of 100
   ----------------------------
   Ensemble helix_ala Euler 215.67   4.09  53.34 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      331 peaks
      2 peaks over 21.7992 checked for packing
      No translation peaks pack
      Done

   Current Top Packing Fast Translation Function FSS = 21.80 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.375  0.000  0.206     21.498  4.73
   2      0.906 -0.000  0.773     21.224  4.57
   3      0.922 -0.000  0.817     20.922  4.41
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #11 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.375  0.000  0.206     19.047  4.73   0.0      1     21.498/    21.498
   2      0.922 -0.000  0.817     18.755  4.41  26.5      1     20.922/    20.922
   3      0.906 -0.000  0.773     18.707  4.57  26.8      1     21.224/    21.224
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #12 of 100
   ----------------------------
   Ensemble helix_ala Euler 307.29   6.13  88.61 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      300 peaks
      1 peaks over 21.7992 checked for packing
      No translation peaks pack
      Done

   Current Top Packing Fast Translation Function FSS = 21.80 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 7 sites over 67.5% of top
   7 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.383  0.000  0.251     21.588  4.79
   2      0.938 -0.000  0.863     20.624  4.25
   3      0.352 -0.000  0.196     20.481  4.17
   #Sites = 7: output truncated to 3 sites

   Top 7 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #12 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.383  0.000  0.251     18.935  4.79   0.0      1     21.588/    21.588
   2      0.938 -0.000  0.863     18.410  4.25  25.6      1     20.624/    20.624
   3      0.352 -0.000  0.196     18.050  4.17   2.8      1     20.481/    20.481
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #13 of 100
   ----------------------------
   Ensemble helix_ala Euler 316.86  12.87  78.64 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      339 peaks
      1 peaks over 21.7992 checked for packing
      No translation peaks pack
      Done

   Current Top Packing Fast Translation Function FSS = 21.80 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 3 sites over 67.5% of top
   3 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.366 -0.000  0.256     21.740  5.47
   2      0.928  0.000  0.878     20.540  4.71
   3      0.342  0.000  0.200     19.293  3.92

   Top 3 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #13 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.366 -0.000  0.256     19.488  5.47   0.0      1     21.740/    21.740
   2      0.928  0.000  0.878     18.615  4.71  22.6      1     20.540/    20.540
   3      0.342  0.000  0.200     17.242  3.92   2.7      1     19.293/    19.293

   SET #1 of 1 TRIAL #14 of 100
   ----------------------------
   Ensemble helix_ala Euler   7.16  10.67 293.11 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      378 peaks
      2 peaks over 21.7992 checked for packing
      Translation peak 2 first to be kept
      Done


   New Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0) at Trial #14


   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 7 sites over 67.5% of top
   7 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.941  0.000  0.898     21.935  5.02
   2      0.347  0.000  0.221     20.880  4.43
   3      0.878  0.000  0.776     20.578  4.26
   #Sites = 7: output truncated to 3 sites

   Top 7 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #14 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.941  0.000  0.898     19.660  5.02   0.0      1     21.935/    21.935
   2      0.347  0.000  0.221     18.248  4.43  22.5      1     20.880/    20.880
   3      0.371 -0.000  0.232     18.084  4.10  24.3      1     20.293/    20.293
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #15 of 100
   ----------------------------
   Ensemble helix_ala Euler  40.93  13.12 132.41 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      336 peaks
      1 peaks over 21.9348 checked for packing
      No translation peaks pack
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 3 sites over 67.5% of top
   3 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.366 -0.000  0.245     21.506  5.31
   2      0.921 -0.000  0.856     20.867  4.91
   3      0.358 -0.000  0.234     20.037  4.39

   Top 3 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #15 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.366 -0.000  0.245     19.297  5.31   0.0      2     21.506/    21.506
   2      0.921 -0.000  0.856     18.722  4.91  22.8      1     20.867/    20.867

   SET #1 of 1 TRIAL #16 of 100
   ----------------------------
   Ensemble helix_ala Euler 160.54   2.05  26.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 7 sites over 67.5% of top
   7 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.911  0.000  0.795     21.817  4.96
   2      0.388 -0.000  0.239     21.733  4.91
   3      0.365 -0.000  0.184     21.653  4.87
   #Sites = 7: output truncated to 3 sites

   Top 7 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #16 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.365 -0.000  0.184     19.229  4.87   0.0      1     21.653/    21.653
   2      0.911  0.000  0.795     19.033  4.96  26.4      1     21.817/    21.817
   3      0.388 -0.000  0.239     18.882  4.91   2.7      1     21.733/    21.733
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #17 of 100
   ----------------------------
   Ensemble helix_ala Euler  47.82   6.30 125.15 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      286 peaks
      1 peaks over 21.9348 checked for packing
      No translation peaks pack
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.899 -0.000  0.796     21.731  4.92
   2      0.930 -0.000  0.851     21.449  4.77
   3      0.360 -0.000  0.185     20.870  4.44
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #17 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.899 -0.000  0.796     19.038  4.92   0.0      1     21.731/    21.731
   2      0.930 -0.000  0.851     18.964  4.77   2.8      1     21.449/    21.449
   3      0.360 -0.000  0.185     18.841  4.44  24.7      2     20.870/    20.870
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #18 of 100
   ----------------------------
   Ensemble helix_ala Euler 355.80  10.77 272.89 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      353 peaks
      1 peaks over 21.9348 checked for packing
      No translation peaks pack
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 7 sites over 67.5% of top
   7 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.933  0.000  0.887     21.552  4.88
   2      0.879 -0.000  0.776     21.299  4.74
   3      0.347 -0.000  0.221     21.256  4.71
   #Sites = 7: output truncated to 3 sites

   Top 7 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #18 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.933  0.000  0.887     19.274  4.88   0.0      1     21.552/    21.552
   2      0.347 -0.000  0.221     18.923  4.71  22.1      3     21.256/    21.256
   3      0.879 -0.000  0.776     18.765  4.74   5.4      1     21.299/    21.299
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #19 of 100
   ----------------------------
   Ensemble helix_ala Euler 332.68  11.34 282.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 7 sites over 67.5% of top
   7 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.341  0.000  0.210     21.461  5.42
   2      0.372 -0.000  0.266     21.138  5.22
   3      0.935 -0.000  0.877     20.662  4.92
   #Sites = 7: output truncated to 3 sites

   Top 7 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #19 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.341  0.000  0.210     19.324  5.42   0.0      1     21.461/    21.461
   2      0.372 -0.000  0.266     18.762  5.22   2.8      1     21.138/    21.138
   3      0.935 -0.000  0.877     18.692  4.92  22.3      1     20.662/    20.662
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #20 of 100
   ----------------------------
   Ensemble helix_ala Euler 139.89   4.53 159.98 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      318 peaks
      1 peaks over 21.9348 checked for packing
      No translation peaks pack
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 7 sites over 67.5% of top
   7 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.383  0.000  0.217     21.835  5.08
   2      0.906  0.000  0.784     20.795  4.50
   3      0.391  0.000  0.228     20.623  4.40
   #Sites = 7: output truncated to 3 sites

   Top 7 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #20 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.383  0.000  0.217     19.187  5.08   0.0      2     21.835/    21.835
   2      0.906  0.000  0.784     18.547  4.50  26.6      1     20.795/    20.795
   3      0.961 -0.000  0.895     18.175  4.33  27.7      1     20.502/    20.502
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #21 of 100
   ----------------------------
   Ensemble helix_ala Euler 325.13   9.00  15.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 7 sites over 67.5% of top
   7 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.892  0.000  0.798     21.496  5.05
   2      0.923 -0.000  0.853     21.489  5.04
   3      0.361  0.000  0.231     20.864  4.68
   #Sites = 7: output truncated to 3 sites

   Top 7 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #21 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.923 -0.000  0.853     19.116  5.04   0.0      1     21.489/    21.489
   2      0.892  0.000  0.798     19.070  5.05   2.8      1     21.496/    21.496
   3      0.361  0.000  0.231     18.379  4.68  23.2      1     20.864/    20.864
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #22 of 100
   ----------------------------
   Ensemble helix_ala Euler  69.61   9.19 144.78 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      299 peaks
      1 peaks over 21.9348 checked for packing
      No translation peaks pack
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.917 -0.000  0.808     21.570  5.53
   2      0.925 -0.000  0.820     19.823  4.44
   3      0.136  0.000  0.253     18.978  3.91
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #22 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.917 -0.000  0.808     19.605  5.53   0.0      2     21.570/    21.570

   SET #1 of 1 TRIAL #23 of 100
   ----------------------------
   Ensemble helix_ala Euler 287.19   5.81  81.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 7 sites over 67.5% of top
   7 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.903  0.000  0.807     21.237  4.96
   2      0.372 -0.000  0.240     21.163  4.92
   3      0.934 -0.000  0.862     20.550  4.57
   #Sites = 7: output truncated to 3 sites

   Top 7 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #23 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.372 -0.000  0.240     19.086  4.92   0.0      1     21.163/    21.163
   2      0.903  0.000  0.807     19.062  4.96  23.5      1     21.237/    21.237
   3      0.934 -0.000  0.862     18.167  4.57  24.5      2     20.550/    20.550
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #24 of 100
   ----------------------------
   Ensemble helix_ala Euler 151.23   6.01 203.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.402 -0.000  0.240     21.350  5.29
   2      0.917 -0.000  0.796     20.697  4.91
   3      0.949 -0.000  0.851     20.685  4.90
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #24 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.402 -0.000  0.240     19.195  5.29   0.0      1     21.350/    21.350
   2      0.949 -0.000  0.851     18.754  4.90  29.0      1     20.685/    20.685
   3      0.917 -0.000  0.796     18.302  4.91  28.1      1     20.697/    20.697
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #25 of 100
   ----------------------------
   Ensemble helix_ala Euler 287.62   8.84  66.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.370  0.000  0.242     21.866  5.77
   2      0.902 -0.000  0.797     21.326  5.44
   3      0.925  0.000  0.853     19.861  4.52
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #25 of 100
   0% 100%
   |==| DONE

   Packing LLG Translations: pass 1 of 1...
      5 peaks
      1 peaks over 19.7075 checked for packing
      No translation peaks pack
      Done

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.902 -0.000  0.797     19.047  5.44   0.0      1     21.326/    21.326
   2      0.925  0.000  0.853     17.830  4.52   2.7      1     19.861/    19.861
   3      0.347  0.000  0.186     17.071  4.04  23.7      1     19.094/    19.094
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #26 of 100
   ----------------------------
   Ensemble helix_ala Euler 206.01   2.23 190.01 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      305 peaks
      1 peaks over 21.9348 checked for packing
      No translation peaks pack
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.395 -0.000  0.250     21.837  5.19
   2      0.941 -0.000  0.861     20.933  4.69
   3      0.371  0.000  0.195     20.537  4.47
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #26 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.395 -0.000  0.250     19.045  5.19   0.0      1     21.837/    21.837
   2      0.941 -0.000  0.861     18.573  4.69  27.0      2     20.933/    20.933
   3      0.371  0.000  0.195     18.166  4.47   2.7      1     20.537/    20.537

   SET #1 of 1 TRIAL #27 of 100
   ----------------------------
   Ensemble helix_ala Euler 169.93   3.58 171.30 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      336 peaks
      1 peaks over 21.9348 checked for packing
      No translation peaks pack
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.390 -0.000  0.239     21.054  4.81
   2      0.914  0.000  0.795     20.145  4.32
   3      0.367  0.000  0.173     19.555  3.99
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #27 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.390 -0.000  0.239     18.684  4.81   0.0      1     21.054/    21.054
   2      0.914  0.000  0.795     17.535  4.32  26.7      1     20.145/    20.145
   3      0.367  0.000  0.173     17.263  3.99   3.3      1     19.555/    19.555
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #28 of 100
   ----------------------------
   Ensemble helix_ala Euler  48.61   8.98 207.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.911  0.000  0.819     20.330  4.75
   2      0.365 -0.000  0.208     20.195  4.67
   3      0.943 -0.000  0.875     19.722  4.38
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #28 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.365 -0.000  0.208     18.190  4.67   0.0      2     20.195/    20.195
   2      0.911  0.000  0.819     18.019  4.75  24.4      1     20.330/    20.330
   3      0.943 -0.000  0.875     17.711  4.38  25.3      1     19.722/    19.722
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #29 of 100
   ----------------------------
   Ensemble helix_ala Euler 115.05   9.07  71.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.401  0.000  0.242     21.159  5.59
   2      0.917  0.000  0.797     21.038  5.51
   3      0.948 -0.000  0.864     19.505  4.52
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #29 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.401  0.000  0.242     19.159  5.59   0.0      1     21.159/    21.159
   2      0.917  0.000  0.797     18.702  5.51  27.8      1     21.038/    21.038
   3      0.948 -0.000  0.864     17.303  4.52  28.3      1     19.505/    19.505
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #30 of 100
   ----------------------------
   Ensemble helix_ala Euler  49.26  13.02 137.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.900  0.000  0.800     20.657  5.43
   2      0.369  0.000  0.245     20.018  5.00

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #30 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.900  0.000  0.800     18.669  5.43   0.0      1     20.657/    20.657
   2      0.369  0.000  0.245     17.912  5.00  23.1      1     20.018/    20.018

   SET #1 of 1 TRIAL #31 of 100
   ----------------------------
   Ensemble helix_ala Euler 354.48  11.64 319.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.908  0.000  0.844     21.811  5.36
   2      0.939 -0.000  0.899     21.463  5.16
   3      0.884 -0.000  0.788     21.379  5.12
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #31 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.908  0.000  0.844     19.475  5.36   0.0      1     21.811/    21.811
   2      0.939 -0.000  0.899     19.253  5.16   2.8      1     21.463/    21.463
   3      0.884 -0.000  0.788     18.676  5.12   2.7      1     21.379/    21.379
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #32 of 100
   ----------------------------
   Ensemble helix_ala Euler 149.60   4.26 164.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.938  0.000  0.839     21.704  5.34
   2      0.914 -0.000  0.784     20.921  4.89
   3      0.391 -0.000  0.228     20.621  4.72
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #32 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.938  0.000  0.839     19.200  5.34   0.0      1     21.704/    21.704
   2      0.914 -0.000  0.784     18.258  4.89   2.7      1     20.921/    20.921
   3      0.391 -0.000  0.228     18.239  4.72  27.7      1     20.621/    20.621
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #33 of 100
   ----------------------------
   Ensemble helix_ala Euler 337.38   6.39  99.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.379 -0.000  0.263     21.212  4.98
   2      0.910  0.000  0.829     20.951  4.83
   3      0.348 -0.000  0.207     20.900  4.80
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #33 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.348 -0.000  0.207     18.735  4.80   0.0      2     20.900/    20.900
   2      0.910  0.000  0.829     18.562  4.83  22.4      1     20.951/    20.951
   3      0.379 -0.000  0.263     18.506  4.98   2.8      1     21.212/    21.212
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #34 of 100
   ----------------------------
   Ensemble helix_ala Euler 347.65   5.08 226.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.374 -0.000  0.251     21.588  5.18
   2      0.905 -0.000  0.806     20.621  4.65
   3      0.936 -0.000  0.862     20.173  4.41
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #34 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.374 -0.000  0.251     19.196  5.18   0.0      1     21.588/    21.588
   2      0.343  0.000  0.195     18.139  4.40   2.8      2     20.158/    20.158
   3      0.936 -0.000  0.862     18.065  4.41  24.6      1     20.173/    20.173
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #35 of 100
   ----------------------------
   Ensemble helix_ala Euler 217.85   3.05 109.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.380  0.000  0.228     21.539  5.17
   2      0.927 -0.000  0.839     20.594  4.66
   3      0.935 -0.000  0.850     20.520  4.62
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #35 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.380  0.000  0.228     19.042  5.17   0.0      1     21.539/    21.539
   2      0.927 -0.000  0.839     18.452  4.66  25.8      2     20.594/    20.594
   3      0.904  0.000  0.784     17.271  4.16  25.7      1     19.674/    19.674
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #36 of 100
   ----------------------------
   Ensemble helix_ala Euler 209.70   5.46   4.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.949  0.000  0.862     20.174  4.86
   2      0.918 -0.000  0.807     20.015  4.76
   3      0.402  0.000  0.251     19.687  4.57
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #36 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.949  0.000  0.862     18.190  4.86   0.0      1     20.174/    20.174
   2      0.918 -0.000  0.807     17.832  4.76   2.8      1     20.015/    20.015
   3      0.402  0.000  0.251     17.364  4.57  28.3      1     19.687/    19.687
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #37 of 100
   ----------------------------
   Ensemble helix_ala Euler 131.64   3.05 109.69 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      309 peaks
      1 peaks over 21.9348 checked for packing
      No translation peaks pack
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.380  0.000  0.206     20.785  4.81
   2      0.951 -0.000  0.873     20.415  4.60
   3      0.904 -0.000  0.261     20.257  4.52
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #37 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.380  0.000  0.206     18.592  4.81   0.0      2     20.785/    20.785
   2      0.951 -0.000  0.873     18.124  4.60  27.6      1     20.415/    20.415
   3      0.904 -0.000  0.261     17.793  4.52  23.7      1     20.257/    20.257

   SET #1 of 1 TRIAL #38 of 100
   ----------------------------
   Ensemble helix_ala Euler 117.83   5.12 151.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.928 -0.000  0.829     21.933  5.83
   2      0.381 -0.000  0.206     20.225  4.82
   3      0.904 -0.000  0.773     19.893  4.63
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #38 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.928 -0.000  0.829     19.469  5.83   0.0      1     21.933/    21.933
   2      0.381 -0.000  0.206     18.103  4.82  27.1      2     20.225/    20.225
   3      0.904 -0.000  0.773     17.439  4.63   2.7      1     19.893/    19.893
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #39 of 100
   ----------------------------
   Ensemble helix_ala Euler 152.52   1.68  20.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 7 sites over 67.5% of top
   7 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.387 -0.000  0.239     21.325  5.12
   2      0.934 -0.000  0.850     21.285  5.10
   3      0.910  0.000  0.795     21.231  5.07
   #Sites = 7: output truncated to 3 sites

   Top 7 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #39 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.934 -0.000  0.850     18.755  5.10   0.0      1     21.285/    21.285
   2      0.387 -0.000  0.239     18.708  5.12  26.3      1     21.325/    21.325
   3      0.910  0.000  0.795     18.397  5.07   2.7      1     21.231/    21.231
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #40 of 100
   ----------------------------
   Ensemble helix_ala Euler 237.54   4.73  62.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.936 -0.000  0.840     21.361  5.50
   2      0.381  0.000  0.218     20.718  5.12
   3      0.959 -0.000  0.895     19.892  4.64
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #40 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.936 -0.000  0.840     19.060  5.50   0.0      1     21.361/    21.361
   2      0.381  0.000  0.218     18.258  5.12  27.0      2     20.718/    20.718
   3      0.959 -0.000  0.895     17.753  4.64   2.7      1     19.892/    19.892
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #41 of 100
   ----------------------------
   Ensemble helix_ala Euler 354.75   3.05 109.69 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      316 peaks
      2 peaks over 21.9348 checked for packing
      No translation peaks pack
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.385  0.000  0.773     20.841  4.58
   2      0.900  0.000  0.773     20.440  4.37
   3      0.939  0.000  0.884     19.992  4.14
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #41 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.385  0.000  0.773     18.481  4.58   0.0      1     20.841/    20.841
   2      0.900  0.000  0.773     18.039  4.37  26.7      1     20.440/    20.440
   3      0.939  0.000  0.884     17.595  4.14  32.0      2     19.992/    19.992
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #42 of 100
   ----------------------------
   Ensemble helix_ala Euler  88.11   5.70 139.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.923  0.000  0.818     21.187  5.25
   2      0.939  0.000  0.873     19.858  4.49
   3      0.392  0.000  0.251     19.215  4.12
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #42 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.923  0.000  0.818     18.768  5.25   0.0      1     21.187/    21.187
   2      0.939  0.000  0.873     17.756  4.49   2.8      1     19.858/    19.858
   3      0.368  0.000  0.196     16.827  4.08  26.3      1     19.153/    19.153
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #43 of 100
   ----------------------------
   Ensemble helix_ala Euler 342.18   5.45 218.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 3 sites over 67.5% of top
   3 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.373 -0.000  0.251     20.743  4.98
   2      0.928  0.000  0.862     19.958  4.55
   3      0.905  0.000  0.807     19.954  4.54

   Top 3 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #43 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.373 -0.000  0.251     18.503  4.98   0.0      1     20.743/    20.743
   2      0.928  0.000  0.862     17.702  4.55  23.9      1     19.958/    19.958
   3      0.905  0.000  0.807     17.453  4.54  23.5      1     19.954/    19.954

   SET #1 of 1 TRIAL #44 of 100
   ----------------------------
   Ensemble helix_ala Euler  17.67   6.46 114.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.918 -0.000  0.840     21.634  5.36
   2      0.895 -0.000  0.785     21.054  5.05
   3      0.363 -0.000  0.229     20.681  4.84
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #44 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.918 -0.000  0.840     19.025  5.36   0.0      1     21.634/    21.634
   2      0.895 -0.000  0.785     18.406  5.05   2.7      1     21.054/    21.054
   3      0.363 -0.000  0.229     18.228  4.84  23.4      1     20.681/    20.681
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #45 of 100
   ----------------------------
   Ensemble helix_ala Euler 107.69   5.37 147.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 7 sites over 67.5% of top
   7 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.380  0.000  0.207     20.757  5.26
   2      0.958 -0.000  0.884     19.871  4.74
   3      0.903 -0.000  0.262     19.569  4.56
   #Sites = 7: output truncated to 3 sites

   Top 7 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #45 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.380  0.000  0.207     18.542  5.26   0.0      1     20.757/    20.757
   2      0.958 -0.000  0.884     17.759  4.74  27.8      1     19.871/    19.871
   3      0.919 -0.000  0.818     17.333  4.52  26.6      2     19.492/    19.492
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #46 of 100
   ----------------------------
   Ensemble helix_ala Euler 191.84   4.28 327.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.940  0.000  0.851     20.832  5.15
   2      0.393  0.000  0.229     19.422  4.37
   3      0.916  0.000  0.795     18.746  3.99
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #46 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.940  0.000  0.851     18.388  5.15   0.0      1     20.832/    20.832
   2      0.393  0.000  0.229     16.997  4.37  27.7      1     19.422/    19.422
   3      0.963  0.000  0.906     16.510  3.95   2.7      1     18.678/    18.678
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #47 of 100
   ----------------------------
   Ensemble helix_ala Euler 159.18   9.88  95.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.967  0.000  0.887     20.250  5.17
   2      0.943  0.000  0.820     19.481  4.70
   3      0.396  0.000  0.209     19.454  4.69
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #47 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.967  0.000  0.887     18.101  5.17   0.0      1     20.250/    20.250
   2      0.943  0.000  0.820     17.343  4.70   3.3      1     19.481/    19.481
   3      0.396  0.000  0.209     17.146  4.69  30.0      1     19.454/    19.454
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #48 of 100
   ----------------------------
   Ensemble helix_ala Euler 173.17   4.68 236.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.932 -0.000  0.817     20.132  4.83
   2      0.955  0.000  0.873     19.725  4.60
   3      0.377 -0.000  0.195     19.596  4.53
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #48 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.932 -0.000  0.817     17.840  4.83   0.0      1     20.132/    20.132
   2      0.955  0.000  0.873     17.539  4.60   2.7      1     19.725/    19.725
   3      0.377 -0.000  0.195     17.206  4.53  28.0      1     19.596/    19.596
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #49 of 100
   ----------------------------
   Ensemble helix_ala Euler 341.06   3.05 109.69 

   Doing Fast Translation Function FFT...
      Done

   Packing Fast Search Translations...
      297 peaks
      1 peaks over 21.9348 checked for packing
      No translation peaks pack
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 9 sites over 67.5% of top
   9 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.361 -0.000  0.217     20.854  4.97
   2      0.940  0.000  0.884     20.693  4.89
   3      0.385  0.000  0.773     20.284  4.66
   #Sites = 9: output truncated to 3 sites

   Top 9 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #49 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.361 -0.000  0.217     18.556  4.97   0.0      4     20.854/    20.854
   2      0.940  0.000  0.884     18.315  4.89  24.2      1     20.693/    20.693
   3      0.385  0.000  0.773     17.963  4.66  23.0      1     20.284/    20.284
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #50 of 100
   ----------------------------
   Ensemble helix_ala Euler 132.61   9.52  81.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.406 -0.000  0.253     21.084  5.98
   2      0.930 -0.000  0.809     20.771  5.78
   3      0.953 -0.000  0.864     19.828  5.17
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #50 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.406 -0.000  0.253     18.643  5.98   0.0      1     21.084/    21.084
   2      0.930 -0.000  0.809     18.434  5.78  28.7      2     20.771/    20.771
   3      0.953 -0.000  0.864     17.790  5.17  29.0      2     19.828/    19.828

   SET #1 of 1 TRIAL #51 of 100
   ----------------------------
   Ensemble helix_ala Euler 227.40   1.13 209.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.377  0.000  0.206     20.601  4.97
   2      0.916  0.000  0.817     20.303  4.81
   3      0.392 -0.000  0.261     20.170  4.73
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #51 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.377  0.000  0.206     18.205  4.97   0.0      2     20.601/    20.601
   2      0.916  0.000  0.817     17.872  4.81  26.1      2     20.303/    20.303
   3      0.947  0.000  0.883     17.720  4.69  26.6      2     20.089/    20.089
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #52 of 100
   ----------------------------
   Ensemble helix_ala Euler 286.07   8.00 166.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.918  0.000  0.830     20.676  5.75
   2      0.387 -0.000  0.774     20.023  5.33
   3      0.364 -0.000  0.219     18.840  4.58
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #52 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.918  0.000  0.830     18.489  5.75   0.0      1     20.676/    20.676
   2      0.387 -0.000  0.774     18.073  5.33  29.5      1     20.023/    20.023
   3      0.364 -0.000  0.219     16.964  4.58  24.2      1     18.840/    18.840
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #53 of 100
   ----------------------------
   Ensemble helix_ala Euler   5.58  11.90 335.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.915 -0.000  0.855     20.766  5.32
   2      0.946  0.000  0.911     19.399  4.54
   3      0.353  0.000  0.233     19.118  4.38
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #53 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.915 -0.000  0.855     18.545  5.32   0.0      1     20.766/    20.766
   2      0.946  0.000  0.911     17.331  4.54   2.8      1     19.399/    19.399
   3      0.353  0.000  0.233     16.613  4.38  21.5      1     19.118/    19.118
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #54 of 100
   ----------------------------
   Ensemble helix_ala Euler 233.18   9.64 135.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.396 -0.000  0.242     20.830  5.78
   2      0.919 -0.000  0.798     20.404  5.51
   3      0.927  0.000  0.809     19.993  5.25
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #54 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.396 -0.000  0.242     18.465  5.78   0.0      1     20.830/    20.830
   2      0.919 -0.000  0.798     18.038  5.51  27.5      2     20.404/    20.404
   3      0.951 -0.000  0.864     17.084  4.79  28.1      1     19.273/    19.273

   SET #1 of 1 TRIAL #55 of 100
   ----------------------------
   Ensemble helix_ala Euler  57.63  12.72 143.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.380 -0.000  0.255     18.849  4.86
   2      0.911 -0.000  0.811     18.708  4.76

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #55 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.380 -0.000  0.255     16.844  4.86   0.0      1     18.849/    18.849
   2      0.911 -0.000  0.811     16.838  4.76  24.4      1     18.708/    18.708

   SET #1 of 1 TRIAL #56 of 100
   ----------------------------
   Ensemble helix_ala Euler 215.55   9.76 125.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 3 sites over 67.5% of top
   3 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.955 -0.000  0.853     20.343  5.20
   2      0.393  0.000  0.231     18.833  4.31
   3      0.401  0.000  0.242     18.681  4.22

   Top 3 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #56 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.955 -0.000  0.853     18.284  5.20   0.0      1     20.343/    20.343
   2      0.393  0.000  0.231     16.704  4.31  29.0      2     18.833/    18.833

   SET #1 of 1 TRIAL #57 of 100
   ----------------------------
   Ensemble helix_ala Euler  27.76  13.09 242.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 3 sites over 67.5% of top
   3 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.909  0.000  0.834     20.139  5.39
   2      0.878  0.000  0.778     19.171  4.78
   3      0.932  0.000  0.889     18.873  4.59

   Top 3 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #57 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.909  0.000  0.834     17.965  5.39   0.0      1     20.139/    20.139
   2      0.932  0.000  0.889     17.047  4.59   2.7      1     18.873/    18.873
   3      0.878  0.000  0.778     16.997  4.78   2.8      1     19.171/    19.171

   SET #1 of 1 TRIAL #58 of 100
   ----------------------------
   Ensemble helix_ala Euler 358.59  14.16 356.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.911  0.000  0.857     21.213  5.67
   2      0.942 -0.000  0.913     20.919  5.49
   3      0.880 -0.000  0.802     19.741  4.81
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #58 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.911  0.000  0.857     18.979  5.67   0.0      1     21.213/    21.213
   2      0.942 -0.000  0.913     18.805  5.49   2.8      1     20.919/    20.919
   3      0.880 -0.000  0.802     17.456  4.81   2.8      1     19.741/    19.741
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #59 of 100
   ----------------------------
   Ensemble helix_ala Euler 223.33   9.27 200.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.179  0.000  0.819     19.448  4.88
   2      0.156  0.000  0.264     18.817  4.49
   3      0.937  0.000  0.819     18.769  4.46
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #59 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.179  0.000  0.819     17.007  4.88   0.0      1     19.448/    19.448
   2      0.937  0.000  0.819     16.801  4.46  22.4      1     18.769/    18.769
   3      0.953 -0.000  0.875     16.552  4.36  23.4      1     18.607/    18.607
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #60 of 100
   ----------------------------
   Ensemble helix_ala Euler   8.44   3.05 109.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 9 sites over 67.5% of top
   9 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.924 -0.000  0.839     20.798  4.99
   2      0.369 -0.000  0.217     20.399  4.78
   3      0.377  0.000  0.228     19.570  4.34
   #Sites = 9: output truncated to 3 sites

   Top 9 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #60 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.924 -0.000  0.839     18.218  4.99   0.0      1     20.798/    20.798
   2      0.369 -0.000  0.217     17.688  4.78  24.9      2     20.399/    20.399
   3      0.893  0.000  0.784     17.145  4.33   2.8      3     19.558/    19.558
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #61 of 100
   ----------------------------
   Ensemble helix_ala Euler  27.74   6.43 117.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.927 -0.000  0.840     20.776  5.16
   2      0.365 -0.000  0.229     20.120  4.80
   3      0.896  0.000  0.785     19.160  4.27
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #61 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.927 -0.000  0.840     18.632  5.16   0.0      1     20.776/    20.776
   2      0.365 -0.000  0.229     17.664  4.80  24.3      1     20.120/    20.120
   3      0.349  0.000  0.174     16.665  4.02  24.9      1     18.714/    18.714
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #62 of 100
   ----------------------------
   Ensemble helix_ala Euler  16.00   4.62 338.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.381  0.000  0.240     20.385  4.95
   2      0.897  0.000  0.795     20.255  4.88
   3      0.928 -0.000  0.851     19.707  4.58
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #62 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.381  0.000  0.240     18.263  4.95   0.0      1     20.385/    20.385
   2      0.897  0.000  0.795     17.762  4.88  24.3      1     20.255/    20.255
   3      0.928 -0.000  0.851     17.312  4.58  25.3      1     19.707/    19.707
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #63 of 100
   ----------------------------
   Ensemble helix_ala Euler 221.78   1.50 201.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.916 -0.000  0.817     20.395  5.05
   2      0.362 -0.000  0.206     19.669  4.65
   3      0.940 -0.000  0.872     19.480  4.54
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #63 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.916 -0.000  0.817     17.939  5.05   0.0      1     20.395/    20.395
   2      0.362 -0.000  0.206     17.548  4.65  24.8      1     19.669/    19.669
   3      0.940 -0.000  0.872     17.351  4.54   2.7      1     19.480/    19.480
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #64 of 100
   ----------------------------
   Ensemble helix_ala Euler  58.40   6.92  33.99 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.900  0.000  0.774     19.518  4.91
   2      0.923 -0.000  0.830     19.429  4.86
   3      0.368  0.000  0.207     18.928  4.55
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #64 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.900  0.000  0.774     17.570  4.91   0.0      1     19.518/    19.518
   2      0.923 -0.000  0.830     17.337  4.86   2.7      1     19.429/    19.429
   3      0.376  0.000  0.219     16.945  4.50  25.8      2     18.841/    18.928

   SET #1 of 1 TRIAL #65 of 100
   ----------------------------
   Ensemble helix_ala Euler 300.16   7.45 176.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.915  0.000  0.841     20.847  5.76
   2      0.892  0.000  0.785     19.692  5.05
   3      0.384 -0.000  0.774     19.166  4.73
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #65 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.915  0.000  0.841     18.790  5.76   0.0      2     20.847/    20.847
   2      0.892  0.000  0.785     17.610  5.05   2.7      1     19.692/    19.692
   3      0.384 -0.000  0.774     17.373  4.73  29.9      1     19.166/    19.166
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #66 of 100
   ----------------------------
   Ensemble helix_ala Euler 334.13  12.72 324.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 3 sites over 67.5% of top
   3 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.909  0.000  0.845     20.148  5.49
   2      0.878  0.000  0.789     19.237  4.91
   3      0.346  0.000  0.222     18.688  4.57

   Top 3 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #66 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.909  0.000  0.845     18.132  5.49   0.0      1     20.148/    20.148
   2      0.878  0.000  0.789     17.213  4.91   2.8      1     19.237/    19.237
   3      0.346  0.000  0.222     16.512  4.57  21.1      1     18.688/    18.688

   SET #1 of 1 TRIAL #67 of 100
   ----------------------------
   Ensemble helix_ala Euler 322.98  12.39 307.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.904 -0.000  0.833     18.913  5.07
   2      0.342  0.000  0.222     18.571  4.84

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #67 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.904 -0.000  0.833     16.994  5.07   0.0      1     18.913/    18.913
   2      0.342  0.000  0.222     16.752  4.84  20.6      1     18.571/    18.571

   SET #1 of 1 TRIAL #68 of 100
   ----------------------------
   Ensemble helix_ala Euler 336.98  13.49 209.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #69 of 100
   ----------------------------
   Ensemble helix_ala Euler   2.09  14.69 211.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.919 -0.000  0.868     20.495  5.39
   2      0.888  0.000  0.813     19.921  5.05
   3      0.357  0.000  0.257     19.383  4.74
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #69 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.919 -0.000  0.868     18.277  5.39   0.0      1     20.495/    20.495
   2      0.888  0.000  0.813     17.439  5.05   2.8      1     19.921/    19.921
   3      0.333  0.000  0.202     17.216  4.73  20.7      1     19.370/    19.370
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #70 of 100
   ----------------------------
   Ensemble helix_ala Euler 147.94   8.85 220.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.954  0.000  0.864     19.031  5.09
   2      0.930  0.000  0.808     18.998  5.06

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #70 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.954  0.000  0.864     17.099  5.09   0.0      1     19.031/    19.031
   2      0.930  0.000  0.808     17.029  5.06   2.7      1     18.998/    18.998

   SET #1 of 1 TRIAL #71 of 100
   ----------------------------
   Ensemble helix_ala Euler   7.20  16.79 111.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.900 -0.000  0.838     19.352  4.89

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #71 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.900 -0.000  0.838     16.943  4.89   0.0      1     19.352/    19.352

   SET #1 of 1 TRIAL #72 of 100
   ----------------------------
   Ensemble helix_ala Euler 224.36   9.76 130.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.398 -0.000  0.242     20.639  5.85
   2      0.922 -0.000  0.798     19.710  5.26
   3      0.953  0.000  0.853     18.789  4.68
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #72 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.398 -0.000  0.242     18.335  5.85   0.0      1     20.639/    20.639
   2      0.922 -0.000  0.798     17.271  5.26  28.0      1     19.710/    19.710
   3      0.953  0.000  0.853     16.803  4.68  28.9      1     18.789/    18.789
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #73 of 100
   ----------------------------
   Ensemble helix_ala Euler 320.50  15.89  32.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.885 -0.000  0.804     19.300  5.53

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #73 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.885 -0.000  0.804     17.335  5.53   0.0      1     19.300/    19.300

   SET #1 of 1 TRIAL #74 of 100
   ----------------------------
   Ensemble helix_ala Euler 173.90   7.47 263.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.962  0.000  0.885     19.847  5.05
   2      0.407  0.000  0.263     19.448  4.82
   3      0.391 -0.000  0.207     19.383  4.78
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #74 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.962  0.000  0.885     17.649  5.05   0.0      1     19.847/    19.847
   2      0.360  0.000  0.152     17.187  4.76  28.2      1     19.345/    19.345
   3      0.407  0.000  0.263     16.969  4.82  28.9      1     19.448/    19.448
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #75 of 100
   ----------------------------
   Ensemble helix_ala Euler 326.58  16.53  82.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.898 -0.000  0.826     19.540  5.59

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #75 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.898 -0.000  0.826     17.506  5.59   0.0      1     19.540/    19.540

   SET #1 of 1 TRIAL #76 of 100
   ----------------------------
   Ensemble helix_ala Euler 299.99   3.05 109.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.911 -0.000  0.817     20.095  4.96
   2      0.934 -0.000  0.873     19.852  4.83
   3      0.356  0.000  0.206     19.437  4.60
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #76 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.934 -0.000  0.873     17.683  4.83   0.0      1     19.852/    19.852
   2      0.911 -0.000  0.817     17.679  4.96   2.7      1     20.095/    20.095
   3      0.356  0.000  0.206     17.236  4.60  23.9      2     19.437/    19.437
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #77 of 100
   ----------------------------
   Ensemble helix_ala Euler  25.08   5.20 357.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 3 sites over 67.5% of top
   3 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.936  0.000  0.862     20.200  5.18
   2      0.904 -0.000  0.807     19.109  4.56
   3      0.381 -0.000  0.251     18.892  4.44

   Top 3 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #77 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.936  0.000  0.862     17.999  5.18   0.0      1     20.200/    20.200
   2      0.904 -0.000  0.807     16.700  4.56   2.8      1     19.109/    19.109
   3      0.381 -0.000  0.251     16.682  4.44  25.2      1     18.892/    18.892

   SET #1 of 1 TRIAL #78 of 100
   ----------------------------
   Ensemble helix_ala Euler  31.62  16.75 128.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #79 of 100
   ----------------------------
   Ensemble helix_ala Euler 350.88  16.74  99.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.900 -0.000  0.838     19.915  5.43
   2      0.924 -0.000  0.893     19.381  5.09

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #79 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.900 -0.000  0.838     17.574  5.43   0.0      1     19.915/    19.915
   2      0.924 -0.000  0.893     17.335  5.09   2.7      1     19.381/    19.381

   SET #1 of 1 TRIAL #80 of 100
   ----------------------------
   Ensemble helix_ala Euler 146.51   0.61 345.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.924 -0.000  0.839     20.861  5.37
   2      0.908  0.000  0.783     20.245  5.03
   3      0.385  0.000  0.228     20.105  4.95
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #80 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.924 -0.000  0.839     18.463  5.37   0.0      1     20.861/    20.861
   2      0.385  0.000  0.228     17.706  4.95  25.9      2     20.105/    20.105
   3      0.908  0.000  0.783     17.565  5.03   2.8      1     20.245/    20.245
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #81 of 100
   ----------------------------
   Ensemble helix_ala Euler  39.38  12.62 259.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #82 of 100
   ----------------------------
   Ensemble helix_ala Euler 352.82   4.66 234.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 3 sites over 67.5% of top
   3 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.906 -0.000  0.817     19.424  4.66
   2      0.367 -0.000  0.206     18.581  4.20
   3      0.359 -0.000  0.195     18.557  4.19

   Top 3 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #82 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.906 -0.000  0.817     17.187  4.66   0.0      1     19.424/    19.424
   2      0.367 -0.000  0.206     16.529  4.20  24.2      2     18.581/    18.581

   SET #1 of 1 TRIAL #83 of 100
   ----------------------------
   Ensemble helix_ala Euler  31.97  15.85 225.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #84 of 100
   ----------------------------
   Ensemble helix_ala Euler 225.37   8.92   2.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #85 of 100
   ----------------------------
   Ensemble helix_ala Euler 322.68  11.36 264.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.898 -0.000  0.821     18.774  5.14

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #85 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.898 -0.000  0.821     17.001  5.14   0.0      1     18.774/    18.774

   SET #1 of 1 TRIAL #86 of 100
   ----------------------------
   Ensemble helix_ala Euler 359.04  16.88 105.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.900  0.000  0.838     20.311  5.29
   2      0.931 -0.000  0.893     18.844  4.44
   3      0.345  0.000  0.227     18.808  4.42
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #86 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.900  0.000  0.838     17.532  5.29   0.0      1     20.311/    20.311
   2      0.931 -0.000  0.893     16.371  4.44   2.8      1     18.844/    18.844
   3      0.345  0.000  0.227     16.316  4.42  20.2      1     18.808/    18.808
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #87 of 100
   ----------------------------
   Ensemble helix_ala Euler  43.82   6.30  19.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 3 sites over 67.5% of top
   3 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.944 -0.000  0.874     18.750  4.75
   2      0.921  0.000  0.818     18.434  4.56
   3      0.163  0.000  0.818     18.356  4.51

   Top 3 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #87 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.944 -0.000  0.874     16.895  4.75   0.0      1     18.750/    18.750
   2      0.921  0.000  0.818     16.556  4.56   2.7      1     18.434/    18.434
   3      0.163  0.000  0.818     16.039  4.51  22.6      1     18.356/    18.356

   SET #1 of 1 TRIAL #88 of 100
   ----------------------------
   Ensemble helix_ala Euler 335.09  16.68  46.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.356 -0.000  0.260     19.419  5.55
   2      0.887 -0.000  0.816     19.208  5.41
   3      0.918  0.000  0.871     18.784  5.13
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #88 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.356 -0.000  0.260     17.145  5.55   0.0      1     19.419/    19.419
   2      0.887 -0.000  0.816     16.921  5.41  19.7      1     19.208/    19.208
   3      0.918  0.000  0.871     16.626  5.13  20.9      1     18.784/    18.784
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #89 of 100
   ----------------------------
   Ensemble helix_ala Euler 190.20   7.29 301.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.970  0.000  0.896     19.671  5.20
   2      0.946  0.000  0.841     19.351  5.01
   3      0.923  0.000  0.785     19.299  4.98
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #89 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.970  0.000  0.896     17.510  5.20   0.0      1     19.671/    19.671
   2      0.946  0.000  0.841     17.094  5.01   2.7      1     19.351/    19.351
   3      0.923  0.000  0.785     16.896  4.98   5.4      1     19.299/    19.299
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #90 of 100
   ----------------------------
   Ensemble helix_ala Euler 343.13  13.27 216.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 3 sites over 67.5% of top
   3 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.923 -0.000  0.867     18.766  5.19
   2      0.360 -0.000  0.256     18.640  5.11
   3      0.891 -0.000  0.811     18.426  4.97

   Top 3 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #90 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.923 -0.000  0.867     16.826  5.19   0.0      1     18.766/    18.766
   2      0.360 -0.000  0.256     16.624  5.11  21.9      1     18.640/    18.640
   3      0.891 -0.000  0.811     16.330  4.97   2.8      1     18.426/    18.426

   SET #1 of 1 TRIAL #91 of 100
   ----------------------------
   Ensemble helix_ala Euler  71.94   7.51  44.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.903  0.000  0.774     18.524  4.82

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #91 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.903  0.000  0.774     16.715  4.82   0.0      1     18.524/    18.524

   SET #1 of 1 TRIAL #92 of 100
   ----------------------------
   Ensemble helix_ala Euler   7.50   3.99 306.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.930 -0.000  0.840     20.073  5.09
   2      0.891 -0.000  0.784     19.939  5.01
   3      0.367  0.000  0.228     19.581  4.82
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #92 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.930 -0.000  0.840     17.724  5.09   0.0      1     20.073/    20.073
   2      0.891 -0.000  0.784     17.576  5.01   3.0      1     19.939/    19.939
   3      0.383  0.000  0.228     17.273  4.69  26.3      2     19.351/    19.581
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #93 of 100
   ----------------------------
   Ensemble helix_ala Euler 201.13  10.36 181.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.959 -0.000  0.865     19.807  5.68
   2      0.935  0.000  0.809     18.467  4.82

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #93 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.959 -0.000  0.865     17.695  5.68   0.0      1     19.807/    19.807
   2      0.935  0.000  0.809     16.012  4.82   2.7      1     18.467/    18.467

   SET #1 of 1 TRIAL #94 of 100
   ----------------------------
   Ensemble helix_ala Euler 164.92  10.21  35.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.961  0.000  0.865     19.815  5.56

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #94 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.961  0.000  0.865     17.674  5.56   0.0      1     19.815/    19.815

   SET #1 of 1 TRIAL #95 of 100
   ----------------------------
   Ensemble helix_ala Euler  31.16  16.73 170.22 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #96 of 100
   ----------------------------
   Ensemble helix_ala Euler 203.47   7.85 329.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 3 sites over 67.5% of top
   3 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.923  0.000  0.797     19.110  5.27
   2      0.947 -0.000  0.852     18.726  5.03
   3      0.970 -0.000  0.908     18.367  4.81

   Top 3 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #96 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.923  0.000  0.797     16.706  5.27   0.0      1     19.110/    19.110
   2      0.947 -0.000  0.852     16.580  5.03   2.7      1     18.726/    18.726
   3      0.970 -0.000  0.908     16.529  4.81   5.4      1     18.367/    18.367

   SET #1 of 1 TRIAL #97 of 100
   ----------------------------
   Ensemble helix_ala Euler  49.50   3.05 109.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.927 -0.000  0.850     19.698  5.00
   2      0.372 -0.000  0.239     19.231  4.74
   3      0.356  0.000  0.173     19.152  4.70
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #97 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.927 -0.000  0.850     17.313  5.00   0.0      1     19.698/    19.698
   2      0.372 -0.000  0.239     17.097  4.74  24.3      2     19.231/    19.231
   3      0.356  0.000  0.173     16.968  4.70  25.2      1     19.152/    19.152
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 1 TRIAL #98 of 100
   ----------------------------
   Ensemble helix_ala Euler  38.87  16.42 176.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #99 of 100
   ----------------------------
   Ensemble helix_ala Euler 194.36   7.42 311.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.946  0.000  0.841     18.403  4.67
   2      0.923  0.000  0.785     18.369  4.65

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #99 of 100
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.946  0.000  0.841     16.349  4.67   0.0      1     18.403/    18.403
   2      0.923  0.000  0.785     16.133  4.65   2.7      1     18.369/    18.369

   SET #1 of 1 TRIAL #100 of 100
   -----------------------------
   Ensemble helix_ala Euler  18.67  16.38 209.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring


-------------------------
DEEP TRANSLATION FUNCTION
-------------------------

   Best TFZ is NOT over Z-score cutoff for definite solution (8.00)
   Search deep in trial orientation list

---------------------------------
DEEP TRANSLATION FUNCTION #1 OF 1
---------------------------------

   64 trial orientations in deep search


   SOLU SET 
   SOLU SPAC C 1 2 1
   SOLU TRIAL ENSEMBLE helix_ala EULER  333.515   13.127   89.564 RF   13.8 RFZ  4.30

   SOLU TRIAL ENSEMBLE helix_ala EULER   12.398   10.754  174.381 RF   13.4 RFZ  4.19

   SOLU TRIAL ENSEMBLE helix_ala EULER  341.909   13.205   94.952 RF   13.3 RFZ  4.15

   SOLU TRIAL ENSEMBLE helix_ala EULER   34.180    9.838  125.198 RF   13.1 RFZ  4.11

   SOLU TRIAL ENSEMBLE helix_ala EULER  322.708    9.654   86.767 RF   13.1 RFZ  4.09

   SOLU TRIAL ENSEMBLE helix_ala EULER  297.325    6.002   84.867 RF   12.8 RFZ  4.01

   SOLU TRIAL ENSEMBLE helix_ala EULER   15.701   13.308  116.273 RF   12.7 RFZ  3.98

   SOLU TRIAL ENSEMBLE helix_ala EULER  339.748    9.850   28.573 RF   12.6 RFZ  3.96

   SOLU TRIAL ENSEMBLE helix_ala EULER  348.137   11.615  157.104 RF   12.5 RFZ  3.94

   SOLU TRIAL ENSEMBLE helix_ala EULER  168.187    2.392   32.075 RF   12.5 RFZ  3.94

   SOLU TRIAL ENSEMBLE helix_ala EULER  215.674    4.086   53.340 RF   12.4 RFZ  3.90

   SOLU TRIAL ENSEMBLE helix_ala EULER  307.288    6.127   88.612 RF   12.4 RFZ  3.90

   SOLU TRIAL ENSEMBLE helix_ala EULER  316.857   12.870   78.639 RF   12.3 RFZ  3.88

   SOLU TRIAL ENSEMBLE helix_ala EULER    7.155   10.672  293.111 RF   12.2 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_ala EULER   40.930   13.123  132.415 RF   12.2 RFZ  3.87

   SOLU TRIAL ENSEMBLE helix_ala EULER  160.544    2.049   26.026 RF   12.2 RFZ  3.86

   SOLU TRIAL ENSEMBLE helix_ala EULER   47.817    6.302  125.152 RF   12.2 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_ala EULER  355.797   10.770  272.886 RF   12.2 RFZ  3.85

   SOLU TRIAL ENSEMBLE helix_ala EULER  332.681   11.337  282.365 RF   12.1 RFZ  3.84

   SOLU TRIAL ENSEMBLE helix_ala EULER  139.891    4.534  159.981 RF   12.1 RFZ  3.83

   SOLU TRIAL ENSEMBLE helix_ala EULER  325.132    9.004   15.598 RF   12.0 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_ala EULER   69.610    9.186  144.784 RF   12.0 RFZ  3.80

   SOLU TRIAL ENSEMBLE helix_ala EULER  287.186    5.809   81.299 RF   11.9 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_ala EULER  151.233    6.009  203.557 RF   11.9 RFZ  3.78

   SOLU TRIAL ENSEMBLE helix_ala EULER  287.621    8.835   66.849 RF   11.9 RFZ  3.77

   SOLU TRIAL ENSEMBLE helix_ala EULER  206.006    2.232  190.012 RF   11.9 RFZ  3.76

   SOLU TRIAL ENSEMBLE helix_ala EULER  169.928    3.579  171.298 RF   11.8 RFZ  3.75

   SOLU TRIAL ENSEMBLE helix_ala EULER   48.613    8.977  207.414 RF   11.8 RFZ  3.75

   SOLU TRIAL ENSEMBLE helix_ala EULER  115.051    9.071   71.133 RF   11.8 RFZ  3.73

   SOLU TRIAL ENSEMBLE helix_ala EULER   49.257   13.016  137.901 RF   11.8 RFZ  3.73

   SOLU TRIAL ENSEMBLE helix_ala EULER  354.482   11.636  319.239 RF   11.7 RFZ  3.72

   SOLU TRIAL ENSEMBLE helix_ala EULER  149.602    4.255  164.144 RF   11.7 RFZ  3.71

   SOLU TRIAL ENSEMBLE helix_ala EULER  337.378    6.389   99.642 RF   11.6 RFZ  3.70

   SOLU TRIAL ENSEMBLE helix_ala EULER  347.653    5.084  226.274 RF   11.6 RFZ  3.69

   SOLU TRIAL ENSEMBLE helix_ala EULER  217.853    3.048  109.695 RF   11.5 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_ala EULER  209.696    5.459    4.417 RF   11.5 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_ala EULER  131.641    3.048  109.695 RF   11.5 RFZ  3.66

   SOLU TRIAL ENSEMBLE helix_ala EULER  117.834    5.119  151.360 RF   11.4 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_ala EULER  152.519    1.677   20.361 RF   11.4 RFZ  3.64

   SOLU TRIAL ENSEMBLE helix_ala EULER  237.537    4.727   62.150 RF   11.4 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_ala EULER  354.747    3.048  109.695 RF   11.3 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_ala EULER   88.106    5.704  139.711 RF   11.3 RFZ  3.62

   SOLU TRIAL ENSEMBLE helix_ala EULER  342.180    5.447  218.030 RF   11.3 RFZ  3.59

   SOLU TRIAL ENSEMBLE helix_ala EULER   17.674    6.459  114.172 RF   11.2 RFZ  3.58

   SOLU TRIAL ENSEMBLE helix_ala EULER  107.688    5.371  147.630 RF   11.2 RFZ  3.57

   SOLU TRIAL ENSEMBLE helix_ala EULER  191.842    4.283  327.397 RF   11.1 RFZ  3.56

   SOLU TRIAL ENSEMBLE helix_ala EULER  159.185    9.883   95.721 RF   11.1 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_ala EULER  173.168    4.681  236.506 RF   11.1 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_ala EULER  341.057    3.048  109.695 RF   11.1 RFZ  3.55

   SOLU TRIAL ENSEMBLE helix_ala EULER  132.615    9.521   81.069 RF   11.0 RFZ  3.52

   SOLU TRIAL ENSEMBLE helix_ala EULER  227.401    1.130  209.679 RF   11.0 RFZ  3.52

   SOLU TRIAL ENSEMBLE helix_ala EULER  286.074    8.001  166.677 RF   11.0 RFZ  3.51

   SOLU TRIAL ENSEMBLE helix_ala EULER    5.582   11.900  335.780 RF   10.9 RFZ  3.50

   SOLU TRIAL ENSEMBLE helix_ala EULER  233.185    9.638  135.739 RF   10.9 RFZ  3.50

   SOLU TRIAL ENSEMBLE helix_ala EULER   57.633   12.724  143.340 RF   10.9 RFZ  3.50

   SOLU TRIAL ENSEMBLE helix_ala EULER  215.552    9.758  125.869 RF   10.9 RFZ  3.50

   SOLU TRIAL ENSEMBLE helix_ala EULER   27.756   13.089  242.653 RF   10.9 RFZ  3.50

   SOLU TRIAL ENSEMBLE helix_ala EULER  358.595   14.158  356.294 RF   10.9 RFZ  3.49

   SOLU TRIAL ENSEMBLE helix_ala EULER  223.326    9.270  200.791 RF   10.9 RFZ  3.49

   SOLU TRIAL ENSEMBLE helix_ala EULER    8.436    3.048  109.695 RF   10.9 RFZ  3.49

   SOLU TRIAL ENSEMBLE helix_ala EULER   27.736    6.430  117.817 RF   10.9 RFZ  3.49

   SOLU TRIAL ENSEMBLE helix_ala EULER   16.003    4.619  338.982 RF   10.8 RFZ  3.47

   SOLU TRIAL ENSEMBLE helix_ala EULER  221.781    1.497  201.613 RF   10.8 RFZ  3.47

   SOLU TRIAL ENSEMBLE helix_ala EULER   58.402    6.917   33.991 RF   10.8 RFZ  3.46

   SOLU TRIAL ENSEMBLE helix_ala EULER  300.157    7.445  176.336 RF   10.8 RFZ  3.46

   SOLU TRIAL ENSEMBLE helix_ala EULER  334.133   12.724  324.404 RF   10.8 RFZ  3.45

   SOLU TRIAL ENSEMBLE helix_ala EULER  322.975   12.391  307.078 RF   10.7 RFZ  3.45

   SOLU TRIAL ENSEMBLE helix_ala EULER  336.983   13.493  209.023 RF   10.7 RFZ  3.45

   SOLU TRIAL ENSEMBLE helix_ala EULER    2.091   14.689  211.940 RF   10.7 RFZ  3.44

   SOLU TRIAL ENSEMBLE helix_ala EULER  147.943    8.849  220.376 RF   10.7 RFZ  3.44

   SOLU TRIAL ENSEMBLE helix_ala EULER    7.196   16.794  111.045 RF   10.7 RFZ  3.43

   SOLU TRIAL ENSEMBLE helix_ala EULER  224.362    9.756  130.809 RF   10.6 RFZ  3.42

   SOLU TRIAL ENSEMBLE helix_ala EULER  320.501   15.892   32.973 RF   10.6 RFZ  3.41

   SOLU TRIAL ENSEMBLE helix_ala EULER  173.905    7.470  263.134 RF   10.6 RFZ  3.41

   SOLU TRIAL ENSEMBLE helix_ala EULER  326.584   16.531   82.459 RF   10.6 RFZ  3.40

   SOLU TRIAL ENSEMBLE helix_ala EULER  299.989    3.048  109.695 RF   10.5 RFZ  3.39

   SOLU TRIAL ENSEMBLE helix_ala EULER   25.077    5.196  357.343 RF   10.5 RFZ  3.39

   SOLU TRIAL ENSEMBLE helix_ala EULER   31.621   16.748  128.159 RF   10.5 RFZ  3.39

   SOLU TRIAL ENSEMBLE helix_ala EULER  350.879   16.739   99.696 RF   10.5 RFZ  3.39

   SOLU TRIAL ENSEMBLE helix_ala EULER  146.507    0.610  345.312 RF   10.5 RFZ  3.38

   SOLU TRIAL ENSEMBLE helix_ala EULER   39.383   12.616  259.518 RF   10.5 RFZ  3.37

   SOLU TRIAL ENSEMBLE helix_ala EULER  352.824    4.664  234.812 RF   10.5 RFZ  3.37

   SOLU TRIAL ENSEMBLE helix_ala EULER   31.965   15.850  225.069 RF   10.4 RFZ  3.36

   SOLU TRIAL ENSEMBLE helix_ala EULER  225.366    8.924    2.905 RF   10.4 RFZ  3.36

   SOLU TRIAL ENSEMBLE helix_ala EULER  322.679   11.361  264.741 RF   10.4 RFZ  3.35

   SOLU TRIAL ENSEMBLE helix_ala EULER  359.040   16.883  105.368 RF   10.4 RFZ  3.34

   SOLU TRIAL ENSEMBLE helix_ala EULER   43.823    6.301   19.955 RF   10.3 RFZ  3.33

   SOLU TRIAL ENSEMBLE helix_ala EULER  335.091   16.682   46.318 RF   10.3 RFZ  3.31

   SOLU TRIAL ENSEMBLE helix_ala EULER  190.196    7.286  301.697 RF   10.2 RFZ  3.31

   SOLU TRIAL ENSEMBLE helix_ala EULER  343.131   13.268  216.750 RF   10.2 RFZ  3.30

   SOLU TRIAL ENSEMBLE helix_ala EULER   71.938    7.512   44.191 RF   10.2 RFZ  3.30

   SOLU TRIAL ENSEMBLE helix_ala EULER    7.503    3.989  306.381 RF   10.2 RFZ  3.30

   SOLU TRIAL ENSEMBLE helix_ala EULER  201.129   10.360  181.497 RF   10.2 RFZ  3.29

   SOLU TRIAL ENSEMBLE helix_ala EULER  164.923   10.214   35.117 RF   10.1 RFZ  3.28

   SOLU TRIAL ENSEMBLE helix_ala EULER   31.164   16.731  170.220 RF   10.1 RFZ  3.28

   SOLU TRIAL ENSEMBLE helix_ala EULER  203.467    7.855  329.608 RF   10.1 RFZ  3.26

   SOLU TRIAL ENSEMBLE helix_ala EULER   49.504    3.048  109.695 RF   10.0 RFZ  3.25

   SOLU TRIAL ENSEMBLE helix_ala EULER   38.872   16.422  176.527 RF   10.0 RFZ  3.25

   SOLU TRIAL ENSEMBLE helix_ala EULER  194.360    7.423  311.252 RF   10.0 RFZ  3.25

   SOLU TRIAL ENSEMBLE helix_ala EULER   18.666   16.380  209.819 RF    9.9 RFZ  3.22

   SOLU TRIAL ENSEMBLE helix_ala EULER  355.710   16.825   12.723 RF    9.9 RFZ  3.22 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   19.503   15.560   17.281 RF    9.9 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER    1.987   17.158   20.417 RF    9.9 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  159.272    8.260  236.577 RF    9.9 RFZ  3.21 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  153.648    8.617  228.443 RF    9.8 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   44.047   13.965   21.222 RF    9.8 RFZ  3.19 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  290.196    7.223  325.481 RF    9.8 RFZ  3.18 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  340.398   16.117  191.712 RF    9.7 RFZ  3.17 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   50.320   11.717  318.869 RF    9.7 RFZ  3.16 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   45.577   12.689  351.466 RF    9.7 RFZ  3.15 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  270.100    6.848  276.462 RF    9.6 RFZ  3.12 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  358.463   17.458   64.847 RF    9.5 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   89.430    8.309   55.327 RF    9.5 RFZ  3.10 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  245.729    9.653   26.131 RF    9.4 RFZ  3.09 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  315.377   13.204  216.503 RF    9.4 RFZ  3.08 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  343.987   18.129  132.599 RF    9.3 RFZ  3.05 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  238.976    9.766   17.625 RF    9.2 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   23.146   20.144  122.975 RF    9.2 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  257.869    7.343  247.276 RF    9.2 RFZ  3.03 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  231.018   12.452   81.921 RF    9.2 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   14.410   17.873   77.824 RF    9.2 RFZ  3.02 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   89.895    6.838  278.721 RF    9.1 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  161.365   11.901  151.941 RF    9.1 RFZ  3.00 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   56.011   11.759  327.031 RF    9.1 RFZ  2.99 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  113.633   10.200  183.395 RF    9.1 RFZ  2.98 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   82.424    6.967  258.642 RF    9.0 RFZ  2.97 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  284.024   11.740   56.108 RF    8.9 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  330.100   18.324  122.494 RF    8.9 RFZ  2.94 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  298.996   12.717  124.962 RF    8.9 RFZ  2.93 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  109.648   12.708  118.316 RF    8.8 RFZ  2.92 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   46.558   15.850  182.901 RF    8.8 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  343.244   20.046   93.353 RF    8.8 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   15.168   20.160  117.037 RF    8.8 RFZ  2.91 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  273.671   12.887  108.687 RF    8.8 RFZ  2.90 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  180.312   10.742   47.348 RF    8.7 RFZ  2.89 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   40.305   16.025   39.867 RF    8.6 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   71.640   11.774   25.620 RF    8.6 RFZ  2.85 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  176.533   10.786  274.197 RF    8.5 RFZ  2.83 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  287.854   12.322  183.773 RF    8.4 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  335.166   18.625  168.651 RF    8.4 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   99.975   10.807  172.397 RF    8.4 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  318.853   16.531  169.839 RF    8.4 RFZ  2.80 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  280.433   12.667  177.452 RF    8.4 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   78.791   12.134   32.204 RF    8.4 RFZ  2.79 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  301.670   12.684  272.079 RF    8.3 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   28.198   18.158   88.021 RF    8.3 RFZ  2.77 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  181.487   10.815  282.989 RF    8.2 RFZ  2.74 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  258.853   10.292   37.654 RF    8.2 RFZ  2.73 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   65.052   13.016   15.219 RF    8.1 RFZ  2.72 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   60.833   12.576  294.376 RF    8.1 RFZ  2.72 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER    9.941   23.263  177.401 RF    8.1 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER    5.950   24.379  140.015 RF    8.1 RFZ  2.71 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  186.425   10.701  291.795 RF    8.0 RFZ  2.68 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   92.809   12.891  107.480 RF    8.0 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  348.437   18.053  266.274 RF    7.9 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   15.021   27.009  117.522 RF    7.9 RFZ  2.67 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   45.389   18.436   99.771 RF    7.9 RFZ  2.66 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   12.297   23.603   52.363 RF    7.9 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  355.948   21.004  176.679 RF    7.9 RFZ  2.65 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  160.758   11.447  248.688 RF    7.8 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  294.916   13.573  193.710 RF    7.8 RFZ  2.63 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   39.054   19.985  134.959 RF    7.7 RFZ  2.61 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER   16.733   22.829  184.792 RF    7.7 RFZ  2.60 # DEEP

   SOLU TRIAL ENSEMBLE helix_ala EULER  157.393   16.382   69.617 RF    7.6 RFZ  2.59 # DEEP

   Scoring 656 randomly sampled orientations and translations
   Spreading calculation onto 23 threads.
   Generating Statistics for TF SET #1 of 1
   0%       100%
   |=========| DONE

   Mean Score (Sigma):       9.05   ( 2.14)

   SET #1 of 1 TRIAL #101 of 164 (TRIAL #1 of 64 deep)
   ---------------------------------------------------
   Ensemble helix_ala Euler 355.71  16.83  12.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.938 -0.000  0.916     18.806  5.03
   2      0.907  0.000  0.860     18.359  4.75

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #101 of 164 (TRIAL #1 of 64 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.938 -0.000  0.916     16.757  5.03   0.0      1     18.806/    18.806
   2      0.907  0.000  0.860     16.268  4.75   2.8      1     18.359/    18.359

   SET #1 of 1 TRIAL #102 of 164 (TRIAL #2 of 64 deep)
   ---------------------------------------------------
   Ensemble helix_ala Euler  19.50  15.56  17.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.919  0.000  0.870     18.822  5.68

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #102 of 164 (TRIAL #2 of 64 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.919  0.000  0.870     17.057  5.68   0.0      1     18.822/    18.822

   SET #1 of 1 TRIAL #103 of 164 (TRIAL #3 of 64 deep)
   ---------------------------------------------------
   Ensemble helix_ala Euler   1.99  17.16  20.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.914 -0.000  0.872     19.064  5.31

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #103 of 164 (TRIAL #3 of 64 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.914 -0.000  0.872     17.033  5.31   0.0      1     19.064/    19.064

   SET #1 of 1 TRIAL #104 of 164 (TRIAL #4 of 64 deep)
   ---------------------------------------------------
   Ensemble helix_ala Euler 159.27   8.26 236.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.407  0.000  0.252     18.716  5.21
   2      0.931 -0.000  0.808     18.202  4.88

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #104 of 164 (TRIAL #4 of 64 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.407  0.000  0.252     16.370  5.21   0.0      1     18.716/    18.716
   2      0.931 -0.000  0.808     15.967  4.88  28.9      1     18.202/    18.202

   SET #1 of 1 TRIAL #105 of 164 (TRIAL #5 of 64 deep)
   ---------------------------------------------------
   Ensemble helix_ala Euler 153.65   8.62 228.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.954  0.000  0.864     18.356  5.17
   2      0.931  0.000  0.808     18.189  5.07

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #105 of 164 (TRIAL #5 of 64 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.954  0.000  0.864     16.393  5.17   0.0      1     18.356/    18.356
   2      0.931  0.000  0.808     15.996  5.07   2.7      1     18.189/    18.189

   SET #1 of 1 TRIAL #106 of 164 (TRIAL #6 of 64 deep)
   ---------------------------------------------------
   Ensemble helix_ala Euler  44.05  13.96  21.22 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #107 of 164 (TRIAL #7 of 64 deep)
   ---------------------------------------------------
   Ensemble helix_ala Euler 290.20   7.22 325.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #108 of 164 (TRIAL #8 of 64 deep)
   ---------------------------------------------------
   Ensemble helix_ala Euler 340.40  16.12 191.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #109 of 164 (TRIAL #9 of 64 deep)
   ---------------------------------------------------
   Ensemble helix_ala Euler  50.32  11.72 318.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #110 of 164 (TRIAL #10 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler  45.58  12.69 351.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #111 of 164 (TRIAL #11 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler 270.10   6.85 276.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #112 of 164 (TRIAL #12 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler 358.46  17.46  64.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.891  0.000  0.827     19.018  5.41
   2      0.922 -0.000  0.883     18.606  5.17

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #112 of 164 (TRIAL #12 of 64 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.891  0.000  0.827     16.651  5.41   0.0      1     19.018/    19.018
   2      0.922 -0.000  0.883     16.450  5.17   2.8      1     18.606/    18.606

   SET #1 of 1 TRIAL #113 of 164 (TRIAL #13 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler  89.43   8.31  55.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.939 -0.000  0.853     18.271  5.17

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #113 of 164 (TRIAL #13 of 64 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.939 -0.000  0.853     16.446  5.17   0.0      1     18.271/    18.271

   SET #1 of 1 TRIAL #114 of 164 (TRIAL #14 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler 245.73   9.65  26.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #115 of 164 (TRIAL #15 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler 315.38  13.20 216.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #116 of 164 (TRIAL #16 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler 343.99  18.13 132.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #117 of 164 (TRIAL #17 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler 238.98   9.77  17.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #118 of 164 (TRIAL #18 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler  23.15  20.14 122.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #119 of 164 (TRIAL #19 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler 257.87   7.34 247.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #120 of 164 (TRIAL #20 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler 231.02  12.45  81.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #121 of 164 (TRIAL #21 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler  14.41  17.87  77.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #122 of 164 (TRIAL #22 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler  89.90   6.84 278.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.391 -0.000  0.241     17.977  5.44

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #122 of 164 (TRIAL #22 of 64 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.391 -0.000  0.241     16.363  5.44   0.0      1     17.977/    17.977

   SET #1 of 1 TRIAL #123 of 164 (TRIAL #23 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler 161.37  11.90 151.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #124 of 164 (TRIAL #24 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler  56.01  11.76 327.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #125 of 164 (TRIAL #25 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler 113.63  10.20 183.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #126 of 164 (TRIAL #26 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler  82.42   6.97 258.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #127 of 164 (TRIAL #27 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler 284.02  11.74  56.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #128 of 164 (TRIAL #28 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler 330.10  18.32 122.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #129 of 164 (TRIAL #29 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler 299.00  12.72 124.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #130 of 164 (TRIAL #30 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler 109.65  12.71 118.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #131 of 164 (TRIAL #31 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler  46.56  15.85 182.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #132 of 164 (TRIAL #32 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler 343.24  20.05  93.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #133 of 164 (TRIAL #33 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler  15.17  20.16 117.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #134 of 164 (TRIAL #34 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler 273.67  12.89 108.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #135 of 164 (TRIAL #35 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler 180.31  10.74  47.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.384 -0.000  0.199     20.106  6.61

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #135 of 164 (TRIAL #35 of 64 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.384 -0.000  0.199     18.094  6.61   0.0      1     20.106/    20.106

   SET #1 of 1 TRIAL #136 of 164 (TRIAL #36 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler  40.31  16.03  39.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #137 of 164 (TRIAL #37 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler  71.64  11.77  25.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #138 of 164 (TRIAL #38 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler 176.53  10.79 274.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.970 -0.000  0.887     17.892  5.35

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #138 of 164 (TRIAL #38 of 64 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.970 -0.000  0.887     15.833  5.35   0.0      1     17.892/    17.892

   SET #1 of 1 TRIAL #139 of 164 (TRIAL #39 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler 287.85  12.32 183.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #140 of 164 (TRIAL #40 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler 335.17  18.63 168.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #141 of 164 (TRIAL #41 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler  99.97  10.81 172.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #142 of 164 (TRIAL #42 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler 318.85  16.53 169.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #143 of 164 (TRIAL #43 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler 280.43  12.67 177.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #144 of 164 (TRIAL #44 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler  78.79  12.13  32.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #145 of 164 (TRIAL #45 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler 301.67  12.68 272.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #146 of 164 (TRIAL #46 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler  28.20  18.16  88.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #147 of 164 (TRIAL #47 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler 181.49  10.81 282.99 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.392  0.000  0.221     17.922  5.47
   2      0.946  0.000  0.832     17.864  5.44

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 23 threads.
   Calculating Likelihood for TF SET #1 of 1 TRIAL #147 of 164 (TRIAL #47 of 64 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.392  0.000  0.221     15.672  5.47   0.0      1     17.922/    17.922
   2      0.946  0.000  0.832     15.413  5.44  29.2      1     17.864/    17.864

   SET #1 of 1 TRIAL #148 of 164 (TRIAL #48 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler 258.85  10.29  37.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #149 of 164 (TRIAL #49 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler  65.05  13.02  15.22 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #150 of 164 (TRIAL #50 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler  60.83  12.58 294.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #151 of 164 (TRIAL #51 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler   9.94  23.26 177.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #152 of 164 (TRIAL #52 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler   5.95  24.38 140.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #153 of 164 (TRIAL #53 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler 186.42  10.70 291.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #154 of 164 (TRIAL #54 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler  92.81  12.89 107.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #155 of 164 (TRIAL #55 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler 348.44  18.05 266.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #156 of 164 (TRIAL #56 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler  15.02  27.01 117.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #157 of 164 (TRIAL #57 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler  45.39  18.44  99.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #158 of 164 (TRIAL #58 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler  12.30  23.60  52.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #159 of 164 (TRIAL #59 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler 355.95  21.00 176.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #160 of 164 (TRIAL #60 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler 160.76  11.45 248.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #161 of 164 (TRIAL #61 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler 294.92  13.57 193.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #162 of 164 (TRIAL #62 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler  39.05  19.98 134.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #163 of 164 (TRIAL #63 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler  16.73  22.83 184.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 1 TRIAL #164 of 164 (TRIAL #64 of 64 deep)
   ----------------------------------------------------
   Ensemble helix_ala Euler 157.39  16.38  69.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Packing Fast Translation Function FSS = 21.93 (TFZ=5.0)
   Current Top (ML) Packing Translation Function LLG = 19.71 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring


------------------------------------------------------------------------------------------
Advisory: The top solution from a FTF did not pack
------------------------------------------------------------------------------------------



------------------------------------------------------------------------------------------
Advisory: The top solution from a TF rescoring did not pack
------------------------------------------------------------------------------------------



   Translation Function Results
   Top1: ENSEMBLE helix_ala EULER 15.701 13.308 116.273 FRAC 0.938 -0.000 0.901 TF=19.7


   Translation Function Table
   --------------------------
   SET ROT*deep   Top   (Z)     Second   (Z)      Third   (Z) SpaceGroup  Ensemble
     1   1       19.1  3.97       18.5  3.52       18.3  3.48 C 1 2 1  helix_al   
     1   2       18.0  3.37       17.8  3.34       17.8  3.36 C 1 2 1  helix_al   
     1   3       17.9  3.63       17.6  3.43       17.5  3.40 C 1 2 1  helix_al   
     1   4       18.1  3.55       18.0  3.75       18.0  3.65 C 1 2 1  helix_al   
     1   5       18.5  4.04       17.9  3.48       17.8  3.45 C 1 2 1  helix_al   
     1   6       18.4  4.15       17.8  3.65       16.9  3.21 C 1 2 1  helix_al   
     1   7       19.7  4.99       19.2  4.78       17.2  3.47 C 1 2 1  helix_al   
     1   8       19.2  4.71       19.0  4.69       18.3  4.09 C 1 2 1  helix_al   
     1   9       18.4  4.49       17.9  3.92       17.8  3.94 C 1 2 1  helix_al   
     1  10       19.4  4.71       18.5  4.34       17.3  3.51 C 1 2 1  helix_al   
     1  11       19.0  4.73       18.8  4.41       18.7  4.57 C 1 2 1  helix_al   
     1  12       18.9  4.79       18.4  4.25       18.1  4.17 C 1 2 1  helix_al   
     1  13       19.5  5.47       18.6  4.71       17.2  3.92 C 1 2 1  helix_al   
     1  14       19.7  5.02       18.2  4.43       18.1  4.10 C 1 2 1  helix_al   
     1  15       19.3  5.31       18.7  4.91          -     - C 1 2 1  helix_al   
     1  16       19.2  4.87       19.0  4.96       18.9  4.91 C 1 2 1  helix_al   
     1  17       19.0  4.92       19.0  4.77       18.8  4.44 C 1 2 1  helix_al   
     1  18       19.3  4.88       18.9  4.71       18.8  4.74 C 1 2 1  helix_al   
     1  19       19.3  5.42       18.8  5.22       18.7  4.92 C 1 2 1  helix_al   
     1  20       19.2  5.08       18.5  4.50       18.2  4.33 C 1 2 1  helix_al   
     1  21       19.1  5.04       19.1  5.05       18.4  4.68 C 1 2 1  helix_al   
     1  22       19.6  5.53          -     -          -     - C 1 2 1  helix_al   
     1  23       19.1  4.92       19.1  4.96       18.2  4.57 C 1 2 1  helix_al   
     1  24       19.2  5.29       18.8  4.90       18.3  4.91 C 1 2 1  helix_al   
     1  25       19.0  5.44       17.8  4.52       17.1  4.04 C 1 2 1  helix_al   
     1  26       19.0  5.19       18.6  4.69       18.2  4.47 C 1 2 1  helix_al   
     1  27       18.7  4.81       17.5  4.32       17.3  3.99 C 1 2 1  helix_al   
     1  28       18.2  4.67       18.0  4.75       17.7  4.38 C 1 2 1  helix_al   
     1  29       19.2  5.59       18.7  5.51       17.3  4.52 C 1 2 1  helix_al   
     1  30       18.7  5.43       17.9  5.00          -     - C 1 2 1  helix_al   
     1  31       19.5  5.36       19.3  5.16       18.7  5.12 C 1 2 1  helix_al   
     1  32       19.2  5.34       18.3  4.89       18.2  4.72 C 1 2 1  helix_al   
     1  33       18.7  4.80       18.6  4.83       18.5  4.98 C 1 2 1  helix_al   
     1  34       19.2  5.18       18.1  4.40       18.1  4.41 C 1 2 1  helix_al   
     1  35       19.0  5.17       18.5  4.66       17.3  4.16 C 1 2 1  helix_al   
     1  36       18.2  4.86       17.8  4.76       17.4  4.57 C 1 2 1  helix_al   
     1  37       18.6  4.81       18.1  4.60       17.8  4.52 C 1 2 1  helix_al   
     1  38       19.5  5.83       18.1  4.82       17.4  4.63 C 1 2 1  helix_al   
     1  39       18.8  5.10       18.7  5.12       18.4  5.07 C 1 2 1  helix_al   
     1  40       19.1  5.50       18.3  5.12       17.8  4.64 C 1 2 1  helix_al   
     1  41       18.5  4.58       18.0  4.37       17.6  4.14 C 1 2 1  helix_al   
     1  42       18.8  5.25       17.8  4.49       16.8  4.08 C 1 2 1  helix_al   
     1  43       18.5  4.98       17.7  4.55       17.5  4.54 C 1 2 1  helix_al   
     1  44       19.0  5.36       18.4  5.05       18.2  4.84 C 1 2 1  helix_al   
     1  45       18.5  5.26       17.8  4.74       17.3  4.52 C 1 2 1  helix_al   
     1  46       18.4  5.15       17.0  4.37       16.5  3.95 C 1 2 1  helix_al   
     1  47       18.1  5.17       17.3  4.70       17.1  4.69 C 1 2 1  helix_al   
     1  48       17.8  4.83       17.5  4.60       17.2  4.53 C 1 2 1  helix_al   
     1  49       18.6  4.97       18.3  4.89       18.0  4.66 C 1 2 1  helix_al   
     1  50       18.6  5.98       18.4  5.78       17.8  5.17 C 1 2 1  helix_al   
     1  51       18.2  4.97       17.9  4.81       17.7  4.69 C 1 2 1  helix_al   
     1  52       18.5  5.75       18.1  5.33       17.0  4.58 C 1 2 1  helix_al   
     1  53       18.5  5.32       17.3  4.54       16.6  4.38 C 1 2 1  helix_al   
     1  54       18.5  5.78       18.0  5.51       17.1  4.79 C 1 2 1  helix_al   
     1  55       16.8  4.86       16.8  4.76          -     - C 1 2 1  helix_al   
     1  56       18.3  5.20       16.7  4.31          -     - C 1 2 1  helix_al   
     1  57       18.0  5.39       17.0  4.59       17.0  4.78 C 1 2 1  helix_al   
     1  58       19.0  5.67       18.8  5.49       17.5  4.81 C 1 2 1  helix_al   
     1  59       17.0  4.88       16.8  4.46       16.6  4.36 C 1 2 1  helix_al   
     1  60       18.2  4.99       17.7  4.78       17.1  4.33 C 1 2 1  helix_al   
     1  61       18.6  5.16       17.7  4.80       16.7  4.02 C 1 2 1  helix_al   
     1  62       18.3  4.95       17.8  4.88       17.3  4.58 C 1 2 1  helix_al   
     1  63       17.9  5.05       17.5  4.65       17.4  4.54 C 1 2 1  helix_al   
     1  64       17.6  4.91       17.3  4.86       16.9  4.50 C 1 2 1  helix_al   
     1  65       18.8  5.76       17.6  5.05       17.4  4.73 C 1 2 1  helix_al   
     1  66       18.1  5.49       17.2  4.91       16.5  4.57 C 1 2 1  helix_al   
     1  67       17.0  5.07       16.8  4.84          -     - C 1 2 1  helix_al   
     1  68          -     -          -     -          -     - C 1 2 1  helix_al   
     1  69       18.3  5.39       17.4  5.05       17.2  4.73 C 1 2 1  helix_al   
     1  70       17.1  5.09       17.0  5.06          -     - C 1 2 1  helix_al   
     1  71       16.9  4.89          -     -          -     - C 1 2 1  helix_al   
     1  72       18.3  5.85       17.3  5.26       16.8  4.68 C 1 2 1  helix_al   
     1  73       17.3  5.53          -     -          -     - C 1 2 1  helix_al   
     1  74       17.6  5.05       17.2  4.76       17.0  4.82 C 1 2 1  helix_al   
     1  75       17.5  5.59          -     -          -     - C 1 2 1  helix_al   
     1  76       17.7  4.83       17.7  4.96       17.2  4.60 C 1 2 1  helix_al   
     1  77       18.0  5.18       16.7  4.56       16.7  4.44 C 1 2 1  helix_al   
     1  78          -     -          -     -          -     - C 1 2 1  helix_al   
     1  79       17.6  5.43       17.3  5.09          -     - C 1 2 1  helix_al   
     1  80       18.5  5.37       17.7  4.95       17.6  5.03 C 1 2 1  helix_al   
     1  81          -     -          -     -          -     - C 1 2 1  helix_al   
     1  82       17.2  4.66       16.5  4.20          -     - C 1 2 1  helix_al   
     1  83          -     -          -     -          -     - C 1 2 1  helix_al   
     1  84          -     -          -     -          -     - C 1 2 1  helix_al   
     1  85       17.0  5.14          -     -          -     - C 1 2 1  helix_al   
     1  86       17.5  5.29       16.4  4.44       16.3  4.42 C 1 2 1  helix_al   
     1  87       16.9  4.75       16.6  4.56       16.0  4.51 C 1 2 1  helix_al   
     1  88       17.1  5.55       16.9  5.41       16.6  5.13 C 1 2 1  helix_al   
     1  89       17.5  5.20       17.1  5.01       16.9  4.98 C 1 2 1  helix_al   
     1  90       16.8  5.19       16.6  5.11       16.3  4.97 C 1 2 1  helix_al   
     1  91       16.7  4.82          -     -          -     - C 1 2 1  helix_al   
     1  92       17.7  5.09       17.6  5.01       17.3  4.69 C 1 2 1  helix_al   
     1  93       17.7  5.68       16.0  4.82          -     - C 1 2 1  helix_al   
     1  94       17.7  5.56          -     -          -     - C 1 2 1  helix_al   
     1  95          -     -          -     -          -     - C 1 2 1  helix_al   
     1  96       16.7  5.27       16.6  5.03       16.5  4.81 C 1 2 1  helix_al   
     1  97       17.3  5.00       17.1  4.74       17.0  4.70 C 1 2 1  helix_al   
     1  98          -     -          -     -          -     - C 1 2 1  helix_al   
     1  99       16.3  4.67       16.1  4.65          -     - C 1 2 1  helix_al   
     1 100          -     -          -     -          -     - C 1 2 1  helix_al   
     1 101*      16.8  5.03       16.3  4.75          -     - C 1 2 1  helix_al   
     1 102*      17.1  5.68          -     -          -     - C 1 2 1  helix_al   
     1 103*      17.0  5.31          -     -          -     - C 1 2 1  helix_al   
     1 104*      16.4  5.21       16.0  4.88          -     - C 1 2 1  helix_al   
     1 105*      16.4  5.17       16.0  5.07          -     - C 1 2 1  helix_al   
     1 106*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 107*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 108*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 109*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 110*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 111*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 112*      16.7  5.41       16.4  5.17          -     - C 1 2 1  helix_al   
     1 113*      16.4  5.17          -     -          -     - C 1 2 1  helix_al   
     1 114*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 115*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 116*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 117*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 118*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 119*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 120*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 121*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 122*      16.4  5.44          -     -          -     - C 1 2 1  helix_al   
     1 123*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 124*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 125*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 126*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 127*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 128*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 129*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 130*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 131*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 132*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 133*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 134*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 135*      18.1  6.61          -     -          -     - C 1 2 1  helix_al   
     1 136*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 137*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 138*      15.8  5.35          -     -          -     - C 1 2 1  helix_al   
     1 139*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 140*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 141*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 142*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 143*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 144*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 145*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 146*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 147*      15.7  5.47       15.4  5.44          -     - C 1 2 1  helix_al   
     1 148*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 149*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 150*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 151*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 152*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 153*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 154*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 155*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 156*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 157*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 158*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 159*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 160*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 161*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 162*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 163*         -     -          -     -          -     - C 1 2 1  helix_al   
     1 164*         -     -          -     -          -     - C 1 2 1  helix_al   
   --- ---

---------------
FINAL SELECTION
---------------

   LLG will be used for purge, not FSS
   Top TF  = 19.71
   Top TFZ = 6.61
   Mean TF = 9.05
   Percent used for purge = 75%
   Cutoff for acceptance = 17.0
      TFZ used for final selection = 8
         Number of solutions over TF final cutoff  = 276
         Number of solutions over TFZ final cutoff = 0
         Number of solutions over TF & TFZ cutoff  = 0
   Number of solutions stored before final selection = 402
   Number of solutions stored (deleted) after final selection = 276 (126)


$TABLE : Translation Function Component #1 (helix_ala):
$GRAPHS 
:TF Number vs LL-gain:AUTO:1,2: :TF Number vs Z-Score:AUTO:1,3: 
$$
Number LLG Z-Score
$$ loggraph $$
1      19.71  4.99
2      19.66  5.02
3      19.60  5.53
4      19.49  5.47
5      19.47  5.36
6      19.47  5.83
7      19.40  4.71
8      19.32  5.42
9      19.30  5.31
10      19.27  4.88
11      19.25  5.16
12      19.23  4.87
13      19.21  4.71
14      19.20  5.34
15      19.20  5.18
16      19.19  5.29
17      19.19  4.78
18      19.19  5.08
19      19.16  5.59
20      19.13  3.97
21      19.12  5.04
22      19.09  4.92
23      19.07  5.05
24      19.06  4.96
25      19.06  5.50
26      19.05  4.73
27      19.05  5.44
28      19.04  5.19
29      19.04  5.17
30      19.04  4.92
31      19.03  4.96
32      19.02  5.36
33      18.99  4.69
34      18.98  5.67
35      18.96  4.77
36      18.93  4.79
37      18.92  4.71
38      18.88  4.91
39      18.84  4.44
40      18.80  5.49
41      18.79  5.76
42      18.77  5.25
43      18.77  4.74
44      18.76  5.22
45      18.76  4.41
46      18.76  5.10
47      18.75  4.90
48      18.73  4.80
49      18.72  4.91
50      18.71  5.12
51      18.71  4.57
52      18.70  5.51
53      18.69  4.92
54      18.68  4.81
55      18.68  5.12
56      18.67  5.43
57      18.64  5.98
58      18.63  5.16
59      18.62  4.71
60      18.59  4.81
61      18.57  4.69
62      18.56  4.83
63      18.56  4.97
64      18.55  4.50
65      18.54  5.32
66      18.54  5.26
67      18.52  4.34
68      18.51  4.46
69      18.51  4.98
70      18.50  4.98
71      18.49  5.75
72      18.48  4.58
73      18.47  5.78
74      18.46  5.37
75      18.46  3.52
76      18.45  4.04
77      18.45  4.66
78      18.44  4.49
79      18.43  5.78
80      18.41  4.25
81      18.41  5.05
82      18.40  4.15
83      18.40  5.07
84      18.39  5.15
85      18.38  4.68
86      18.33  5.85
87      18.32  4.89
88      18.30  4.91
89      18.28  5.20
90      18.28  5.39
91      18.28  3.48
92      18.26  4.09
93      18.26  4.95
94      18.26  5.12
95      18.26  4.89
96      18.25  4.64
97      18.25  4.43
98      18.24  4.42
99      18.24  4.72
100      18.23  4.84
101      18.22  4.99
102      18.21  4.97
103      18.19  4.67
104      18.19  4.86
105      18.18  4.33
106      18.17  4.57
107      18.17  4.47
108      18.16  3.41
109      18.14  4.40
110      18.13  5.49
111      18.12  4.60
112      18.10  4.82
113      18.10  5.17
114      18.10  4.65
115      18.09  6.61
116      18.08  4.10
117      18.08  3.55
118      18.07  5.33
119      18.07  4.41
120      18.05  4.17
121      18.04  3.75
122      18.04  4.37
123      18.04  3.65
124      18.04  5.51
125      18.03  3.29
126      18.02  4.75
127      18.00  4.65
128      18.00  3.59
129      18.00  4.23
130      18.00  4.44
131      18.00  5.18
132      17.99  3.63
133      17.98  3.37
134      17.96  5.39
135      17.96  4.66
136      17.94  5.05
137      17.91  5.00
138      17.90  3.49
139      17.90  4.06
140      17.88  3.48
141      17.87  3.63
142      17.87  4.81
143      17.87  3.92
144      17.87  4.61
145      17.84  4.83
146      17.83  4.76
147      17.83  4.57
148      17.83  4.52
149      17.82  3.94
150      17.81  3.45
151      17.81  3.34
152      17.80  3.47
153      17.79  4.52
154      17.79  5.17
155      17.77  3.36
156      17.77  4.26
157      17.76  4.88
158      17.76  4.74
159      17.76  3.65
160      17.76  4.49
161      17.75  4.64
162      17.74  3.14
163      17.72  5.09
164      17.72  4.69
165      17.71  4.38
166      17.71  4.95
167      17.70  3.89
168      17.70  4.55
169      17.70  5.68
170      17.69  4.78
171      17.68  4.83
172      17.68  4.96
173      17.67  5.56
174      17.66  4.80
175      17.65  5.05
176      17.64  3.43
177      17.64  3.43
178      17.62  4.19
179      17.61  5.05
180      17.61  3.99
181      17.60  4.14
182      17.58  3.40
183      17.58  5.01
184      17.57  5.43
185      17.57  4.91
186      17.57  3.31
187      17.57  5.03
188      17.55  3.40
189      17.55  4.65
190      17.54  4.60
191      17.54  3.68
192      17.53  4.32
193      17.53  5.29
194      17.53  2.99
195      17.53  3.88
196      17.51  5.20
197      17.51  5.59
198      17.49  3.03
199      17.49  4.12
200      17.48  4.73
201      17.47  3.97
202      17.46  4.81
203      17.45  4.54
204      17.45  3.18
205      17.44  5.05
206      17.44  4.63
207      17.42  3.09
208      17.37  4.73
209      17.37  3.24
210      17.36  4.57
211      17.35  4.54
212      17.34  3.90
213      17.34  4.70
214      17.34  4.86
215      17.33  5.53
216      17.33  5.09
217      17.33  4.52
218      17.33  4.54
219      17.31  5.00
220      17.31  4.58
221      17.31  3.64
222      17.31  4.43
223      17.30  4.52
224      17.29  3.51
225      17.29  4.75
226      17.28  3.68
227      17.27  4.69
228      17.27  4.34
229      17.27  5.26
230      17.27  4.16
231      17.26  3.99
232      17.25  4.03
233      17.24  3.92
234      17.24  4.26
235      17.24  3.99
236      17.24  4.60
237      17.23  3.95
238      17.23  3.22
239      17.22  4.73
240      17.21  4.91
241      17.21  4.53
242      17.20  4.01
243      17.20  4.14
244      17.19  4.28
245      17.19  4.56
246      17.19  4.76
247      17.19  3.61
248      17.19  4.66
249      17.18  3.47
250      17.17  3.63
251      17.17  4.27
252      17.16  3.91
253      17.16  3.90
254      17.15  3.84
255      17.15  3.44
256      17.15  4.69
257      17.15  5.55
258      17.14  4.33
259      17.14  3.18
260      17.13  3.98
261      17.12  3.11
262      17.10  5.09
263      17.10  4.74
264      17.09  5.01
265      17.09  4.23
266      17.08  4.79
267      17.07  3.02
268      17.07  4.04
269      17.07  3.25
270      17.06  3.57
271      17.06  3.38
272      17.06  4.10
273      17.06  4.44
274      17.06  5.68
275      17.05  3.10
276      17.05  4.59
$$

------------
OUTPUT FILES
------------

   No files output

CPU Time: 0 days 0 hrs 0 mins 35.73 secs (     35.73 secs)
Finished: Thu Sep 30 04:36:47 2021

******************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT PACKING ANALYSIS                        2.8.3 ***
******************************************************************************************


---------
ENSEMBLES
---------

   Trace Generation
   ----------------
   Ensemble        Trace-type  Length      Sampling Close-contact
   helix_ala       all-atom        70          1.50          1.00

-----------------
ENSEMBLE SYMMETRY
-----------------

   Ensemble "helix_ala" Point Group: 1

   Clash background has been packed at 10.00%

----------------
PACKING FUNCTION
----------------

   There are 276 solutions to pack
   Spreading calculation onto 23 threads.
   Packing analysis
   0%            100%
   |=============| DONE


   Packing Table
   -------------
   Solutions accepted if pairwise clashes less than 10 % of trace atoms
   #in  #out Clash-% Symm TF-SET  ROT TFpk#        TF    TFZ    SpaceGroup 
   1    ---  >11.43  --       1     7    1         19.71  4.99  C 1 2 1    
   2    ---  >11.43  --       1    14    1         19.66  5.02  C 1 2 1    
   3    ---  >11.43  --       1    22    1         19.60  5.53  C 1 2 1    
   4    ---  >11.43  --       1    13    1         19.49  5.47  C 1 2 1    
   5    ---  >11.43  --       1    31    1         19.47  5.36  C 1 2 1    
   6    ---  >11.43  --       1    38    1         19.47  5.83  C 1 2 1    
   7    ---  >11.43  --       1    10    1         19.40  4.71  C 1 2 1    
   8    ---  >11.43  --       1    19    1         19.32  5.42  C 1 2 1    
   9    ---  >11.43  --       1    15    1         19.30  5.31  C 1 2 1    
   10   ---  >11.43  --       1    18    1         19.27  4.88  C 1 2 1    
   11   ---  >11.43  --       1    31    2         19.25  5.16  C 1 2 1    
   12   ---  >11.43  --       1    16    1         19.23  4.87  C 1 2 1    
   13   ---  >11.43  --       1     8    1         19.21  4.71  C 1 2 1    
   14   ---  >11.43  --       1    32    1         19.20  5.34  C 1 2 1    
   15   ---  >11.43  --       1    34    1         19.20  5.18  C 1 2 1    
   16   ---  >11.43  --       1    24    1         19.19  5.29  C 1 2 1    
   17   ---  >11.43  --       1     7    2         19.19  4.78  C 1 2 1    
   18   ---  >11.43  --       1    20    1         19.19  5.08  C 1 2 1    
   19   ---  >11.43  --       1    29    1         19.16  5.59  C 1 2 1    
   20   Top1  0      --       1     1    1         19.13  3.97  C 1 2 1    
   21   ---  >11.43  --       1    21    1         19.12  5.04  C 1 2 1    
   22   ---  >11.43  --       1    23    1         19.09  4.92  C 1 2 1    
   23   ---  >11.43  --       1    21    2         19.07  5.05  C 1 2 1    
   24   ---  >11.43  --       1    23    2         19.06  4.96  C 1 2 1    
   25   ---  >11.43  --       1    40    1         19.06  5.50  C 1 2 1    
   26   ---  >11.43  --       1    11    1         19.05  4.73  C 1 2 1    
   27   ---  >11.43  --       1    25    1         19.05  5.44  C 1 2 1    
   28   ---  >11.43  --       1    26    1         19.04  5.19  C 1 2 1    
   29   ---  >11.43  --       1    35    1         19.04  5.17  C 1 2 1    
   30   ---  >11.43  --       1    17    1         19.04  4.92  C 1 2 1    
   31   ---  >11.43  --       1    16    2         19.03  4.96  C 1 2 1    
   32   ---  >11.43  --       1    44    1         19.02  5.36  C 1 2 1    
   33   ---  >11.43  --       1     8    2         18.99  4.69  C 1 2 1    
   34   ---  >11.43  --       1    58    1         18.98  5.67  C 1 2 1    
   35   ---  >11.43  --       1    17    2         18.96  4.77  C 1 2 1    
   36   ---  >11.43  --       1    12    1         18.93  4.79  C 1 2 1    
   37   ---  >11.43  --       1    18    2         18.92  4.71  C 1 2 1    
   38   ---  >11.43  --       1    16    3         18.88  4.91  C 1 2 1    
   39   ---  >11.43  --       1    17    3         18.84  4.44  C 1 2 1    
   40   ---  >11.43  --       1    58    2         18.80  5.49  C 1 2 1    
   41   ---  >11.43  --       1    65    1         18.79  5.76  C 1 2 1    
   42   ---  >11.43  --       1    42    1         18.77  5.25  C 1 2 1    
   43   ---  >11.43  --       1    18    3         18.77  4.74  C 1 2 1    
   44   ---  >11.43  --       1    19    2         18.76  5.22  C 1 2 1    
   45   ---  >11.43  --       1    11    2         18.76  4.41  C 1 2 1    
   46   ---  >11.43  --       1    39    1         18.76  5.10  C 1 2 1    
   47   ---  >11.43  --       1    24    2         18.75  4.90  C 1 2 1    
   48   ---  >11.43  --       1    33    1         18.73  4.80  C 1 2 1    
   49   ---  >11.43  --       1    15    2         18.72  4.91  C 1 2 1    
   50   ---  >11.43  --       1    39    2         18.71  5.12  C 1 2 1    
   51   ---  >11.43  --       1    11    3         18.71  4.57  C 1 2 1    
   52   ---  >11.43  --       1    29    2         18.70  5.51  C 1 2 1    
   53   ---  >11.43  --       1    19    3         18.69  4.92  C 1 2 1    
   54   ---  >11.43  --       1    27    1         18.68  4.81  C 1 2 1    
   55   ---  >11.43  --       1    31    3         18.68  5.12  C 1 2 1    
   56   ---  >11.43  --       1    30    1         18.67  5.43  C 1 2 1    
   57   ---  >11.43  --       1    50    1         18.64  5.98  C 1 2 1    
   58   ---  >11.43  --       1    61    1         18.63  5.16  C 1 2 1    
   59   ---  >11.43  --       1    13    2         18.62  4.71  C 1 2 1    
   60   ---  >11.43  --       1    37    1         18.59  4.81  C 1 2 1    
   61   ---  >11.43  --       1    26    2         18.57  4.69  C 1 2 1    
   62   ---  >11.43  --       1    33    2         18.56  4.83  C 1 2 1    
   63   ---  >11.43  --       1    49    1         18.56  4.97  C 1 2 1    
   64   ---  >11.43  --       1    20    2         18.55  4.50  C 1 2 1    
   65   ---  >11.43  --       1    53    1         18.54  5.32  C 1 2 1    
   66   ---  >11.43  --       1    45    1         18.54  5.26  C 1 2 1    
   67   ---  >11.43  --       1    10    2         18.52  4.34  C 1 2 1    
   68   ---  >11.43  --       1    16    4         18.51  4.46  C 1 2 1    
   69   ---  >11.43  --       1    33    3         18.51  4.98  C 1 2 1    
   70   ---  >11.43  --       1    43    1         18.50  4.98  C 1 2 1    
   71   ---  >11.43  --       1    52    1         18.49  5.75  C 1 2 1    
   72   ---  >11.43  --       1    41    1         18.48  4.58  C 1 2 1    
   73   ---  >11.43  --       1    54    1         18.47  5.78  C 1 2 1    
   74   ---  >11.43  --       1    80    1         18.46  5.37  C 1 2 1    
   75   ---  >11.43  --       1     1    2         18.46  3.52  C 1 2 1    
   76   ---  >11.43  --       1     5    1         18.45  4.04  C 1 2 1    
   77   ---  >11.43  --       1    35    2         18.45  4.66  C 1 2 1    
   78   ---  >11.43  --       1     9    1         18.44  4.49  C 1 2 1    
   79   ---  >11.43  --       1    50    2         18.43  5.78  C 1 2 1    
   80   ---  >11.43  --       1    12    2         18.41  4.25  C 1 2 1    
   81   ---  >11.43  --       1    44    2         18.41  5.05  C 1 2 1    
   82   ---  >11.43  --       1     6    1         18.40  4.15  C 1 2 1    
   83   ---  >11.43  --       1    39    3         18.40  5.07  C 1 2 1    
   84   ---  >11.43  --       1    46    1         18.39  5.15  C 1 2 1    
   85   ---  >11.43  --       1    21    3         18.38  4.68  C 1 2 1    
   86   ---  >11.43  --       1    72    1         18.33  5.85  C 1 2 1    
   87   ---  >11.43  --       1    49    2         18.32  4.89  C 1 2 1    
   88   ---  >11.43  --       1    24    3         18.30  4.91  C 1 2 1    
   89   ---  >11.43  --       1    56    1         18.28  5.20  C 1 2 1    
   90   ---  >11.43  --       1    69    1         18.28  5.39  C 1 2 1    
   91   2     0      --       1     1    3         18.28  3.48  C 1 2 1    
   92   ---  >11.43  --       1     8    3         18.26  4.09  C 1 2 1    
   93   ---  >11.43  --       1    62    1         18.26  4.95  C 1 2 1    
   94   ---  >11.43  --       1    40    2         18.26  5.12  C 1 2 1    
   95   ---  >11.43  --       1    32    2         18.26  4.89  C 1 2 1    
   96   3     0      --       1    19    4         18.25  4.64  C 1 2 1    
   97   ---  >11.43  --       1    14    2         18.25  4.43  C 1 2 1    
   98   ---  >11.43  --       1    21    4         18.24  4.42  C 1 2 1    
   99   ---  >11.43  --       1    32    3         18.24  4.72  C 1 2 1    
   100  ---  >11.43  --       1    44    3         18.23  4.84  C 1 2 1    
   101  ---  >11.43  --       1    60    1         18.22  4.99  C 1 2 1    
   102  ---  >11.43  --       1    51    1         18.21  4.97  C 1 2 1    
   103  ---  >11.43  --       1    28    1         18.19  4.67  C 1 2 1    
   104  ---  >11.43  --       1    36    1         18.19  4.86  C 1 2 1    
   105  ---  >11.43  --       1    20    3         18.18  4.33  C 1 2 1    
   106  ---  >11.43  --       1    23    3         18.17  4.57  C 1 2 1    
   107  ---  >11.43  --       1    26    3         18.17  4.47  C 1 2 1    
   108  4     0      --       1     1    4         18.16  3.41  C 1 2 1    
   109  ---  >11.43  --       1    34    2         18.14  4.40  C 1 2 1    
   110  ---  >11.43  --       1    66    1         18.13  5.49  C 1 2 1    
   111  ---  >11.43  --       1    37    2         18.12  4.60  C 1 2 1    
   112  ---  >11.43  --       1    38    2         18.10  4.82  C 1 2 1    
   113  ---  >11.43  --       1    47    1         18.10  5.17  C 1 2 1    
   114  ---  >11.43  --       1    31    4         18.10  4.65  C 1 2 1    
   115  ---  >11.43  --       1   135    1         18.09  6.61  C 1 2 1    
   116  ---  >11.43  --       1    14    3         18.08  4.10  C 1 2 1    
   117  ---  >11.43  --       1     4    1         18.08  3.55  C 1 2 1    
   118  ---  >11.43  --       1    52    2         18.07  5.33  C 1 2 1    
   119  ---  >11.43  --       1    34    3         18.07  4.41  C 1 2 1    
   120  ---  >11.43  --       1    12    3         18.05  4.17  C 1 2 1    
   121  5     0      --       1     4    2         18.04  3.75  C 1 2 1    
   122  ---  >11.43  --       1    41    2         18.04  4.37  C 1 2 1    
   123  6     0      --       1     4    3         18.04  3.65  C 1 2 1    
   124  ---  >11.43  --       1    54    2         18.04  5.51  C 1 2 1    
   125  ---  >11.43  --       1     1    5         18.03  3.29  C 1 2 1    
   126  ---  >11.43  --       1    28    2         18.02  4.75  C 1 2 1    
   127  ---  >11.43  --       1    34    4         18.00  4.65  C 1 2 1    
   128  ---  >11.43  --       1     4    4         18.00  3.59  C 1 2 1    
   129  ---  >11.43  --       1    20    4         18.00  4.23  C 1 2 1    
   130  ---  >11.43  --       1    32    4         18.00  4.44  C 1 2 1    
   131  ---  >11.43  --       1    77    1         18.00  5.18  C 1 2 1    
   132  7     0      --       1     1    6         17.99  3.63  C 1 2 1    
   133  ---  >11.43  --       1     2    1         17.98  3.37  C 1 2 1    
   134  ---  >11.43  --       1    57    1         17.96  5.39  C 1 2 1    
   135  ---  >11.43  --       1    49    3         17.96  4.66  C 1 2 1    
   136  ---  >11.43  --       1    63    1         17.94  5.05  C 1 2 1    
   137  ---  >11.43  --       1    30    2         17.91  5.00  C 1 2 1    
   138  8     0      --       1     4    5         17.90  3.49  C 1 2 1    
   139  ---  >11.43  --       1    16    5         17.90  4.06  C 1 2 1    
   140  9     0      --       1     5    2         17.88  3.48  C 1 2 1    
   141  10    0      --       1     3    1         17.87  3.63  C 1 2 1    
   142  ---  >11.43  --       1    51    2         17.87  4.81  C 1 2 1    
   143  ---  >11.43  --       1     9    2         17.87  3.92  C 1 2 1    
   144  ---  >11.43  --       1    19    5         17.87  4.61  C 1 2 1    
   145  ---  >11.43  --       1    48    1         17.84  4.83  C 1 2 1    
   146  ---  >11.43  --       1    36    2         17.83  4.76  C 1 2 1    
   147  ---  >11.43  --       1    49    4         17.83  4.57  C 1 2 1    
   148  ---  >11.43  --       1    25    2         17.83  4.52  C 1 2 1    
   149  ---  >11.43  --       1     9    3         17.82  3.94  C 1 2 1    
   150  ---  >11.43  --       1     5    3         17.81  3.45  C 1 2 1    
   151  11    0      --       1     2    2         17.81  3.34  C 1 2 1    
   152  ---  >11.43  --       1     5    4         17.80  3.47  C 1 2 1    
   153  ---  >11.43  --       1    37    3         17.79  4.52  C 1 2 1    
   154  ---  >11.43  --       1    50    3         17.79  5.17  C 1 2 1    
   155  12    0      --       1     2    3         17.77  3.36  C 1 2 1    
   156  ---  >11.43  --       1    14    4         17.77  4.26  C 1 2 1    
   157  ---  >11.43  --       1    62    2         17.76  4.88  C 1 2 1    
   158  ---  >11.43  --       1    45    2         17.76  4.74  C 1 2 1    
   159  ---  >11.43  --       1     6    2         17.76  3.65  C 1 2 1    
   160  ---  >11.43  --       1    42    2         17.76  4.49  C 1 2 1    
   161  ---  >11.43  --       1    40    3         17.75  4.64  C 1 2 1    
   162  13    0      --       1     1    7         17.74  3.14  C 1 2 1    
   163  ---  >11.43  --       1    92    1         17.72  5.09  C 1 2 1    
   164  ---  >11.43  --       1    51    3         17.72  4.69  C 1 2 1    
   165  ---  >11.43  --       1    28    3         17.71  4.38  C 1 2 1    
   166  ---  >11.43  --       1    80    2         17.71  4.95  C 1 2 1    
   167  14    0      --       1     9    4         17.70  3.89  C 1 2 1    
   168  ---  >11.43  --       1    43    2         17.70  4.55  C 1 2 1    
   169  ---  >11.43  --       1    93    1         17.70  5.68  C 1 2 1    
   170  ---  >11.43  --       1    60    2         17.69  4.78  C 1 2 1    
   171  ---  >11.43  --       1    76    1         17.68  4.83  C 1 2 1    
   172  ---  >11.43  --       1    76    2         17.68  4.96  C 1 2 1    
   173  ---  >11.43  --       1    94    1         17.67  5.56  C 1 2 1    
   174  ---  >11.43  --       1    61    2         17.66  4.80  C 1 2 1    
   175  ---  >11.43  --       1    74    1         17.65  5.05  C 1 2 1    
   176  ---  >11.43  --       1     3    2         17.64  3.43  C 1 2 1    
   177  15    0      --       1     5    5         17.64  3.43  C 1 2 1    
   178  ---  >11.43  --       1    23    4         17.62  4.19  C 1 2 1    
   179  ---  >11.43  --       1    65    2         17.61  5.05  C 1 2 1    
   180  ---  >11.43  --       1    20    5         17.61  3.99  C 1 2 1    
   181  ---  >11.43  --       1    41    3         17.60  4.14  C 1 2 1    
   182  16    0      --       1     5    6         17.58  3.40  C 1 2 1    
   183  ---  >11.43  --       1    92    2         17.58  5.01  C 1 2 1    
   184  ---  >11.43  --       1    79    1         17.57  5.43  C 1 2 1    
   185  ---  >11.43  --       1    64    1         17.57  4.91  C 1 2 1    
   186  17    0      --       1     4    6         17.57  3.31  C 1 2 1    
   187  ---  >11.43  --       1    80    3         17.57  5.03  C 1 2 1    
   188  18    0      --       1     3    3         17.55  3.40  C 1 2 1    
   189  ---  >11.43  --       1    63    2         17.55  4.65  C 1 2 1    
   190  ---  >11.43  --       1    48    2         17.54  4.60  C 1 2 1    
   191  ---  >11.43  --       1    11    4         17.54  3.68  C 1 2 1    
   192  ---  >11.43  --       1    27    2         17.53  4.32  C 1 2 1    
   193  ---  >11.43  --       1    86    1         17.53  5.29  C 1 2 1    
   194  19    0      --       1     1    8         17.53  2.99  C 1 2 1    
   195  20    0      --       1    16    6         17.53  3.88  C 1 2 1    
   196  ---  >11.43  --       1    89    1         17.51  5.20  C 1 2 1    
   197  ---  >11.43  --       1    75    1         17.51  5.59  C 1 2 1    
   198  21    0      --       1     1    9         17.49  3.03  C 1 2 1    
   199  ---  >11.43  --       1    19    6         17.49  4.12  C 1 2 1    
   200  ---  >11.43  --       1    51    4         17.48  4.73  C 1 2 1    
   201  ---  >11.43  --       1    21    5         17.47  3.97  C 1 2 1    
   202  ---  >11.43  --       1    58    3         17.46  4.81  C 1 2 1    
   203  ---  >11.43  --       1    43    3         17.45  4.54  C 1 2 1    
   204  22    0      --       1     1   10         17.45  3.18  C 1 2 1    
   205  ---  >11.43  --       1    69    2         17.44  5.05  C 1 2 1    
   206  ---  >11.43  --       1    38    3         17.44  4.63  C 1 2 1    
   207  ---  >11.43  --       1     2    4         17.42  3.09  C 1 2 1    
   208  ---  >11.43  --       1    65    3         17.37  4.73  C 1 2 1    
   209  ---  >11.43  --       1     3    4         17.37  3.24  C 1 2 1    
   210  ---  >11.43  --       1    36    3         17.36  4.57  C 1 2 1    
   211  ---  >11.43  --       1    63    3         17.35  4.54  C 1 2 1    
   212  23    0      --       1    21    6         17.34  3.90  C 1 2 1    
   213  ---  >11.43  --       1    47    2         17.34  4.70  C 1 2 1    
   214  ---  >11.43  --       1    64    2         17.34  4.86  C 1 2 1    
   215  ---  >11.43  --       1    73    1         17.33  5.53  C 1 2 1    
   216  ---  >11.43  --       1    79    2         17.33  5.09  C 1 2 1    
   217  ---  >11.43  --       1    45    3         17.33  4.52  C 1 2 1    
   218  ---  >11.43  --       1    53    2         17.33  4.54  C 1 2 1    
   219  ---  >11.43  --       1    97    1         17.31  5.00  C 1 2 1    
   220  ---  >11.43  --       1    62    3         17.31  4.58  C 1 2 1    
   221  24    0      --       1    12    4         17.31  3.64  C 1 2 1    
   222  ---  >11.43  --       1    45    4         17.31  4.43  C 1 2 1    
   223  ---  >11.43  --       1    29    3         17.30  4.52  C 1 2 1    
   224  ---  >11.43  --       1    10    3         17.29  3.51  C 1 2 1    
   225  ---  >11.43  --       1    58    4         17.29  4.75  C 1 2 1    
   226  25    0      --       1     9    5         17.28  3.68  C 1 2 1    
   227  ---  >11.43  --       1    92    3         17.27  4.69  C 1 2 1    
   228  ---  >11.43  --       1    36    4         17.27  4.34  C 1 2 1    
   229  ---  >11.43  --       1    72    2         17.27  5.26  C 1 2 1    
   230  ---  >11.43  --       1    35    3         17.27  4.16  C 1 2 1    
   231  ---  >11.43  --       1    27    3         17.26  3.99  C 1 2 1    
   232  ---  >11.43  --       1    35    4         17.25  4.03  C 1 2 1    
   233  ---  >11.43  --       1    13    3         17.24  3.92  C 1 2 1    
   234  ---  >11.43  --       1    38    4         17.24  4.26  C 1 2 1    
   235  ---  >11.43  --       1    33    4         17.24  3.99  C 1 2 1    
   236  ---  >11.43  --       1    76    3         17.24  4.60  C 1 2 1    
   237  26    0      --       1    12    5         17.23  3.95  C 1 2 1    
   238  27    0      --       1     5    7         17.23  3.22  C 1 2 1    
   239  ---  >11.43  --       1    69    3         17.22  4.73  C 1 2 1    
   240  ---  >11.43  --       1    66    2         17.21  4.91  C 1 2 1    
   241  ---  >11.43  --       1    48    3         17.21  4.53  C 1 2 1    
   242  28    0      --       1    19    7         17.20  4.01  C 1 2 1    
   243  29    0      --       1    23    5         17.20  4.14  C 1 2 1    
   244  ---  >11.43  --       1    38    5         17.19  4.28  C 1 2 1    
   245  ---  >11.43  --       1    45    5         17.19  4.56  C 1 2 1    
   246  ---  >11.43  --       1    74    2         17.19  4.76  C 1 2 1    
   247  ---  >11.43  --       1    17    4         17.19  3.61  C 1 2 1    
   248  ---  >11.43  --       1    82    1         17.19  4.66  C 1 2 1    
   249  ---  >11.43  --       1     7    3         17.18  3.47  C 1 2 1    
   250  30    0      --       1    17    5         17.17  3.63  C 1 2 1    
   251  ---  >11.43  --       1    28    4         17.17  4.27  C 1 2 1    
   252  ---  >11.43  --       1    24    4         17.16  3.91  C 1 2 1    
   253  ---  >11.43  --       1    18    4         17.16  3.90  C 1 2 1    
   254  ---  >11.43  --       1    27    4         17.15  3.84  C 1 2 1    
   255  ---  >11.43  --       1     8    4         17.15  3.44  C 1 2 1    
   256  ---  >11.43  --       1    47    3         17.15  4.69  C 1 2 1    
   257  ---  >11.43  --       1    88    1         17.15  5.55  C 1 2 1    
   258  ---  >11.43  --       1    60    3         17.14  4.33  C 1 2 1    
   259  31    0      --       1     2    5         17.14  3.18  C 1 2 1    
   260  ---  >11.43  --       1    39    4         17.13  3.98  C 1 2 1    
   261  ---  >11.43  --       1     3    5         17.12  3.11  C 1 2 1    
   262  ---  >11.43  --       1    70    1         17.10  5.09  C 1 2 1    
   263  ---  >11.43  --       1    97    2         17.10  4.74  C 1 2 1    
   264  ---  >11.43  --       1    89    2         17.09  5.01  C 1 2 1    
   265  ---  >11.43  --       1    29    4         17.09  4.23  C 1 2 1    
   266  ---  >11.43  --       1    54    3         17.08  4.79  C 1 2 1    
   267  32    0      --       1     5    8         17.07  3.02  C 1 2 1    
   268  ---  >11.43  --       1    25    3         17.07  4.04  C 1 2 1    
   269  33    0      --       1     3    6         17.07  3.25  C 1 2 1    
   270  ---  >11.43  --       1    14    5         17.06  3.57  C 1 2 1    
   271  ---  >11.43  --       1    12    6         17.06  3.38  C 1 2 1    
   272  ---  >11.43  --       1    44    4         17.06  4.10  C 1 2 1    
   273  ---  >11.43  --       1    80    4         17.06  4.44  C 1 2 1    
   274  ---  >11.43  --       1   102    1         17.06  5.68  C 1 2 1    
   275  34    0      --       1     3    7         17.05  3.10  C 1 2 1    
   276  ---  >11.43  --       1    57    2         17.05  4.59  C 1 2 1    

   34 accepted of 276 solutions
      34 pack of 34 accepted solutions

------------
OUTPUT FILES
------------

   No files output

CPU Time: 0 days 0 hrs 0 mins 36.20 secs (     36.20 secs)
Finished: Thu Sep 30 04:36:47 2021

******************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT REFINEMENT AND PHASING                  2.8.3 ***
******************************************************************************************


-----------------
TRANSLATIONAL NCS
-----------------

   tNCS not present

-------------------------------
DATA FOR REFINEMENT AND PHASING
-------------------------------

   Outlier Rejection
   -----------------
   No reflections are outliers


   Resolution of All Data (Number):        2.92  48.49 (2447)
   Resolution of Selected Data (Number):   2.92  48.49 (2447)


-------------------
WILSON DISTRIBUTION
-------------------

   Parameters set for Wilson log-likelihood calculation
   E = 0 and variance 1 for each reflection
   Without correction for SigF to the variances,
      Wilson log(likelihood) = - number of acentrics (2035)
                               - half number of centrics (412/2)
                             = -2241
   With correction for SigF,
      Wilson log(likelihood) = -2234.31

----------
ENSEMBLING
----------

   Ensemble Generation
   -------------------
   Resolution of Ensembles: 2.91671
   Scat% Radius Model# Rel-B    RMS   DRMS   VRMS Ensemble                           
     7.8    6.1      1  35.4  1.000  0.000  1.000 helix_ala                          

   Trace Generation
   ----------------
   Ensemble        Trace-type  Length      Sampling Close-contact
   helix_ala       all-atom        70          1.50          1.00

----------
REFINEMENT
----------

   Protocol cycle #1 of 1
   Refinement protocol for this macrocycle:
   ROTATION:         REFINE
   TRANSLATION:      REFINE
   BFACTOR:          REFINE
   MODEL VRMS:       FIX
   CELL SCALE:       FIX
   OCCUPANCY FACTOR: FIX
   LAST ONLY:        FALSE
   ROTATION RESTRAINT:    OFF
   TRANSLATION RESTRAINT: OFF

   There are 34 solutions to refine
   Spreading calculation onto 23 threads.
   Refining solutions
   0% 100%
   |===| DONE


   REFINING SET #1 OF 34
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  333.5   13.1   89.6 FRAC  0.14  0.00 -0.18 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 4 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          19.080                23.379                 4.298

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  333.0   12.7   90.4 FRAC  0.14 -0.00 -0.18 BFAC -21.11

   REFINING SET #2 OF 34
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  333.5   13.1   89.6 FRAC -0.09 -0.00  0.21 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 6 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          18.307                23.107                 4.800

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  333.1   11.3   85.8 FRAC -0.09 -0.01  0.21 BFAC -19.86


   REFINING SET #3 OF 34
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  332.7   11.3  282.4 FRAC -0.07 -0.00  0.27 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 6 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          18.249                22.156                 3.907

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  332.7   10.7  281.4 FRAC -0.06 -0.00  0.27 BFAC -19.19

   REFINING SET #4 OF 34
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  333.5   13.1   89.6 FRAC -0.07  0.00  0.27 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 4 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          18.245                23.415                 5.171

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  334.5   11.4   89.7 FRAC -0.06 -0.01  0.27 BFAC -20.42


   REFINING SET #5 OF 34
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER   34.2    9.8  125.2 FRAC  0.15  0.00 -0.20 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          18.190                24.382                 6.192

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER   29.6   11.0  122.0 FRAC  0.14  0.00 -0.21 BFAC -21.69

   REFINING SET #6 OF 34
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER   34.2    9.8  125.2 FRAC -0.05  0.00 -0.21 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 8 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          17.954                21.537                 3.584

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER   24.7   10.9  133.4 FRAC -0.05  0.01 -0.21 BFAC -15.37


   REFINING SET #7 OF 34
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  333.5   13.1   89.6 FRAC  0.12  0.00  0.27 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 5 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          17.966                20.966                 3.000

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  334.3   12.3   84.8 FRAC  0.12 -0.00  0.26 BFAC -15.40

   REFINING SET #8 OF 34
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER   34.2    9.8  125.2 FRAC  0.05 -0.00 -0.16 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          17.861                22.268                 4.406

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER   29.1   11.5  120.6 FRAC  0.04 -0.00 -0.16 BFAC -18.92


   REFINING SET #9 OF 34
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  322.7    9.7   86.8 FRAC  0.21 -0.00  0.20 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 5 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          17.868                22.125                 4.257

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  330.4   11.0   80.7 FRAC  0.21 -0.00  0.20 BFAC -18.73

   REFINING SET #10 OF 34
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  341.9   13.2   95.0 FRAC -0.04  0.00 -0.18 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 6 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          18.000                23.720                 5.720

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  332.7   11.2  113.6 FRAC -0.03  0.01 -0.17 BFAC -21.37


   REFINING SET #11 OF 34
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER   12.4   10.8  174.4 FRAC -0.11  0.00  0.19 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 5 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          17.392                20.713                 3.321

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER   20.5    8.8  167.0 FRAC -0.10 -0.01  0.19 BFAC -13.64

   REFINING SET #12 OF 34
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER   12.4   10.8  174.4 FRAC -0.07 -0.00  0.24 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 9 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          17.376                21.663                 4.287

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER   20.6    8.7  184.0 FRAC -0.07 -0.01  0.25 BFAC -14.95


   REFINING SET #13 OF 34
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  333.5   13.1   89.6 FRAC  0.06 -0.00 -0.12 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 4 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          17.656                21.196                 3.540

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  334.7   12.2   87.5 FRAC  0.06 -0.01 -0.13 BFAC -17.15

   REFINING SET #14 OF 34
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  348.1   11.6  157.1 FRAC -0.08  0.00  0.23 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          17.865                21.950                 4.085

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  334.9   10.8  172.3 FRAC -0.08  0.02  0.24 BFAC -17.71


   REFINING SET #15 OF 34
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  322.7    9.7   86.8 FRAC -0.06  0.00  0.25 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 6 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          17.592                23.428                 5.836

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  334.5   11.4   90.5 FRAC -0.06 -0.01  0.27 BFAC -19.81

   REFINING SET #16 OF 34
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  322.7    9.7   86.8 FRAC -0.09 -0.00  0.20 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          17.466                23.106                 5.640

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  333.2   11.3   85.4 FRAC -0.09 -0.01  0.21 BFAC -20.24


   REFINING SET #17 OF 34
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER   34.2    9.8  125.2 FRAC -0.07  0.00  0.24 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 8 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          17.425                22.214                 4.789

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER   21.8   11.1  126.4 FRAC -0.08  0.01  0.24 BFAC -16.94

   REFINING SET #18 OF 34
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  341.9   13.2   95.0 FRAC -0.06  0.00  0.27 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 5 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          17.591                23.408                 5.817

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  334.6   11.5   90.2 FRAC -0.06  0.01  0.27 BFAC -21.35


   REFINING SET #19 OF 34
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  333.5   13.1   89.6 FRAC  0.21 -0.00  0.21 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 6 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          17.397                22.145                 4.748

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  330.0   11.2   81.5 FRAC  0.21 -0.00  0.20 BFAC -19.16

   REFINING SET #20 OF 34
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  160.5    2.0   26.0 FRAC  0.18 -0.00 -0.14 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 3 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          17.476                19.342                 1.866

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  135.3    5.4   51.8 FRAC  0.19 -0.03 -0.14 BFAC -10.03


   REFINING SET #21 OF 34
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  333.5   13.1   89.6 FRAC -0.04  0.00 -0.18 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 10 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          17.485                23.727                 6.242

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  333.5   11.1  112.4 FRAC -0.03 -0.01 -0.17 BFAC -21.02

   REFINING SET #22 OF 34
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  333.5   13.1   89.6 FRAC  0.17 -0.00  0.10 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 5 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          17.360                20.575                 3.215

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  336.9   12.1   85.2 FRAC  0.17 -0.01  0.10 BFAC -15.53


   REFINING SET #23 OF 34
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  325.1    9.0   15.6 FRAC -0.05 -0.00 -0.21 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 6 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          17.362                22.822                 5.460

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  324.6   11.7   22.9 FRAC -0.04  0.01 -0.20 BFAC -20.37


   REFINING SET #24 OF 34
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  307.3    6.1   88.6 FRAC  0.20 -0.00  0.14 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          16.795                21.943                 5.149

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  328.6    9.3   66.2 FRAC  0.18 -0.00  0.14 BFAC -18.67


   REFINING SET #25 OF 34
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  348.1   11.6  157.1 FRAC -0.05  0.00 -0.21 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 8 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          17.327                20.722                 3.395

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  328.5   12.5  180.2 FRAC -0.05  0.03 -0.21 BFAC -15.69


   REFINING SET #26 OF 34
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  307.3    6.1   88.6 FRAC  0.13  0.00  0.25 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 9 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          16.575                20.285                 3.710

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  334.1   10.2   64.9 FRAC  0.12 -0.00  0.25 BFAC -15.20


   REFINING SET #27 OF 34
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  322.7    9.7   86.8 FRAC  0.12  0.00  0.26 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 6 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          17.336                21.354                 4.018

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  330.4   10.8   83.0 FRAC  0.11 -0.00  0.26 BFAC -16.91


   REFINING SET #28 OF 34
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  332.7   11.3  282.4 FRAC -0.03  0.00 -0.18 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 6 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          17.214                20.231                 3.017

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  333.9   10.9  290.8 FRAC -0.03 -0.00 -0.17 BFAC -16.10


   REFINING SET #29 OF 34
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  287.2    5.8   81.3 FRAC  0.15 -0.00 -0.20 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 8 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          17.279                20.868                 3.589

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  297.3    7.2   64.1 FRAC  0.15  0.01 -0.20 BFAC -13.60


   REFINING SET #30 OF 34
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER   47.8    6.3  125.2 FRAC  0.09  0.00 -0.09 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 8 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          16.724                20.879                 4.156

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER   35.8    9.9  141.0 FRAC  0.08 -0.01 -0.09 BFAC -14.60


   REFINING SET #31 OF 34
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER   12.4   10.8  174.4 FRAC  0.14  0.00 -0.20 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 10 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          16.816                19.821                 3.005

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER   21.3   10.6  165.3 FRAC  0.15 -0.01 -0.20 BFAC -13.13


   REFINING SET #32 OF 34
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  322.7    9.7   86.8 FRAC  0.19 -0.00  0.14 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 9 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          17.108                21.938                 4.830

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  328.9    9.3   66.0 FRAC  0.18 -0.01  0.14 BFAC -18.27


   REFINING SET #33 OF 34
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  341.9   13.2   95.0 FRAC  0.13  0.00  0.27 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 8 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          17.251                20.828                 3.577

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  339.3   11.4  107.6 FRAC  0.13 -0.00  0.27 BFAC -15.56


   REFINING SET #34 OF 34
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  341.9   13.2   95.0 FRAC  0.24  0.00  0.27 BFAC  0.00

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 8 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          17.183                21.005                 3.822

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  337.9   11.4  101.7 FRAC  0.24  0.00  0.27 BFAC -16.66


   Mean and Sigma after Refinement (for Purge)
   -------------------------------------------
   Scoring 510 randomly sampled orientations and translations

   Spreading calculation onto 23 threads.
   Generating Statistics
   0% 100%
   |===| DONE

   Mean Score for Purge before Refinement:  9.05
   Mean Score for Purge after Refinement :  15.68

$TABLE : Refinement After Placing Component #1 (helix_ala  2.92A) :
$GRAPHS 
:Solution Number vs LL-gain:AUTO:1,2,3: :Solution Number vs R-value:AUTO:1,4,5: 
$$
Number final-LLG initial-LLG final-R initial-R
$$ loggraph $$
1      29.49      19.13 58.64 58.32
2      28.62      18.28 58.76 58.86
3      27.22      18.25 58.74 58.28
4      28.73      18.16 58.87 58.16
5      30.81      18.04 59.12 59.38
6      25.17      18.04 58.97 58.55
7      24.27      17.99 60.64 60.70
8      27.37      17.90 58.95 59.51
9      27.28      17.88 58.71 58.92
10      29.79      17.87 57.05 58.92
11      23.62      17.81 59.42 60.05
12      24.89      17.77 60.21 60.41
13      25.35      17.74 59.71 59.46
14      26.08      17.70 58.39 60.57
15      28.48      17.64 58.87 57.97
16      28.87      17.58 58.73 58.49
17      26.29      17.57 59.53 59.25
18      29.46      17.55 58.80 59.20
19      27.58      17.53 58.58 58.68
20      20.94      17.53 60.23 62.50
21      29.81      17.49 57.17 58.39
22      23.82      17.45 60.23 59.33
23      28.31      17.34 57.72 58.70
24      26.87      17.31 58.63 59.04
25      23.93      17.28 57.09 60.66
26      23.76      17.23 59.59 60.31
27      25.27      17.23 58.83 59.10
28      23.96      17.20 58.91 58.60
29      23.20      17.20 59.44 59.91
30      23.80      17.17 58.20 59.57
31      22.42      17.14 59.59 61.21
32      26.61      17.07 58.60 58.86
33      24.02      17.07 60.09 60.48
34      24.96      17.05 58.88 59.52
$$
---------------
FIND DUPLICATES
---------------

   Check for nearly equivalent solutions
   Spreading calculation onto 23 threads.
   Calculating Duplicates for 34 solutions
   0% 100%
   |===| DONE

   8 duplicate solutions found

---------------------
FIND TEMPLATE MATCHES
---------------------

   No Template Solution(s) for comparison


---------------
PURGE SELECTION
---------------

   Purge solutions according to highest LLG from Refinement
   --------------------------------------------------------
   Top LLG (all) = 30.813
   Top LLG (packs) = 30.813
   Mean LLG = 15.6798
   Percent used for purge = 75%
      Cutoff for acceptance = 27.0
   Number used for purge  = 50
      Cutoff for acceptance = 20.9
   Overall cutoff for acceptance (excluding high TFZ) = 27.0
   Number of solutions stored before purge = 34
   Number of solutions stored (deleted) after purge = 14 (20)


---------------
TFZ EQUIVALENTS
---------------

   Refined TFZ equivalents calculated
   1 top TFZ equivalents calculated

   SOLUTION #1 OF 34
   -----------------
   TFZ equivalent calculation #1 of 1
      TOPFILE

   Spreading calculation onto 23 threads.
   Generating Statistics
   0%                     100%
   |=======================| DONE

   Mean Score (Sigma):       17.28   (3.01)
   Refined TF/TFZ equivalent = 30.81/  4.5 (Unrefined TF/TFZ=18.04/  3.7)


-------
RESULTS
-------

   Refinement Table (Sorted)
   -------------------------
   Refinement to full resolution
   #out =#out #in =T (Start LLG Rval TFZ) (Refined LLG Rval TFZ==) SpaceGroup  Cntrst
   Top1 ---   5            18.0 59.4  3.7         30.8 59.1  4.5   C 1 2 1      1.071
   2    ---   21           17.5 58.4  3.6         29.8 57.2  n/a   C 1 2 1      1.022
   ---  2     10           17.9 58.9  3.6         29.8 57.0  n/a   C 1 2 1      1.022
   3    ---   1            19.1 58.3  4.0         29.5 58.6  n/a   C 1 2 1      1.002
   4    ---   18           17.5 59.2  3.4         29.5 58.8  n/a   C 1 2 1      1.014
   5    ---   16           17.6 58.5  3.5         28.9 58.7  n/a   C 1 2 1      1.011
   ---  4     4            18.2 58.2  3.4         28.7 58.9  n/a   C 1 2 1      1.014
   ---  5     2            18.3 58.9  3.5         28.6 58.8  n/a   C 1 2 1      1.011
   ---  4     15           17.6 58.0  3.4         28.5 58.9  n/a   C 1 2 1      1.014
   6    ---   23           17.3 58.7  3.9         28.3 57.7  n/a   C 1 2 1      1.061
   7    ---   19           17.5 58.7  3.5         27.6 58.6  n/a   C 1 2 1      1.006
   8    ---   8            17.9 59.5  3.5         27.4 59.0  n/a   C 1 2 1      1.008
   ---  7     9            17.9 58.9  3.5         27.3 58.7  n/a   C 1 2 1      1.006
   9    ---   3            18.3 58.3  4.6         27.2 58.7  n/a   C 1 2 1      1.031
   ---  ---   24           17.3 59.0  3.6         26.9 58.6  n/a   C 1 2 1      1.031
   ---  ---   32           17.1 58.9  3.0         26.6 58.6  n/a   C 1 2 1      1.031
   ---  ---   17           17.6 59.3  3.9         26.3 59.5  n/a   C 1 2 1      1.076
   ---  ---   14           17.7 60.6  3.9         26.1 58.4  n/a   C 1 2 1      1.076
   ---  ---   13           17.7 59.5  3.1         25.3 59.7  n/a   C 1 2 1      1.008
   ---  ---   27           17.2 59.1  3.6         25.3 58.8  n/a   C 1 2 1      1.030
   ---  ---   6            18.0 58.6  3.6         25.2 59.0  n/a   C 1 2 1      1.023
   ---  ---   34           17.1 59.5  3.1         25.0 58.9  n/a   C 1 2 1      1.007
   ---  ---   12           17.8 60.4  3.4         24.9 60.2  n/a   C 1 2 1      1.072
   ---  ---   7            18.0 60.7  3.6         24.3 60.6  n/a   C 1 2 1      1.030
   ---  ---   33           17.1 60.5  3.2         24.0 60.1  n/a   C 1 2 1      1.008
   ---  ---   28           17.2 58.6  4.0         24.0 58.9  n/a   C 1 2 1      1.004
   ---  ---   25           17.3 60.7  3.7         23.9 57.1  n/a   C 1 2 1      1.014
   ---  ---   22           17.5 59.3  3.2         23.8 60.2  n/a   C 1 2 1      1.002
   ---  ---   30           17.2 59.6  3.6         23.8 58.2  n/a   C 1 2 1      1.006
   ---  ---   26           17.2 60.3  4.0         23.8 59.6  n/a   C 1 2 1      1.016
   ---  ---   11           17.8 60.0  3.3         23.6 59.4  n/a   C 1 2 1      1.056
   ---  ---   29           17.2 59.9  4.1         23.2 59.4  n/a   C 1 2 1      1.116
   ---  ---   31           17.1 61.2  3.2         22.4 59.6  n/a   C 1 2 1      1.283
   ---  ---   20           17.5 62.5  3.9         20.9 60.2  n/a   C 1 2 1       n/a 

   Refinement Table (Variance Ranges)
   ----------------------------------
   Range of delta-VRMS and VRMS given over current solution list (34 solution(s))
   Ensemble        Model#   RMS   Delta-VRMS min/max  (VRMS min/max)
   helix_ala            1   1.000   +0.000/+0.000    ( 1.000/ 1.000 )


------------
OUTPUT FILES
------------

   Calculation of Map Coefficients
   -------------------------------
   1 top map coefficients calculated

   Map coefficient calculated for top solution #1
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_ala EULER   29.6   11.0  122.0 FRAC  0.14  0.00 -0.21 BFAC -21.69 #TFZ==4.5

   No files output


CPU Time: 0 days 0 hrs 0 mins 42.33 secs (     42.33 secs)
Finished: Thu Sep 30 04:36:47 2021

******************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                               2.8.3 ***
******************************************************************************************

** Current is Best Solution (first search)
** Current solution has 1 component
** New Best LLG = 30.8 (resolution = 2.92)
** Best Component so far = helix_ala 

CPU Time: 0 days 0 hrs 0 mins 42.33 secs (     42.33 secs)
Finished: Thu Sep 30 04:36:47 2021

******************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                               2.8.3 ***
******************************************************************************************

   First component placed

CPU Time: 0 days 0 hrs 0 mins 42.33 secs (     42.33 secs)
Finished: Thu Sep 30 04:36:47 2021

******************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                               2.8.3 ***
******************************************************************************************

** Solutions will be refined to highest resolution
**    Resolution for refinement: 2.91671
** Protocol for MR refinement is DEFAULT
** VRMS (variances) of ensemble(s) WILL be refined

CPU Time: 0 days 0 hrs 0 mins 42.33 secs (     42.33 secs)
Finished: Thu Sep 30 04:36:47 2021

******************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT REFINEMENT AND PHASING                  2.8.3 ***
******************************************************************************************


-----------------
TRANSLATIONAL NCS
-----------------

   tNCS not present

-------------------------------
DATA FOR REFINEMENT AND PHASING
-------------------------------

   Outlier Rejection
   -----------------
   No reflections are outliers


   Resolution of All Data (Number):        2.92  48.49 (2447)
   Resolution of Selected Data (Number):   2.92  48.49 (2447)


-------------------
WILSON DISTRIBUTION
-------------------

   Parameters set for Wilson log-likelihood calculation
   E = 0 and variance 1 for each reflection
   Without correction for SigF to the variances,
      Wilson log(likelihood) = - number of acentrics (2035)
                               - half number of centrics (412/2)
                             = -2241
   With correction for SigF,
      Wilson log(likelihood) = -2234.31

----------
ENSEMBLING
----------

   Ensemble Generation
   -------------------
   Resolution of Ensembles: 2.91671
   Scat% Radius Model# Rel-B    RMS   DRMS   VRMS Ensemble                           
     7.8    6.1      1  35.4  1.000  0.000  1.000 helix_ala                          

   Trace Generation
   ----------------
   Ensemble        Trace-type  Length      Sampling Close-contact
   helix_ala       all-atom        70          1.50          1.00

----------
REFINEMENT
----------

   Protocol cycle #1 of 1
   Refinement protocol for this macrocycle:
   ROTATION:         REFINE
   TRANSLATION:      REFINE
   BFACTOR:          REFINE
   MODEL VRMS:       REFINE
   CELL SCALE:       FIX
   OCCUPANCY FACTOR: FIX
   LAST ONLY:        FALSE
   ROTATION RESTRAINT:    OFF
   TRANSLATION RESTRAINT: OFF

   There are 9 solutions to refine
   Spreading calculation onto 23 threads.
   Refining solutions
   0% 100%
   |==| DONE


   REFINING SET #1 OF 9
   --------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER   29.6   11.0  122.0 FRAC  0.14  0.00 -0.21 BFAC -21.69 #TFZ==4.5

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 12 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          24.382                38.056                13.674

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER   30.1   11.3  121.5 FRAC  0.14 -0.00 -0.21 BFAC -11.61 #TFZ==4.5
   SOLU ENSEMBLE helix_ala VRMS DELTA -0.9787 #RMSD  1.00 #VRMS  0.15


   REFINING SET #2 OF 9
   --------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  333.5   11.1  112.4 FRAC -0.03 -0.01 -0.17 BFAC -21.02

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 8 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          23.727                35.923                12.196

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  335.5   12.1  111.3 FRAC -0.03 -0.01 -0.17 BFAC -7.31
   SOLU ENSEMBLE helix_ala VRMS DELTA -0.9787 #RMSD  1.00 #VRMS  0.15


   REFINING SET #3 OF 9
   --------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  333.0   12.7   90.4 FRAC  0.14 -0.00 -0.18 BFAC -21.11

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 10 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          23.379                36.687                13.308

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  331.3   13.3   89.9 FRAC  0.14  0.00 -0.18 BFAC -13.04
   SOLU ENSEMBLE helix_ala VRMS DELTA -0.9787 #RMSD  1.00 #VRMS  0.15


   REFINING SET #4 OF 9
   --------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  334.6   11.5   90.2 FRAC -0.06  0.01  0.27 BFAC -21.35

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 9 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          23.408                37.371                13.963

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  334.3   11.4   89.9 FRAC -0.06  0.01  0.27 BFAC -12.93
   SOLU ENSEMBLE helix_ala VRMS DELTA -0.9787 #RMSD  1.00 #VRMS  0.15


   REFINING SET #5 OF 9
   --------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  333.2   11.3   85.4 FRAC -0.09 -0.01  0.21 BFAC -20.24

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 10 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          23.106                36.529                13.424

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  333.8   11.5   80.3 FRAC -0.09 -0.01  0.21 BFAC -12.62
   SOLU ENSEMBLE helix_ala VRMS DELTA -0.9787 #RMSD  1.00 #VRMS  0.15


   REFINING SET #6 OF 9
   --------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  324.6   11.7   22.9 FRAC -0.04  0.01 -0.20 BFAC -20.37

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 10 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          22.822                36.713                13.891

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  324.9   11.8   22.7 FRAC -0.04  0.01 -0.20 BFAC -12.51
   SOLU ENSEMBLE helix_ala VRMS DELTA -0.9787 #RMSD  1.00 #VRMS  0.15


   REFINING SET #7 OF 9
   --------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  330.0   11.2   81.5 FRAC  0.21 -0.00  0.20 BFAC -19.16

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 10 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          22.145                35.103                12.958

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  330.0   11.7   82.4 FRAC  0.21  0.00  0.20 BFAC -11.25
   SOLU ENSEMBLE helix_ala VRMS DELTA -0.9787 #RMSD  1.00 #VRMS  0.15


   REFINING SET #8 OF 9
   --------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER   29.1   11.5  120.6 FRAC  0.04 -0.00 -0.16 BFAC -18.92

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 9 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          22.268                34.969                12.702

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER   29.8   11.6  118.7 FRAC  0.04 -0.00 -0.16 BFAC -11.67
   SOLU ENSEMBLE helix_ala VRMS DELTA -0.9787 #RMSD  1.00 #VRMS  0.15


   REFINING SET #9 OF 9
   --------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  332.7   10.7  281.4 FRAC -0.06 -0.00  0.27 BFAC -19.19

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 15 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          22.156                34.820                12.665

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  332.9   10.7  279.7 FRAC -0.06 -0.00  0.27 BFAC -11.57
   SOLU ENSEMBLE helix_ala VRMS DELTA -0.9787 #RMSD  1.00 #VRMS  0.15


   Mean and Sigma after Refinement (for Purge)
   -------------------------------------------
   Scoring 504 randomly sampled orientations and translations

   Spreading calculation onto 23 threads.
   Generating Statistics
   0% 100%
   |==| DONE

   Mean Score for Purge before Refinement:  15.68
   Mean Score for Purge after Refinement :  17.44

$TABLE : Refinement After Placing Component #1 (helix_ala  2.92A) :
$GRAPHS 
:Solution Number vs LL-gain:AUTO:1,2,3: :Solution Number vs R-value:AUTO:1,4,5: 
$$
Number final-LLG initial-LLG final-R initial-R
$$ loggraph $$
1      39.80      30.81 59.03 59.12
2      36.30      29.81 57.42 57.17
3      38.99      29.49 58.25 58.64
4      38.95      29.46 58.98 58.80
5      38.59      28.87 58.67 58.73
6      38.51      28.31 58.11 57.72
7      36.68      27.58 58.57 58.58
8      36.98      27.37 58.94 58.95
9      36.81      27.22 58.84 58.74
$$
---------------
FIND DUPLICATES
---------------

   Check for nearly equivalent solutions
   Spreading calculation onto 23 threads.
   Calculating Duplicates for 9 solutions
   0% 100%
   |==| DONE

   No duplicate solutions found

---------------------
FIND TEMPLATE MATCHES
---------------------

   No Template Solution(s) for comparison


---------------
PURGE SELECTION
---------------

   Purge solutions according to highest LLG from Refinement
   --------------------------------------------------------
   Top LLG (all) = 39.8025
   Top LLG (packs) = 39.8025
   Mean LLG = 17.4375
   Percent used for purge = 75%
      Cutoff for acceptance = 34.2
   Number used for purge  = 50
      Cutoff for acceptance = 36.3
   Overall cutoff for acceptance (excluding high TFZ) = 36.3
   Number of solutions stored before purge = 9
   Number of solutions stored (deleted) after purge = 9 (0)


---------------
TFZ EQUIVALENTS
---------------

   Refined TFZ equivalents calculated
   1 top TFZ equivalents calculated

   SOLUTION #1 OF 9
   ----------------
   TFZ equivalent calculation #1 of 1
      TOPFILE

   Spreading calculation onto 23 threads.
   Generating Statistics
   0%                     100%
   |=======================| DONE

   Mean Score (Sigma):       18.46   (4.82)
   Refined TF/TFZ equivalent = 39.80/  4.4 (Unrefined TF/TFZ=30.81/  4.5)


-------
RESULTS
-------

   Refinement Table (Sorted)
   -------------------------
   Refinement to full resolution
   #out =#out #in =T (Start LLG Rval TFZ) (Refined LLG Rval TFZ==) SpaceGroup  Cntrst
   Top1 ---   1            30.8 59.1  4.5         39.8 59.0  4.4   C 1 2 1      1.038
   2    ---   3            29.5 58.6  4.0         39.0 58.3  n/a   C 1 2 1      1.002
   3    ---   4            29.5 58.8  3.4         39.0 59.0  n/a   C 1 2 1      1.017
   4    ---   5            28.9 58.7  3.5         38.6 58.7  n/a   C 1 2 1      1.004
   5    ---   6            28.3 57.7  3.9         38.5 58.1  n/a   C 1 2 1      1.079
   6    ---   8            27.4 59.0  3.5         37.0 58.9  n/a   C 1 2 1      1.009
   7    ---   9            27.2 58.7  4.6         36.8 58.8  n/a   C 1 2 1      1.007
   8    ---   7            27.6 58.6  3.5         36.7 58.6  n/a   C 1 2 1      1.020
   9    ---   2            29.8 57.2  3.6         36.3 57.4  n/a   C 1 2 1       n/a 

   Refinement Table (Variance Ranges)
   ----------------------------------
   Range of delta-VRMS and VRMS given over current solution list (9 solution(s))
   Ensemble        Model#   RMS   Delta-VRMS min/max  (VRMS min/max)
   helix_ala            1   1.000   -0.979/-0.979    ( 0.146/ 0.146 )


------------
OUTPUT FILES
------------

   Calculation of Map Coefficients
   -------------------------------
   1 top map coefficients calculated

   Map coefficient calculated for top solution #1
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_ala EULER   30.1   11.3  121.5 FRAC  0.14 -0.00 -0.21 BFAC -11.61 #TFZ==4.4
   SOLU ENSEMBLE helix_ala VRMS DELTA -0.9787 #RMSD  1.00 #VRMS  0.15

   No files output


CPU Time: 0 days 0 hrs 0 mins 45.25 secs (     45.25 secs)
Finished: Thu Sep 30 04:36:48 2021

******************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                               2.8.3 ***
******************************************************************************************

** Search model is a helix
** Refinement may have introduced clashes
** Packing will be checked

CPU Time: 0 days 0 hrs 0 mins 45.25 secs (     45.25 secs)
Finished: Thu Sep 30 04:36:48 2021

******************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT PACKING ANALYSIS                        2.8.3 ***
******************************************************************************************


---------
ENSEMBLES
---------

   Trace Generation
   ----------------
   Ensemble        Trace-type  Length      Sampling Close-contact
   helix_ala       all-atom        70          1.50          1.00

-----------------
ENSEMBLE SYMMETRY
-----------------

   Ensemble "helix_ala" Point Group: 1

   Clash background has been packed at 10.00%

----------------
PACKING FUNCTION
----------------

   There are 9 solutions to pack
   Spreading calculation onto 23 threads.
   Packing analysis
   0% 100%
   |==| DONE


   Packing Table
   -------------
   Solutions accepted if pairwise clashes less than 10 % of trace atoms
   #in  #out Clash-% Symm  SpaceGroup  Annotation                                                   
   1    Top1  0      --    C 1 2 1     RFZ=4.1 TFZ=3.7 PAK=0 LLG=31 TFZ==4.5 LLG=40 TFZ==4.4 PAK=0  
   2    2     0      --    C 1 2 1     RFZ=4.3 TFZ=4.0 PAK=0 LLG=29 LLG=39 PAK=0                    
   3    3     0      --    C 1 2 1     RFZ=4.2 TFZ=3.4 PAK=0 LLG=29 LLG=39 PAK=0                    
   4    4     0      --    C 1 2 1     RFZ=4.1 TFZ=3.4 PAK=0 LLG=29 LLG=39 PAK=0                    
   5    5     0      --    C 1 2 1     RFZ=3.8 TFZ=3.9 PAK=0 LLG=28 LLG=39 PAK=0                    
   6    6     0      --    C 1 2 1     RFZ=4.1 TFZ=3.5 PAK=0 LLG=27 LLG=37 PAK=0                    
   7    7     0      --    C 1 2 1     RFZ=3.8 TFZ=4.6 PAK=0 LLG=27 LLG=37 PAK=0                    
   8    8     0      --    C 1 2 1     RFZ=4.3 TFZ=3.0 PAK=0 LLG=28 LLG=37 PAK=0                    
   9    9     0      --    C 1 2 1     RFZ=4.3 TFZ=3.0 PAK=0 LLG=30 LLG=36 PAK=0                    

   9 accepted of 9 solutions
      9 pack of 9 accepted solutions

------------
OUTPUT FILES
------------

   No files output

CPU Time: 0 days 0 hrs 0 mins 45.25 secs (     45.25 secs)
Finished: Thu Sep 30 04:36:48 2021

******************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT REFINEMENT AND PHASING                  2.8.3 ***
******************************************************************************************


-----------------
TRANSLATIONAL NCS
-----------------

   tNCS not present

-------------------------------
DATA FOR REFINEMENT AND PHASING
-------------------------------

   Outlier Rejection
   -----------------
   No reflections are outliers


   Resolution of All Data (Number):        2.92  48.49 (2447)
   Resolution of Selected Data (Number):   2.92  48.49 (2447)


-------------------
WILSON DISTRIBUTION
-------------------

   Parameters set for Wilson log-likelihood calculation
   E = 0 and variance 1 for each reflection
   Without correction for SigF to the variances,
      Wilson log(likelihood) = - number of acentrics (2035)
                               - half number of centrics (412/2)
                             = -2241
   With correction for SigF,
      Wilson log(likelihood) = -2234.31

----------
ENSEMBLING
----------

   Ensemble Generation
   -------------------
   Resolution of Ensembles: 2.91671
   Scat% Radius Model# Rel-B    RMS   DRMS   VRMS Ensemble                           
     7.8    6.1      1  35.4  1.000  0.000  1.000 helix_ala                          

   Trace Generation
   ----------------
   Ensemble        Trace-type  Length      Sampling Close-contact
   helix_ala       all-atom        70          1.50          1.00

----------
REFINEMENT
----------

   Protocol cycle #1 of 1
   Refinement protocol for this macrocycle:
   ROTATION:         REFINE
   TRANSLATION:      REFINE
   BFACTOR:          REFINE
   MODEL VRMS:       FIX
   CELL SCALE:       FIX
   OCCUPANCY FACTOR: FIX
   LAST ONLY:        FALSE
   ROTATION RESTRAINT:    OFF
   TRANSLATION RESTRAINT: OFF

   There are 9 solutions to refine
   Spreading calculation onto 23 threads.
   Refining solutions
   0% 100%
   |==| DONE


   REFINING SET #1 OF 9
   --------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER   30.1   11.3  121.5 FRAC  0.14 -0.00 -0.21 BFAC -11.61 #TFZ==4.4
   SOLU ENSEMBLE helix_ala VRMS DELTA -0.9787 #RMSD  1.00 #VRMS  0.15

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 6 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          38.056                38.434                 0.378

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER   30.8   11.1  119.2 FRAC  0.14 -0.00 -0.21 BFAC -13.18 #TFZ==4.4
   SOLU ENSEMBLE helix_ala VRMS DELTA -0.9787 #RMSD  1.00 #VRMS  0.15


   REFINING SET #2 OF 9
   --------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  331.3   13.3   89.9 FRAC  0.14  0.00 -0.18 BFAC -13.04
   SOLU ENSEMBLE helix_ala VRMS DELTA -0.9787 #RMSD  1.00 #VRMS  0.15

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 2 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          36.687                36.732                 0.045

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  331.6   13.2   90.5 FRAC  0.14  0.00 -0.18 BFAC -13.23
   SOLU ENSEMBLE helix_ala VRMS DELTA -0.9787 #RMSD  1.00 #VRMS  0.15


   REFINING SET #3 OF 9
   --------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  334.3   11.4   89.9 FRAC -0.06  0.01  0.27 BFAC -12.93
   SOLU ENSEMBLE helix_ala VRMS DELTA -0.9787 #RMSD  1.00 #VRMS  0.15

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 3 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          37.371                37.393                 0.022

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  334.9   11.5   89.1 FRAC -0.06  0.01  0.27 BFAC -13.35
   SOLU ENSEMBLE helix_ala VRMS DELTA -0.9787 #RMSD  1.00 #VRMS  0.15


   REFINING SET #4 OF 9
   --------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  333.8   11.5   80.3 FRAC -0.09 -0.01  0.21 BFAC -12.62
   SOLU ENSEMBLE helix_ala VRMS DELTA -0.9787 #RMSD  1.00 #VRMS  0.15

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 3 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          36.529                36.600                 0.071

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  333.0   11.5   81.2 FRAC -0.09 -0.01  0.21 BFAC -13.06
   SOLU ENSEMBLE helix_ala VRMS DELTA -0.9787 #RMSD  1.00 #VRMS  0.15


   REFINING SET #5 OF 9
   --------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  324.9   11.8   22.7 FRAC -0.04  0.01 -0.20 BFAC -12.51
   SOLU ENSEMBLE helix_ala VRMS DELTA -0.9787 #RMSD  1.00 #VRMS  0.15

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 2 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          36.713                36.857                 0.144

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  324.0   12.2   23.4 FRAC -0.04  0.02 -0.20 BFAC -14.05
   SOLU ENSEMBLE helix_ala VRMS DELTA -0.9787 #RMSD  1.00 #VRMS  0.15


   REFINING SET #6 OF 9
   --------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER   29.8   11.6  118.7 FRAC  0.04 -0.00 -0.16 BFAC -11.67
   SOLU ENSEMBLE helix_ala VRMS DELTA -0.9787 #RMSD  1.00 #VRMS  0.15

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 1 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          34.969                34.990                 0.021

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER   29.6   11.7  119.1 FRAC  0.04 -0.00 -0.16 BFAC -12.00
   SOLU ENSEMBLE helix_ala VRMS DELTA -0.9787 #RMSD  1.00 #VRMS  0.15


   REFINING SET #7 OF 9
   --------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  332.9   10.7  279.7 FRAC -0.06 -0.00  0.27 BFAC -11.57
   SOLU ENSEMBLE helix_ala VRMS DELTA -0.9787 #RMSD  1.00 #VRMS  0.15

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 1 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          34.820                34.821                 0.001

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  332.9   10.7  279.7 FRAC -0.06 -0.00  0.27 BFAC -11.58
   SOLU ENSEMBLE helix_ala VRMS DELTA -0.9787 #RMSD  1.00 #VRMS  0.15


   REFINING SET #8 OF 9
   --------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  330.0   11.7   82.4 FRAC  0.21  0.00  0.20 BFAC -11.25
   SOLU ENSEMBLE helix_ala VRMS DELTA -0.9787 #RMSD  1.00 #VRMS  0.15

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 3 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          35.103                35.317                 0.214

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  329.4   11.6   81.5 FRAC  0.21  0.00  0.20 BFAC -12.34
   SOLU ENSEMBLE helix_ala VRMS DELTA -0.9787 #RMSD  1.00 #VRMS  0.15


   REFINING SET #9 OF 9
   --------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  335.5   12.1  111.3 FRAC -0.03 -0.01 -0.17 BFAC -7.31
   SOLU ENSEMBLE helix_ala VRMS DELTA -0.9787 #RMSD  1.00 #VRMS  0.15

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 4 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          35.923                38.153                 2.230

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE helix_ala EULER  331.4   11.5  114.9 FRAC -0.03 -0.00 -0.17 BFAC -14.11
   SOLU ENSEMBLE helix_ala VRMS DELTA -0.9787 #RMSD  1.00 #VRMS  0.15


   Mean and Sigma after Refinement (for Purge)
   -------------------------------------------
   Scoring 504 randomly sampled orientations and translations

   Spreading calculation onto 23 threads.
   Generating Statistics
   0% 100%
   |==| DONE

   Mean Score for Purge before Refinement:  17.44
   Mean Score for Purge after Refinement :  16.89

$TABLE : Refinement After Placing Component #1 (helix_ala  2.92A) :
$GRAPHS 
:Solution Number vs LL-gain:AUTO:1,2,3: :Solution Number vs R-value:AUTO:1,4,5: 
$$
Number final-LLG initial-LLG final-R initial-R
$$ loggraph $$
1      40.46      39.80 58.84 59.03
2      39.18      38.99 58.25 58.25
3      39.36      38.95 59.05 58.98
4      38.87      38.59 58.60 58.67
5      39.56      38.51 57.86 58.11
6      36.98      36.98 58.89 58.94
7      36.81      36.81 58.84 58.84
8      37.93      36.68 58.52 58.57
9      40.48      36.30 57.00 57.42
$$
---------------
FIND DUPLICATES
---------------

   Check for nearly equivalent solutions
   Spreading calculation onto 23 threads.
   Calculating Duplicates for 9 solutions
   0% 100%
   |==| DONE

   No duplicate solutions found

---------------------
FIND TEMPLATE MATCHES
---------------------

   No Template Solution(s) for comparison


---------------
PURGE SELECTION
---------------

   Purge solutions according to highest LLG from Refinement
   --------------------------------------------------------
   Top LLG (all) = 40.4775
   Top LLG (packs) = 40.4775
   Mean LLG = 16.8863
   Percent used for purge = 75%
      Cutoff for acceptance = 34.6
   Number used for purge  = 50
      Cutoff for acceptance = 36.8
   Overall cutoff for acceptance (excluding high TFZ) = 36.8
   Number of solutions stored before purge = 9
   Number of solutions stored (deleted) after purge = 9 (0)


---------------
TFZ EQUIVALENTS
---------------

   Refined TFZ equivalents calculated
   1 top TFZ equivalents calculated

   SOLUTION #1 OF 9
   ----------------
   TFZ equivalent calculation #1 of 1
      TOPFILE

   Spreading calculation onto 23 threads.
   Generating Statistics
   0%                     100%
   |=======================| DONE

   Mean Score (Sigma):       16.70   (4.87)
   Refined TF/TFZ equivalent = 40.48/  4.9 (Unrefined TF/TFZ=36.30/  3.6)


-------
RESULTS
-------

   Refinement Table (Sorted)
   -------------------------
   Refinement to full resolution
   #out =#out #in =T (Start LLG Rval TFZ) (Refined LLG Rval TFZ==) SpaceGroup  Cntrst
   Top1 ---   9            36.3 57.4 n/a          40.5 57.0  4.9   C 1 2 1      1.001
   2    ---   1            39.8 59.0 n/a          40.5 58.8  n/a   C 1 2 1      1.040
   3    ---   5            38.5 58.1 n/a          39.6 57.9  n/a   C 1 2 1      1.009
   4    ---   3            39.0 59.0 n/a          39.4 59.0  n/a   C 1 2 1      1.008
   5    ---   2            39.0 58.3 n/a          39.2 58.2  n/a   C 1 2 1      1.014
   6    ---   4            38.6 58.7 n/a          38.9 58.6  n/a   C 1 2 1      1.045
   7    ---   8            36.7 58.6 n/a          37.9 58.5  n/a   C 1 2 1      1.047
   8    ---   6            37.0 58.9 n/a          37.0 58.9  n/a   C 1 2 1      1.008
   9    ---   7            36.8 58.8 n/a          36.8 58.8  n/a   C 1 2 1       n/a 

   Refinement Table (Variance Ranges)
   ----------------------------------
   Range of delta-VRMS and VRMS given over current solution list (9 solution(s))
   Ensemble        Model#   RMS   Delta-VRMS min/max  (VRMS min/max)
   helix_ala            1   1.000   -0.979/-0.979    ( 0.146/ 0.146 )


------------
OUTPUT FILES
------------

   Calculation of Map Coefficients
   -------------------------------
   1 top map coefficients calculated

   Map coefficient calculated for top solution #1
   SOLU SPAC C 1 2 1
   SOLU 6DIM ENSE helix_ala EULER  331.4   11.5  114.9 FRAC -0.03 -0.00 -0.17 BFAC -14.11 #TFZ==4.9
   SOLU ENSEMBLE helix_ala VRMS DELTA -0.9787 #RMSD  1.00 #VRMS  0.15

   No files output


CPU Time: 0 days 0 hrs 0 mins 47.02 secs (     47.02 secs)
Finished: Thu Sep 30 04:36:48 2021

corrupted double-linked list
Aborted (core dumped)
Temporary folder contents:
/tmp/tmpkqZl03:
	PHASER.log
Cleaning up temporary folder...done


Back to test
Full traceback:
Traceback (most recent call last):
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_runner.py", line 1048, in run_multiple_tests
    resfilesuffix = params.suffix
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_runner.py", line 181, in run_test_and_compare
    resfilesuffix = resfilesuffix,
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_runner.py", line 116, in execute_test
    resfilesuffix = resfilesuffix,
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_run_engine.py", line 176, in script
    raise RuntimeError("Error exit from process, errorcode %s" % process.returncode)
RuntimeError: Error exit from process, errorcode 134


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ERROR: Error exit from process, errorcode 134
Test 33: tst_btf_beta_blip - python
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

translation_function
symmetry_information
solutions

translation_function

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_Z_SCORES
    

  
ZScore(value = 21.0128)

    

  
ZScore(value = 21.0128)

    
OK
  
  

    
SOLUTION_SCORES
    

  
TFScore(value = -2966.257)

    

  
TFScore(value = -2966.257)

    
OK
  

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symmetry_information

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
UNIT_CELL
    

  
CellAxis(value = 75.110)
  
CellAxis(value = 75.110)
  
CellAxis(value = 133.310)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 120.00)

    

  
CellAxis(value = 75.110)
  
CellAxis(value = 75.110)
  
CellAxis(value = 133.310)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 120.00)

    
OK
  

Back to comparisons
solutions

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_ANNOTATIONS
    

  
Text(value =  RFZ=3.0 TFZ=21.0)

    

  
Text(value =  RFZ=3.0 TFZ=21.0)

    
OK
  
  

    
SOLUTION_COUNT
    
Integer(value = 1)
    
Integer(value = 1)
    
OK
  
  

    
BFACTOR
    

  

  
Bfactor(value = 0.000)
  
Bfactor(value = 0.000)


    

  

  
Bfactor(value = 0.000)
  
Bfactor(value = 0.000)


    
OK
  
  

    
SOLUTIONS
    

  
Solution(
  Molecule(
    ensemble = beta,
    rotation = ( 200.81, 41.34, 183.91 ),
    translation = ( -0.49538, -0.15798, -0.28099 )
    )
,
  Molecule(
    ensemble = blip,
    rotation = ( 43.70, 77.30, 116.70 ),
    translation = ( 0.91165, 0.31120, 0.90693 )
    )

)

    

  
Solution(
  Molecule(
    ensemble = beta,
    rotation = ( 200.81, 41.34, 183.91 ),
    translation = ( -0.49538, -0.15798, -0.28099 )
    )
,
  Molecule(
    ensemble = blip,
    rotation = ( 43.70, 77.30, 116.70 ),
    translation = ( 0.91165, 0.31120, 0.90693 )
    )

)

    
OK
  

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Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 34: tst_btf_beta_blip - script
Jump to output, comparison, summary or Overview of tests
Output:


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Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

translation_function
symmetry_information
solutions

translation_function

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_Z_SCORES
    

  
ZScore(value = 21.0128)

    

  
ZScore(value = 21.0100)

    
OK
  
  

    
SOLUTION_SCORES
    

  
TFScore(value = -2966.257)

    

  
TFScore(value = -2966.260)

    
OK
  

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symmetry_information

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
UNIT_CELL
    

  
CellAxis(value = 75.110)
  
CellAxis(value = 75.110)
  
CellAxis(value = 133.310)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 120.00)

    

  
CellAxis(value = 75.110)
  
CellAxis(value = 75.110)
  
CellAxis(value = 133.310)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 120.00)

    
OK
  

Back to comparisons
solutions

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_ANNOTATIONS
    

  
Text(value =  RFZ=3.0 TFZ=21.0)

    

  
Text(value =  RFZ=3.0 TFZ=21.0)

    
OK
  
  

    
SOLUTION_COUNT
    
Integer(value = 1)
    
Integer(value = 1)
    
OK
  
  

    
BFACTOR
    

  

  
Bfactor(value = 0.000)
  
Bfactor(value = 0.000)


    

  

  
Bfactor(value = 0.000)
  
Bfactor(value = 0.000)


    
OK
  
  

    
SOLUTIONS
    

  
Solution(
  Molecule(
    ensemble = beta,
    rotation = ( 200.81, 41.34, 183.91 ),
    translation = ( -0.49538, -0.15798, -0.28099 )
    )
,
  Molecule(
    ensemble = blip,
    rotation = ( 43.70, 77.30, 116.70 ),
    translation = ( 0.91165, 0.31120, 0.90693 )
    )

)

    

  
Solution(
  Molecule(
    ensemble = beta,
    rotation = ( 200.81, 41.34, 183.91 ),
    translation = ( -0.49538, -0.15798, -0.28099 )
    )
,
  Molecule(
    ensemble = blip,
    rotation = ( 43.70, 77.30, 116.70 ),
    translation = ( 0.91165, 0.31120, 0.90693 )
    )

)

    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 35: tst_prune_T0283 - python
Jump to output, comparison, summary or Overview of tests
Output:


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Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

pruning_fraction
pruning_scores

pruning_fraction

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
PRUNE_FILE
    
Text(value = PHASER.1.pdb)
    
Text(value = PHASER.1.pdb)
    
OK
  
  

    
PRUNE_FRACTION
    
PruneFraction(value = 0.913)
    
PruneFraction(value = 0.913)
    
OK
  

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pruning_scores

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
PRUNING_SCORE
    

  
LLGScore(value = 47.95)

    

  
LLGScore(value = 47.95)

    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 3, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

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OK
Test 36: tst_prune_T0283 - script
Jump to output, comparison, summary or Overview of tests
Output:


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Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

pruning_fraction
pruning_scores

pruning_fraction

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
PRUNE_FILE
    
Text(value = PHASER.1.pdb)
    
Text(value = PHASER.1.pdb)
    
OK
  
  

    
PRUNE_FRACTION
    
PruneFraction(value = 0.913)
    
PruneFraction(value = 0.913)
    
OK
  

Back to comparisons
pruning_scores

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
PRUNING_SCORE
    

  
LLGScore(value = 47.95)

    

  
LLGScore(value = 47.90)

    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 3, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

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OK
Test 37: tst_brf_toxd - python
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Output:


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Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

rotation_function
symmetry_information

rotation_function

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_COUNT
    
Integer(value = 7)
    
Integer(value = 7)
    
OK
  
  

    
SOLUTION_ANNOTATION
    
Text(value = )
    
Text(value = )
    
OK
  
  

    
SOLUTIONS
    

  
RotationPeak(
  ensemble = toxd,
  rotation = ( 128.61, 34.92, 230.70 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 144.04, 21.96, 201.93 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 119.57, 15.48, 229.10 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 77.86, 41.40, 129.13 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 109.99, 47.88, 220.61 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 138.14, 41.40, 223.09 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 137.04, 21.96, 194.93 )
  )

    

  
RotationPeak(
  ensemble = toxd,
  rotation = ( 128.61, 34.92, 230.70 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 144.04, 21.96, 201.93 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 119.57, 15.48, 229.10 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 77.86, 41.40, 129.13 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 109.99, 47.88, 220.61 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 138.14, 41.40, 223.09 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 137.04, 21.96, 194.93 )
  )

    
OK
  
  

    
SOLUTION_SCORES
    

  
RFScore(value = 11.466)
  
RFScore(value = 9.680)
  
RFScore(value = 6.676)
  
RFScore(value = 5.512)
  
RFScore(value = 2.138)
  
RFScore(value = 1.740)
  
RFScore(value = 1.113)

    

  
RFScore(value = 11.466)
  
RFScore(value = 9.680)
  
RFScore(value = 6.676)
  
RFScore(value = 5.512)
  
RFScore(value = 2.138)
  
RFScore(value = 1.740)
  
RFScore(value = 1.113)

    
OK
  
  

    
SOLUTION_Z_SCORES
    

  
ZScore(value = 4.3298)
  
ZScore(value = 4.1446)
  
ZScore(value = 3.8330)
  
ZScore(value = 3.7122)
  
ZScore(value = 3.3621)
  
ZScore(value = 3.3209)
  
ZScore(value = 3.2558)

    

  
ZScore(value = 4.3298)
  
ZScore(value = 4.1446)
  
ZScore(value = 3.8330)
  
ZScore(value = 3.7122)
  
ZScore(value = 3.3621)
  
ZScore(value = 3.3209)
  
ZScore(value = 3.2558)

    
OK
  

Back to comparisons
symmetry_information

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
UNIT_CELL
    

  
CellAxis(value = 73.582)
  
CellAxis(value = 38.733)
  
CellAxis(value = 23.189)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    

  
CellAxis(value = 73.582)
  
CellAxis(value = 38.733)
  
CellAxis(value = 23.189)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 6, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 38: tst_brf_toxd - script
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

rotation_function
symmetry_information

rotation_function

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_COUNT
    
Integer(value = 7)
    
Integer(value = 7)
    
OK
  
  

    
SOLUTION_ANNOTATION
    
Text(value = )
    
Text(value = )
    
OK
  
  

    
SOLUTIONS
    

  
RotationPeak(
  ensemble = toxd,
  rotation = ( 128.61, 34.92, 230.70 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 144.04, 21.96, 201.93 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 119.57, 15.48, 229.10 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 77.86, 41.40, 129.13 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 109.99, 47.88, 220.61 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 138.14, 41.40, 223.09 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 137.04, 21.96, 194.93 )
  )

    

  
RotationPeak(
  ensemble = toxd,
  rotation = ( 128.61, 34.92, 230.70 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 144.04, 21.96, 201.93 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 119.57, 15.48, 229.10 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 77.86, 41.40, 129.13 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 109.99, 47.88, 220.61 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 138.14, 41.40, 223.09 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 137.04, 21.96, 194.93 )
  )

    
OK
  
  

    
SOLUTION_SCORES
    

  
RFScore(value = 11.466)
  
RFScore(value = 9.680)
  
RFScore(value = 6.676)
  
RFScore(value = 5.512)
  
RFScore(value = 2.138)
  
RFScore(value = 1.740)
  
RFScore(value = 1.113)

    

  
RFScore(value = 11.470)
  
RFScore(value = 9.680)
  
RFScore(value = 6.680)
  
RFScore(value = 5.510)
  
RFScore(value = 2.140)
  
RFScore(value = 1.740)
  
RFScore(value = 1.110)

    
OK
  
  

    
SOLUTION_Z_SCORES
    

  
ZScore(value = 4.3298)
  
ZScore(value = 4.1446)
  
ZScore(value = 3.8330)
  
ZScore(value = 3.7122)
  
ZScore(value = 3.3621)
  
ZScore(value = 3.3209)
  
ZScore(value = 3.2558)

    

  
ZScore(value = 4.3300)
  
ZScore(value = 4.1400)
  
ZScore(value = 3.8300)
  
ZScore(value = 3.7100)
  
ZScore(value = 3.3600)
  
ZScore(value = 3.3200)
  
ZScore(value = 3.2600)

    
OK
  

Back to comparisons
symmetry_information

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
UNIT_CELL
    

  
CellAxis(value = 73.582)
  
CellAxis(value = 38.733)
  
CellAxis(value = 23.189)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    

  
CellAxis(value = 73.580)
  
CellAxis(value = 38.730)
  
CellAxis(value = 23.190)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 6, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 39: tst_rnp_toxd - python
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Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

auto_pak_rnp_function
vrms_refinement
symmetry_information
solutions

auto_pak_rnp_function

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_SCORES
    

  
LLGScore(value = 62.15)

    

  
LLGScore(value = 62.15)

    
OK
  

Back to comparisons
vrms_refinement

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
VRMS_ENSEMBLE
    

  

  
Text(value = toxd)


    

  

  
Text(value = toxd)


    
OK
  
  

    
VRMS_RMS
    

  

  

  
VRMS(value = 1.136)
  
VRMS(value = 1.120)



    

  

  

  
VRMS(value = 1.136)
  
VRMS(value = 1.120)



    
OK
  

Back to comparisons
symmetry_information

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
UNIT_CELL
    

  
CellAxis(value = 73.582)
  
CellAxis(value = 38.733)
  
CellAxis(value = 23.189)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    

  
CellAxis(value = 73.582)
  
CellAxis(value = 38.733)
  
CellAxis(value = 23.189)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    
OK
  

Back to comparisons
solutions

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_ANNOTATIONS
    

  
Text(value =  RFZ=3.7 TFZ=8.1 LLG=62 TFZ==8.2)

    

  
Text(value =  RFZ=3.7 TFZ=8.1 LLG=62 TFZ==8.2)

    
OK
  
  

    
SOLUTION_COUNT
    
Integer(value = 1)
    
Integer(value = 1)
    
OK
  
  

    
BFACTOR
    

  

  
Bfactor(value = 2.756)


    

  

  
Bfactor(value = 2.756)


    
OK
  
  

    
SOLUTIONS
    

  
Solution(
  Molecule(
    ensemble = toxd,
    rotation = ( 142.59, 22.50, 202.63 ),
    translation = ( 0.88160, 0.19895, 0.92854 )
    )

)

    

  
Solution(
  Molecule(
    ensemble = toxd,
    rotation = ( 142.59, 22.50, 202.63 ),
    translation = ( 0.88160, 0.19895, 0.92854 )
    )

)

    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 8, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 40: tst_rnp_toxd - script
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

auto_pak_rnp_function
symmetry_information
solutions
vrms_refinement

auto_pak_rnp_function

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_SCORES
    

  
LLGScore(value = 62.15)

    

  
LLGScore(value = 62.20)

    
OK
  

Back to comparisons
symmetry_information

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
UNIT_CELL
    

  
CellAxis(value = 73.582)
  
CellAxis(value = 38.733)
  
CellAxis(value = 23.189)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    

  
CellAxis(value = 73.580)
  
CellAxis(value = 38.730)
  
CellAxis(value = 23.190)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    
OK
  

Back to comparisons
solutions

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_ANNOTATIONS
    

  
Text(value =  RFZ=3.7 TFZ=8.1 LLG=62 TFZ==8.2)

    

  
Text(value =  RFZ=3.7 TFZ=8.1 LLG=62 TFZ==8.2)

    
OK
  
  

    
SOLUTION_COUNT
    
Integer(value = 1)
    
Integer(value = 1)
    
OK
  
  

    
BFACTOR
    

  

  
Bfactor(value = 2.756)


    

  

  
Bfactor(value = 2.756)


    
OK
  
  

    
SOLUTIONS
    

  
Solution(
  Molecule(
    ensemble = toxd,
    rotation = ( 142.59, 22.50, 202.63 ),
    translation = ( 0.88160, 0.19895, 0.92854 )
    )

)

    

  
Solution(
  Molecule(
    ensemble = toxd,
    rotation = ( 142.59, 22.50, 202.63 ),
    translation = ( 0.88160, 0.19895, 0.92854 )
    )

)

    
OK
  

Back to comparisons
vrms_refinement

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
VRMS_RMS
    

  

  

  
VRMS(value = 1.136)
  
VRMS(value = 1.120)



    

  

  

  
VRMS(value = 1.139)
  
VRMS(value = 1.121)



    
OK
  
  

    
VRMS_ENSEMBLE
    

  

  
Text(value = toxd)


    

  

  
Text(value = toxd)


    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 8, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 41: tst_brf_beta_blip - python
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

rotation_function
symmetry_information

rotation_function

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_COUNT
    
Integer(value = 1)
    
Integer(value = 1)
    
OK
  
  

    
SOLUTION_ANNOTATION
    
Text(value = )
    
Text(value = )
    
OK
  
  

    
SOLUTIONS
    

  
RotationPeak(
  ensemble = beta,
  rotation = ( 83.66, 40.00, 182.15 )
  )

    

  
RotationPeak(
  ensemble = beta,
  rotation = ( 83.66, 40.00, 182.15 )
  )

    
OK
  
  

    
SOLUTION_SCORES
    

  
RFScore(value = 85.691)

    

  
RFScore(value = 85.691)

    
OK
  
  

    
SOLUTION_Z_SCORES
    

  
ZScore(value = 10.0419)

    

  
ZScore(value = 10.0419)

    
OK
  

Back to comparisons
symmetry_information

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
UNIT_CELL
    

  
CellAxis(value = 75.110)
  
CellAxis(value = 75.110)
  
CellAxis(value = 133.310)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 120.00)

    

  
CellAxis(value = 75.110)
  
CellAxis(value = 75.110)
  
CellAxis(value = 133.310)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 120.00)

    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 6, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 42: tst_brf_beta_blip - script
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

rotation_function
symmetry_information

rotation_function

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_COUNT
    
Integer(value = 1)
    
Integer(value = 1)
    
OK
  
  

    
SOLUTION_ANNOTATION
    
Text(value = )
    
Text(value = )
    
OK
  
  

    
SOLUTIONS
    

  
RotationPeak(
  ensemble = beta,
  rotation = ( 83.66, 40.00, 182.15 )
  )

    

  
RotationPeak(
  ensemble = beta,
  rotation = ( 83.66, 40.00, 182.15 )
  )

    
OK
  
  

    
SOLUTION_SCORES
    

  
RFScore(value = 85.691)

    

  
RFScore(value = 85.690)

    
OK
  
  

    
SOLUTION_Z_SCORES
    

  
ZScore(value = 10.0419)

    

  
ZScore(value = 10.0400)

    
OK
  

Back to comparisons
symmetry_information

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
UNIT_CELL
    

  
CellAxis(value = 75.110)
  
CellAxis(value = 75.110)
  
CellAxis(value = 133.310)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 120.00)

    

  
CellAxis(value = 75.110)
  
CellAxis(value = 75.110)
  
CellAxis(value = 133.310)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 120.00)

    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 6, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 43: tstb_ep_rusti_s - python
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

sad_specific_statistics
ep_dataset_statistics
ep_phasing_statistics

sad_specific_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
F_PRIME
    

  
ScatteringFactor(value = 0.29)
  
ScatteringFactor(value = -9.09)

    

  
ScatteringFactor(value = 0.29)
  
ScatteringFactor(value = -9.09)

    
OK
  
  

    
F_ELEM
    

  
Text(value = S)
  
Text(value = CU)

    

  
Text(value = S)
  
Text(value = CU)

    
OK
  
  

    
F_DOUBLEPRIME
    

  
ScatteringFactor(value = 0.45)
  
ScatteringFactor(value = 3.93)

    

  
ScatteringFactor(value = 0.45)
  
ScatteringFactor(value = 3.93)

    
OK
  

Back to comparisons
ep_dataset_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
MILLER_SIZE
    
Integer(value = 7898)
    
Integer(value = 7898)
    
OK
  

Back to comparisons
ep_phasing_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
LLG
    
SAD_LLG(value = -693.3)
    
SAD_LLG(value = -693.3)
    
OK
  
  

    
ATOMS_COUNT
    
Integer(value = 3)
    
Integer(value = 3)
    
OK
  
  

    
ATOMS
    
AtomSet(
  Atom CU(
    coords = ( 0.15014, 0.24956, 0.42650 ),
    occ = 1.033,
    uiso = -1.0000
    )
,
  Atom S(
    coords = ( 0.16041, 0.21825, 0.37626 ),
    occ = 1.340,
    uiso = 0.1250
    )
,
  Atom S(
    coords = ( 0.08098, 0.26583, 0.42188 ),
    occ = 1.039,
    uiso = 0.1355
    )

)
    
AtomSet(
  Atom CU(
    coords = ( 0.15014, 0.24956, 0.42650 ),
    occ = 1.033,
    uiso = -1.0000
    )
,
  Atom S(
    coords = ( 0.16041, 0.21825, 0.37626 ),
    occ = 1.340,
    uiso = 0.1250
    )
,
  Atom S(
    coords = ( 0.08098, 0.26583, 0.42188 ),
    occ = 1.039,
    uiso = 0.1355
    )

)
    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 44: tstb_ep_rusti_s - script
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

sad_specific_statistics
ep_dataset_statistics
ep_phasing_statistics

sad_specific_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
F_PRIME
    

  
ScatteringFactor(value = 0.29)
  
ScatteringFactor(value = -9.09)

    

  
ScatteringFactor(value = 0.29)
  
ScatteringFactor(value = -9.09)

    
OK
  
  

    
F_ELEM
    

  
Text(value = S)
  
Text(value = CU)

    

  
Text(value = S)
  
Text(value = CU)

    
OK
  
  

    
F_DOUBLEPRIME
    

  
ScatteringFactor(value = 0.45)
  
ScatteringFactor(value = 3.93)

    

  
ScatteringFactor(value = 0.45)
  
ScatteringFactor(value = 3.93)

    
OK
  

Back to comparisons
ep_dataset_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
MILLER_SIZE
    
Integer(value = 7898)
    
Integer(value = 7898)
    
OK
  

Back to comparisons
ep_phasing_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
LLG
    
SAD_LLG(value = -693.3)
    
SAD_LLG(value = -693.3)
    
OK
  
  

    
ATOMS_COUNT
    
Integer(value = 3)
    
Integer(value = 3)
    
OK
  
  

    
ATOMS
    
AtomSet(
  Atom CU(
    coords = ( 0.15014, 0.24956, 0.42650 ),
    occ = 1.033,
    uiso = -1.0000
    )
,
  Atom S(
    coords = ( 0.16041, 0.21825, 0.37626 ),
    occ = 1.340,
    uiso = 0.1250
    )
,
  Atom S(
    coords = ( 0.08098, 0.26583, 0.42188 ),
    occ = 1.039,
    uiso = 0.1355
    )

)
    
AtomSet(
  Atom CU(
    coords = ( 0.15010, 0.24960, 0.42650 ),
    occ = 1.030,
    uiso = -1.0000
    )
,
  Atom S(
    coords = ( 0.16040, 0.21830, 0.37630 ),
    occ = 1.340,
    uiso = 0.1250
    )
,
  Atom S(
    coords = ( 0.08100, 0.26580, 0.42190 ),
    occ = 1.040,
    uiso = 0.1355
    )

)
    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 45: tst_anisotropy_beta_blip - python
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

mr_dataset_statistics
symmetry_information
anisotropy_correction

mr_dataset_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SIGF_SIZE
    
Integer(value = 8830)
    
Integer(value = 8830)
    
OK
  
  

    
F_SIZE
    
Integer(value = 8830)
    
Integer(value = 8830)
    
OK
  
  

    
MILLER_SIZE
    
Integer(value = 8830)
    
Integer(value = 8830)
    
OK
  

Back to comparisons
symmetry_information

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
UNIT_CELL
    

  
CellAxis(value = 75.110)
  
CellAxis(value = 75.110)
  
CellAxis(value = 133.310)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 120.00)

    

  
CellAxis(value = 75.110)
  
CellAxis(value = 75.110)
  
CellAxis(value = 133.310)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 120.00)

    
OK
  

Back to comparisons
anisotropy_correction

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
WILSON_K
    
WilsonK(value = 20.97425)
    
WilsonK(value = 20.97425)
    
OK
  
  

    
WILSON_B
    
WilsonB(value = 57.301885)
    
WilsonB(value = 57.301885)
    
OK
  
  

    
PRINCIPAL_COMPONENTS
    

  
AnisotropyPrincipalComponent(value = 10.73040)
  
AnisotropyPrincipalComponent(value = 10.73040)
  
AnisotropyPrincipalComponent(value = -21.46080)

    

  
AnisotropyPrincipalComponent(value = 10.73040)
  
AnisotropyPrincipalComponent(value = 10.73040)
  
AnisotropyPrincipalComponent(value = -21.46080)

    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 46: tst_anisotropy_beta_blip - script
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

mr_dataset_statistics
symmetry_information
anisotropy_correction

mr_dataset_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SIGF_SIZE
    
Integer(value = 8830)
    
Integer(value = 8830)
    
OK
  
  

    
F_SIZE
    
Integer(value = 8830)
    
Integer(value = 8830)
    
OK
  
  

    
MILLER_SIZE
    
Integer(value = 8830)
    
Integer(value = 8830)
    
OK
  

Back to comparisons
symmetry_information

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
UNIT_CELL
    

  
CellAxis(value = 75.110)
  
CellAxis(value = 75.110)
  
CellAxis(value = 133.310)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 120.00)

    

  
CellAxis(value = 75.110)
  
CellAxis(value = 75.110)
  
CellAxis(value = 133.310)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 120.00)

    
OK
  

Back to comparisons
anisotropy_correction

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
WILSON_K
    
WilsonK(value = 20.97425)
    
WilsonK(value = 20.97420)
    
OK
  
  

    
WILSON_B
    
WilsonB(value = 57.301885)
    
WilsonB(value = 57.301900)
    
OK
  
  

    
PRINCIPAL_COMPONENTS
    

  
AnisotropyPrincipalComponent(value = 10.73040)
  
AnisotropyPrincipalComponent(value = 10.73040)
  
AnisotropyPrincipalComponent(value = -21.46080)

    

  
AnisotropyPrincipalComponent(value = 10.73000)
  
AnisotropyPrincipalComponent(value = 10.73000)
  
AnisotropyPrincipalComponent(value = -21.46100)

    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 47: tst_anisotropy_iod - python
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

mr_dataset_statistics
symmetry_information
anisotropy_correction

mr_dataset_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SIGF_SIZE
    
Integer(value = 10038)
    
Integer(value = 10038)
    
OK
  
  

    
F_SIZE
    
Integer(value = 10038)
    
Integer(value = 10038)
    
OK
  
  

    
MILLER_SIZE
    
Integer(value = 10038)
    
Integer(value = 10038)
    
OK
  

Back to comparisons
symmetry_information

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
UNIT_CELL
    

  
CellAxis(value = 78.110)
  
CellAxis(value = 78.110)
  
CellAxis(value = 37.010)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    

  
CellAxis(value = 78.110)
  
CellAxis(value = 78.110)
  
CellAxis(value = 37.010)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    
OK
  

Back to comparisons
anisotropy_correction

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
WILSON_K
    
WilsonK(value = 1.21937)
    
WilsonK(value = 1.21937)
    
OK
  
  

    
WILSON_B
    
WilsonB(value = 18.937018)
    
WilsonB(value = 18.937018)
    
OK
  
  

    
PRINCIPAL_COMPONENTS
    

  
AnisotropyPrincipalComponent(value = 1.19925)
  
AnisotropyPrincipalComponent(value = 1.19925)
  
AnisotropyPrincipalComponent(value = -2.39850)

    

  
AnisotropyPrincipalComponent(value = 1.19925)
  
AnisotropyPrincipalComponent(value = 1.19925)
  
AnisotropyPrincipalComponent(value = -2.39850)

    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 48: tst_anisotropy_iod - script
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

mr_dataset_statistics
symmetry_information
anisotropy_correction

mr_dataset_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SIGF_SIZE
    
Integer(value = 10038)
    
Integer(value = 10038)
    
OK
  
  

    
F_SIZE
    
Integer(value = 10038)
    
Integer(value = 10038)
    
OK
  
  

    
MILLER_SIZE
    
Integer(value = 10038)
    
Integer(value = 10038)
    
OK
  

Back to comparisons
symmetry_information

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
UNIT_CELL
    

  
CellAxis(value = 78.110)
  
CellAxis(value = 78.110)
  
CellAxis(value = 37.010)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    

  
CellAxis(value = 78.110)
  
CellAxis(value = 78.110)
  
CellAxis(value = 37.010)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    
OK
  

Back to comparisons
anisotropy_correction

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
WILSON_K
    
WilsonK(value = 1.21937)
    
WilsonK(value = 1.21937)
    
OK
  
  

    
WILSON_B
    
WilsonB(value = 18.937018)
    
WilsonB(value = 18.937000)
    
OK
  
  

    
PRINCIPAL_COMPONENTS
    

  
AnisotropyPrincipalComponent(value = 1.19925)
  
AnisotropyPrincipalComponent(value = 1.19925)
  
AnisotropyPrincipalComponent(value = -2.39850)

    

  
AnisotropyPrincipalComponent(value = 1.19900)
  
AnisotropyPrincipalComponent(value = 1.19900)
  
AnisotropyPrincipalComponent(value = -2.39900)

    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 49: tst_ep_partial_ix_iod - python
ERROR
Jump to output, traceback or message
Output:
Temporary folder: /tmp/tmpfyFaZb
# Running test with phaser python interface using crash-safe mode #
Temporary folder contents:
/tmp/tmpfyFaZb:
	tmppOLJOJ.in.pickle
	tmprC2YFI.out.pickle
Cleaning up temporary folder...done


Back to test
Full traceback:
Traceback (most recent call last):
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_runner.py", line 1048, in run_multiple_tests
    resfilesuffix = params.suffix
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_runner.py", line 181, in run_test_and_compare
    resfilesuffix = resfilesuffix,
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_runner.py", line 116, in execute_test
    resfilesuffix = resfilesuffix,
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_run_engine.py", line 68, in python_safe
    raise RuntimeError( "Error exit from process")
RuntimeError: Error exit from process


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ERROR: Error exit from process
Test 50: tst_ep_partial_ix_iod - script
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

sad_specific_statistics
ep_dataset_statistics
ep_phasing_statistics

sad_specific_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
F_PRIME
    

  
ScatteringFactor(value = 0.00)

    

  
ScatteringFactor(value = 0.00)

    
OK
  
  

    
F_ELEM
    

  
Text(value = AX)

    

  
Text(value = AX)

    
OK
  
  

    
F_DOUBLEPRIME
    

  
ScatteringFactor(value = 1.00)

    

  
ScatteringFactor(value = 1.00)

    
OK
  

Back to comparisons
ep_dataset_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
MILLER_SIZE
    
Integer(value = 10038)
    
Integer(value = 10038)
    
OK
  

Back to comparisons
ep_phasing_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
LLG
    
SAD_LLG(value = -1181.7)
    
SAD_LLG(value = -1181.7)
    
OK
  
  

    
ATOMS_COUNT
    
Integer(value = 15)
    
Integer(value = 15)
    
OK
  
  

    
ATOMS
    
AtomSet(
  Atom AX(
    coords = ( 0.15710, 0.15710, 0.50000 ),
    occ = 4.340,
    uiso = 0.3023
    )
,
  Atom AX(
    coords = ( 0.00653, 0.30365, 0.65015 ),
    occ = 4.881,
    uiso = 0.3320
    )
,
  Atom AX(
    coords = ( 0.09203, 0.13116, 0.39693 ),
    occ = 3.309,
    uiso = 0.2830
    )
,
  Atom AX(
    coords = ( -0.10223, 0.39095, 0.27975 ),
    occ = 1.906,
    uiso = 0.2395
    )
,
  Atom AX(
    coords = ( -0.04029, 0.07868, -0.08180 ),
    occ = 2.168,
    uiso = 0.3426
    )
,
  Atom AX(
    coords = ( 0.04166, 0.26138, -0.17337 ),
    occ = 2.755,
    uiso = 0.3698
    )
,
  Atom AX(
    coords = ( 0.14909, 0.37453, 0.43343 ),
    occ = 1.965,
    uiso = 0.3238
    )
,
  Atom AX(
    coords = ( 0.13334, 0.45934, 0.36536 ),
    occ = 2.503,
    uiso = 0.3462
    )
,
  Atom AX(
    coords = ( -0.12044, 0.24521, 0.41372 ),
    occ = 0.866,
    uiso = 0.2114
    )
,
  Atom AX(
    coords = ( -0.14328, 0.20118, 0.65559 ),
    occ = 1.187,
    uiso = 0.3027
    )
,
  Atom AX(
    coords = ( -0.14751, 0.13910, -0.13378 ),
    occ = 0.976,
    uiso = 0.2949
    )
,
  Atom AX(
    coords = ( -0.04295, 0.30696, -0.01706 ),
    occ = 1.070,
    uiso = 0.3114
    )
,
  Atom AX(
    coords = ( 0.13155, 0.16992, 0.15431 ),
    occ = 0.670,
    uiso = 0.2379
    )
,
  Atom AX(
    coords = ( 0.06959, 0.17144, -0.02054 ),
    occ = 0.707,
    uiso = 0.2495
    )
,
  Atom AX(
    coords = ( 0.03465, 0.47678, 0.53411 ),
    occ = 0.901,
    uiso = 0.3207
    )

)
    
AtomSet(
  Atom AX(
    coords = ( 0.15710, 0.15710, 0.50000 ),
    occ = 4.340,
    uiso = 0.3023
    )
,
  Atom AX(
    coords = ( 0.00650, 0.30370, 0.65010 ),
    occ = 4.880,
    uiso = 0.3320
    )
,
  Atom AX(
    coords = ( 0.09200, 0.13120, 0.39690 ),
    occ = 3.310,
    uiso = 0.2831
    )
,
  Atom AX(
    coords = ( -0.10220, 0.39090, 0.27980 ),
    occ = 1.910,
    uiso = 0.2395
    )
,
  Atom AX(
    coords = ( -0.04030, 0.07870, -0.08180 ),
    occ = 2.170,
    uiso = 0.3426
    )
,
  Atom AX(
    coords = ( 0.04170, 0.26140, -0.17340 ),
    occ = 2.760,
    uiso = 0.3698
    )
,
  Atom AX(
    coords = ( 0.14910, 0.37450, 0.43340 ),
    occ = 1.960,
    uiso = 0.3238
    )
,
  Atom AX(
    coords = ( 0.13330, 0.45930, 0.36540 ),
    occ = 2.500,
    uiso = 0.3463
    )
,
  Atom AX(
    coords = ( -0.12040, 0.24520, 0.41370 ),
    occ = 0.870,
    uiso = 0.2114
    )
,
  Atom AX(
    coords = ( -0.14330, 0.20120, 0.65560 ),
    occ = 1.190,
    uiso = 0.3027
    )
,
  Atom AX(
    coords = ( -0.14750, 0.13910, -0.13380 ),
    occ = 0.980,
    uiso = 0.2948
    )
,
  Atom AX(
    coords = ( -0.04290, 0.30700, -0.01710 ),
    occ = 1.070,
    uiso = 0.3114
    )
,
  Atom AX(
    coords = ( 0.13160, 0.16990, 0.15430 ),
    occ = 0.670,
    uiso = 0.2379
    )
,
  Atom AX(
    coords = ( 0.06960, 0.17140, -0.02050 ),
    occ = 0.710,
    uiso = 0.2495
    )
,
  Atom AX(
    coords = ( 0.03460, 0.47680, 0.53410 ),
    occ = 0.900,
    uiso = 0.3207
    )

)
    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 51: tst_sceds - python
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

sceds_score

sceds_score

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SCEDS_TABLE
    
Text(value = 
   Best Domain Division
   --------------------
   SCEDS = ws*Sphericity + wc*Continuity + we*Equality + wd*Density
         = 4*0.95 + 0*0.50 + 1*0.76 + 1*0.79
         = 3.81 + 0.00 + 0.76 + 0.79
         = 5.36
   Mode Combination = 7 11 
   Domain Division #CA atoms: 179/73 (11 excluded)
      Domain #1: 37   -> 72  
               + 146  -> 288 
      Domain #2: 73   -> 145 
      Excluded : 26   -> 36  

)
    
Text(value = 
   Best Domain Division
   --------------------
   SCEDS = ws*Sphericity + wc*Continuity + we*Equality + wd*Density
         = 4*0.95 + 0*0.50 + 1*0.76 + 1*0.79
         = 3.81 + 0.00 + 0.76 + 0.79
         = 5.36
   Mode Combination = 7 11 
   Domain Division #CA atoms: 179/73 (11 excluded)
      Domain #1: 37   -> 72  
               + 146  -> 288 
      Domain #2: 73   -> 145 
      Excluded : 26   -> 36  

)
    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 1, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 52: tst_sceds - script
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

sceds_score

sceds_score

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SCEDS_TABLE
    
Text(value = 
   Best Domain Division
   --------------------
   SCEDS = ws*Sphericity + wc*Continuity + we*Equality + wd*Density
         = 4*0.95 + 0*0.50 + 1*0.76 + 1*0.79
         = 3.81 + 0.00 + 0.76 + 0.79
         = 5.36
   Mode Combination = 7 11 
   Domain Division #CA atoms: 179/73 (11 excluded)
      Domain #1: 37   -> 72  
               + 146  -> 288 
      Domain #2: 73   -> 145 
      Excluded : 26   -> 36  

)
    
Text(value = 
   Best Domain Division
   --------------------
   SCEDS = ws*Sphericity + wc*Continuity + we*Equality + wd*Density
         = 4*0.95 + 0*0.50 + 1*0.76 + 1*0.79
         = 3.81 + 0.00 + 0.76 + 0.79
         = 5.36
   Mode Combination = 7 11 
   Domain Division #CA atoms: 179/73 (11 excluded)
      Domain #1: 37   -> 72  
               + 146  -> 288 
      Domain #2: 73   -> 145 
      Excluded : 26   -> 36  

)
    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 1, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 53: tstb_ep_auto_trypse - python
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

ep_dataset_statistics
ep_phasing_statistics

ep_dataset_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
MILLER_SIZE
    
Integer(value = 6485)
    
Integer(value = 6485)
    
OK
  

Back to comparisons
ep_phasing_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
LLG
    
SAD_LLG(value = -563.4)
    
SAD_LLG(value = -563.4)
    
OK
  
  

    
ATOMS_COUNT
    
Integer(value = 1)
    
Integer(value = 1)
    
OK
  
  

    
ATOMS
    
AtomSet(
  Atom SE(
    coords = ( 0.57624, 0.04815, 0.48168 ),
    occ = 1.469,
    uiso = 0.1781
    )

)
    
AtomSet(
  Atom SE(
    coords = ( 0.57624, 0.04815, 0.48168 ),
    occ = 1.469,
    uiso = 0.1781
    )

)
    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 4, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 54: tstb_ep_auto_trypse - script
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

ep_dataset_statistics
ep_phasing_statistics

ep_dataset_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
MILLER_SIZE
    
Integer(value = 6485)
    
Integer(value = 6485)
    
OK
  

Back to comparisons
ep_phasing_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
LLG
    
SAD_LLG(value = -563.4)
    
SAD_LLG(value = -563.4)
    
OK
  
  

    
ATOMS_COUNT
    
Integer(value = 1)
    
Integer(value = 1)
    
OK
  
  

    
ATOMS
    
AtomSet(
  Atom SE(
    coords = ( 0.57624, 0.04815, 0.48168 ),
    occ = 1.469,
    uiso = 0.1781
    )

)
    
AtomSet(
  Atom SE(
    coords = ( 0.57620, 0.04820, 0.48170 ),
    occ = 1.470,
    uiso = 0.1781
    )

)
    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 4, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 55: tstl_auto_beta_blip - python
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

auto_pak_rnp_function
vrms_refinement
symmetry_information
solutions

auto_pak_rnp_function

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_SCORES
    

  
LLGScore(value = 1053.55)

    

  
LLGScore(value = 1053.55)

    
OK
  

Back to comparisons
vrms_refinement

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
VRMS_ENSEMBLE
    

  

  
Text(value = beta)
  
Text(value = blip)


    

  

  
Text(value = beta)
  
Text(value = blip)


    
OK
  
  

    
VRMS_RMS
    

  

  

  
VRMS(value = 0.676)

  

  
VRMS(value = 0.809)



    

  

  

  
VRMS(value = 0.676)

  

  
VRMS(value = 0.809)



    
OK
  

Back to comparisons
symmetry_information

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
UNIT_CELL
    

  
CellAxis(value = 75.110)
  
CellAxis(value = 75.110)
  
CellAxis(value = 133.310)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 120.00)

    

  
CellAxis(value = 75.110)
  
CellAxis(value = 75.110)
  
CellAxis(value = 133.310)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 120.00)

    
OK
  

Back to comparisons
solutions

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_ANNOTATIONS
    

  
Text(value =  RFZ=10.3 TFZ=19.2 PAK=0 LLG=457 TFZ==23.7 RFZ=7.2 TFZ=26.8 PAK=0 LLG=1038 TFZ==30.0 LLG=1054 TFZ==30.2)

    

  
Text(value =  RFZ=10.3 TFZ=19.2 PAK=0 LLG=457 TFZ==23.7 RFZ=7.2 TFZ=26.8 PAK=0 LLG=1038 TFZ==30.0 LLG=1054 TFZ==30.2)

    
OK
  
  

    
SOLUTION_COUNT
    
Integer(value = 1)
    
Integer(value = 1)
    
OK
  
  

    
BFACTOR
    

  

  
Bfactor(value = 5.641)
  
Bfactor(value = 10.786)


    

  

  
Bfactor(value = 5.641)
  
Bfactor(value = 10.786)


    
OK
  
  

    
SOLUTIONS
    

  
Solution(
  Molecule(
    ensemble = beta,
    rotation = ( 200.92, 41.27, 183.90 ),
    translation = ( -0.49561, -0.15817, -0.28090 )
    )
,
  Molecule(
    ensemble = blip,
    rotation = ( 43.88, 80.98, 117.29 ),
    translation = ( -0.12351, 0.29366, -0.09240 )
    )

)

    

  
Solution(
  Molecule(
    ensemble = beta,
    rotation = ( 200.92, 41.27, 183.90 ),
    translation = ( -0.49561, -0.15817, -0.28090 )
    )
,
  Molecule(
    ensemble = blip,
    rotation = ( 43.88, 80.98, 117.29 ),
    translation = ( -0.12351, 0.29366, -0.09240 )
    )

)

    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 8, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 56: tstl_auto_beta_blip - script
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

auto_pak_rnp_function
symmetry_information
solutions
vrms_refinement

auto_pak_rnp_function

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_SCORES
    

  
LLGScore(value = 1053.55)

    

  
LLGScore(value = 1053.50)

    
OK
  

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symmetry_information

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
UNIT_CELL
    

  
CellAxis(value = 75.110)
  
CellAxis(value = 75.110)
  
CellAxis(value = 133.310)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 120.00)

    

  
CellAxis(value = 75.110)
  
CellAxis(value = 75.110)
  
CellAxis(value = 133.310)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 120.00)

    
OK
  

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solutions

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_ANNOTATIONS
    

  
Text(value =  RFZ=10.3 TFZ=19.2 PAK=0 LLG=457 TFZ==23.7 RFZ=7.2 TFZ=26.8 PAK=0 LLG=1038 TFZ==30.0 LLG=1054 TFZ==30.2)

    

  
Text(value =  RFZ=10.3 TFZ=19.2 PAK=0 LLG=457 TFZ==23.7 RFZ=7.2 TFZ=26.8 PAK=0 LLG=1038 TFZ==30.0 LLG=1054 TFZ==30.2)

    
OK
  
  

    
SOLUTION_COUNT
    
Integer(value = 1)
    
Integer(value = 1)
    
OK
  
  

    
BFACTOR
    

  

  
Bfactor(value = 5.641)
  
Bfactor(value = 10.786)


    

  

  
Bfactor(value = 5.641)
  
Bfactor(value = 10.786)


    
OK
  
  

    
SOLUTIONS
    

  
Solution(
  Molecule(
    ensemble = beta,
    rotation = ( 200.92, 41.27, 183.90 ),
    translation = ( -0.49561, -0.15817, -0.28090 )
    )
,
  Molecule(
    ensemble = blip,
    rotation = ( 43.88, 80.98, 117.29 ),
    translation = ( -0.12351, 0.29366, -0.09240 )
    )

)

    

  
Solution(
  Molecule(
    ensemble = beta,
    rotation = ( 200.92, 41.27, 183.90 ),
    translation = ( -0.49561, -0.15817, -0.28090 )
    )
,
  Molecule(
    ensemble = blip,
    rotation = ( 43.88, 80.98, 117.29 ),
    translation = ( -0.12351, 0.29366, -0.09240 )
    )

)

    
OK
  

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vrms_refinement

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
VRMS_RMS
    

  

  

  
VRMS(value = 0.676)

  

  
VRMS(value = 0.809)



    

  

  

  
VRMS(value = 0.675)

  

  
VRMS(value = 0.811)



    
OK
  
  

    
VRMS_ENSEMBLE
    

  

  
Text(value = beta)
  
Text(value = blip)


    

  

  
Text(value = beta)
  
Text(value = blip)


    
OK
  

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Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 8, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 57: tst_ep_atoms_partial_iod - python
ERROR
Jump to output, traceback or message
Output:
Temporary folder: /tmp/tmpxiCJ4K
# Running test with phaser python interface using crash-safe mode #
Temporary folder contents:
/tmp/tmpxiCJ4K:
	tmpEbLeV2.out.pickle
	tmpruqvi5.in.pickle
Cleaning up temporary folder...done


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Full traceback:
Traceback (most recent call last):
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_runner.py", line 1048, in run_multiple_tests
    resfilesuffix = params.suffix
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_runner.py", line 181, in run_test_and_compare
    resfilesuffix = resfilesuffix,
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_runner.py", line 116, in execute_test
    resfilesuffix = resfilesuffix,
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_run_engine.py", line 68, in python_safe
    raise RuntimeError( "Error exit from process")
RuntimeError: Error exit from process


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ERROR: Error exit from process
Test 58: tst_ep_atoms_partial_iod - script
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

sad_specific_statistics
ep_dataset_statistics
ep_phasing_statistics

sad_specific_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
F_PRIME
    

  
ScatteringFactor(value = -0.58)

    

  
ScatteringFactor(value = -0.58)

    
OK
  
  

    
F_ELEM
    

  
Text(value = I)

    

  
Text(value = I)

    
OK
  
  

    
F_DOUBLEPRIME
    

  
ScatteringFactor(value = 6.84)

    

  
ScatteringFactor(value = 6.84)

    
OK
  

Back to comparisons
ep_dataset_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
MILLER_SIZE
    
Integer(value = 10038)
    
Integer(value = 10038)
    
OK
  

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ep_phasing_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
LLG
    
SAD_LLG(value = -1410.9)
    
SAD_LLG(value = -1410.9)
    
OK
  
  

    
ATOMS_COUNT
    
Integer(value = 17)
    
Integer(value = 17)
    
OK
  
  

    
ATOMS
    
AtomSet(
  Atom I(
    coords = ( 0.15715, 0.15715, 0.50000 ),
    occ = 0.647,
    uiso = 0.2800
    )
,
  Atom I(
    coords = ( 0.00647, 0.30358, 0.65021 ),
    occ = 0.694,
    uiso = 0.2974
    )
,
  Atom I(
    coords = ( 0.09206, 0.13121, 0.39664 ),
    occ = 0.474,
    uiso = 0.2584
    )
,
  Atom I(
    coords = ( 0.10197, 0.60899, 0.77993 ),
    occ = 0.277,
    uiso = 0.2291
    )
,
  Atom I(
    coords = ( 0.04009, 0.92137, 0.41927 ),
    occ = 0.357,
    uiso = 0.3619
    )
,
  Atom I(
    coords = ( 0.12639, 0.64865, 0.18287 ),
    occ = 0.277,
    uiso = 0.2892
    )
,
  Atom I(
    coords = ( 0.13353, 0.45935, 0.36526 ),
    occ = 0.375,
    uiso = 0.3293
    )
,
  Atom I(
    coords = ( 0.04184, 0.26094, -0.17371 ),
    occ = 0.416,
    uiso = 0.3752
    )
,
  Atom I(
    coords = ( -0.14292, 0.20036, 0.65602 ),
    occ = 0.183,
    uiso = 0.3191
    )
,
  Atom I(
    coords = ( 0.03658, 0.38795, 0.72501 ),
    occ = 0.122,
    uiso = 0.2985
    )
,
  Atom I(
    coords = ( -0.04237, 0.30684, -0.01720 ),
    occ = 0.159,
    uiso = 0.3203
    )
,
  Atom I(
    coords = ( -0.12023, 0.24446, 0.41384 ),
    occ = 0.140,
    uiso = 0.2288
    )
,
  Atom I(
    coords = ( -0.14746, 0.13839, -0.13291 ),
    occ = 0.149,
    uiso = 0.2770
    )
,
  Atom I(
    coords = ( 0.13118, 0.16944, 0.15368 ),
    occ = 0.101,
    uiso = 0.2312
    )
,
  Atom I(
    coords = ( 0.06891, 0.17170, -0.01957 ),
    occ = 0.110,
    uiso = 0.2612
    )
,
  Atom I(
    coords = ( 0.07259, 0.11641, 0.06771 ),
    occ = 0.096,
    uiso = 0.2514
    )
,
  Atom I(
    coords = ( 0.03441, 0.47655, 0.53416 ),
    occ = 0.127,
    uiso = 0.3205
    )

)
    
AtomSet(
  Atom I(
    coords = ( 0.15710, 0.15710, 0.50000 ),
    occ = 0.650,
    uiso = 0.2800
    )
,
  Atom I(
    coords = ( 0.00650, 0.30360, 0.65020 ),
    occ = 0.690,
    uiso = 0.2974
    )
,
  Atom I(
    coords = ( 0.09210, 0.13120, 0.39660 ),
    occ = 0.470,
    uiso = 0.2584
    )
,
  Atom I(
    coords = ( 0.10200, 0.60900, 0.77990 ),
    occ = 0.280,
    uiso = 0.2291
    )
,
  Atom I(
    coords = ( 0.04010, 0.92140, 0.41930 ),
    occ = 0.360,
    uiso = 0.3620
    )
,
  Atom I(
    coords = ( 0.12640, 0.64870, 0.18290 ),
    occ = 0.280,
    uiso = 0.2891
    )
,
  Atom I(
    coords = ( 0.13350, 0.45930, 0.36530 ),
    occ = 0.370,
    uiso = 0.3293
    )
,
  Atom I(
    coords = ( 0.04180, 0.26090, -0.17370 ),
    occ = 0.420,
    uiso = 0.3751
    )
,
  Atom I(
    coords = ( -0.14290, 0.20040, 0.65600 ),
    occ = 0.180,
    uiso = 0.3190
    )
,
  Atom I(
    coords = ( 0.03660, 0.38800, 0.72500 ),
    occ = 0.120,
    uiso = 0.2985
    )
,
  Atom I(
    coords = ( -0.04240, 0.30680, -0.01720 ),
    occ = 0.160,
    uiso = 0.3203
    )
,
  Atom I(
    coords = ( -0.12020, 0.24450, 0.41380 ),
    occ = 0.140,
    uiso = 0.2289
    )
,
  Atom I(
    coords = ( -0.14750, 0.13840, -0.13290 ),
    occ = 0.150,
    uiso = 0.2770
    )
,
  Atom I(
    coords = ( 0.13120, 0.16940, 0.15370 ),
    occ = 0.100,
    uiso = 0.2311
    )
,
  Atom I(
    coords = ( 0.06890, 0.17170, -0.01960 ),
    occ = 0.110,
    uiso = 0.2612
    )
,
  Atom I(
    coords = ( 0.07260, 0.11640, 0.06770 ),
    occ = 0.100,
    uiso = 0.2514
    )
,
  Atom I(
    coords = ( 0.03440, 0.47660, 0.53420 ),
    occ = 0.130,
    uiso = 0.3206
    )

)
    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 59: tst_pak_toxd - python
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

auto_pak_rnp_function
symmetry_information
solutions

auto_pak_rnp_function

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_SCORES
    

  
LLGScore(value = 0.00)

    

  
LLGScore(value = 0.00)

    
OK
  

Back to comparisons
symmetry_information

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
UNIT_CELL
    

  
CellAxis(value = 73.582)
  
CellAxis(value = 38.733)
  
CellAxis(value = 23.189)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    

  
CellAxis(value = 73.582)
  
CellAxis(value = 38.733)
  
CellAxis(value = 23.189)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    
OK
  

Back to comparisons
solutions

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_ANNOTATIONS
    

  
Text(value =  RFZ=3.7 TFZ=8.1 PAK=0)

    

  
Text(value =  RFZ=3.7 TFZ=8.1 PAK=0)

    
OK
  
  

    
SOLUTION_COUNT
    
Integer(value = 1)
    
Integer(value = 1)
    
OK
  
  

    
BFACTOR
    

  

  
Bfactor(value = 0.000)


    

  

  
Bfactor(value = 0.000)


    
OK
  
  

    
SOLUTIONS
    

  
Solution(
  Molecule(
    ensemble = toxd,
    rotation = ( 326.42, 18.93, 201.21 ),
    translation = ( 0.62178, -0.17486, -0.50679 )
    )

)

    

  
Solution(
  Molecule(
    ensemble = toxd,
    rotation = ( 326.42, 18.93, 201.21 ),
    translation = ( 0.62178, -0.17486, -0.50679 )
    )

)

    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 6, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 60: tst_pak_toxd - script
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

auto_pak_rnp_function
symmetry_information
solutions

auto_pak_rnp_function

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_SCORES
    

  
LLGScore(value = 0.00)

    

  
LLGScore(value = 0.00)

    
OK
  

Back to comparisons
symmetry_information

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
UNIT_CELL
    

  
CellAxis(value = 73.582)
  
CellAxis(value = 38.733)
  
CellAxis(value = 23.189)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    

  
CellAxis(value = 73.580)
  
CellAxis(value = 38.730)
  
CellAxis(value = 23.190)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    
OK
  

Back to comparisons
solutions

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_ANNOTATIONS
    

  
Text(value =  RFZ=3.7 TFZ=8.1 PAK=0)

    

  
Text(value =  RFZ=3.7 TFZ=8.1 PAK=0)

    
OK
  
  

    
SOLUTION_COUNT
    
Integer(value = 1)
    
Integer(value = 1)
    
OK
  
  

    
BFACTOR
    

  

  
Bfactor(value = 0.000)


    

  

  
Bfactor(value = 0.000)


    
OK
  
  

    
SOLUTIONS
    

  
Solution(
  Molecule(
    ensemble = toxd,
    rotation = ( 326.42, 18.93, 201.21 ),
    translation = ( 0.62178, -0.17486, -0.50679 )
    )

)

    

  
Solution(
  Molecule(
    ensemble = toxd,
    rotation = ( 326.42, 18.93, 201.21 ),
    translation = ( 0.62178, -0.17486, -0.50679 )
    )

)

    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 6, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 61: tstb_ep_sav_cl - python
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

sad_specific_statistics
ep_dataset_statistics
ep_phasing_statistics

sad_specific_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
F_PRIME
    

  
ScatteringFactor(value = 0.34)
  
ScatteringFactor(value = 0.35)

    

  
ScatteringFactor(value = 0.34)
  
ScatteringFactor(value = 0.35)

    
OK
  
  

    
F_ELEM
    

  
Text(value = CA)
  
Text(value = CL)

    

  
Text(value = CA)
  
Text(value = CL)

    
OK
  
  

    
F_DOUBLEPRIME
    

  
ScatteringFactor(value = 1.29)
  
ScatteringFactor(value = 0.70)

    

  
ScatteringFactor(value = 1.29)
  
ScatteringFactor(value = 0.70)

    
OK
  

Back to comparisons
ep_dataset_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
MILLER_SIZE
    
Integer(value = 10052)
    
Integer(value = 10052)
    
OK
  

Back to comparisons
ep_phasing_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
LLG
    
SAD_LLG(value = -917.1)
    
SAD_LLG(value = -917.1)
    
OK
  
  

    
ATOMS_COUNT
    
Integer(value = 14)
    
Integer(value = 14)
    
OK
  
  

    
ATOMS
    
AtomSet(
  Atom CA(
    coords = ( 0.73955, 0.09388, 0.17220 ),
    occ = 1.107,
    uiso = 0.0474
    )
,
  Atom CA(
    coords = ( 0.35518, 0.14031, 0.67646 ),
    occ = 0.985,
    uiso = 0.0618
    )
,
  Atom CA(
    coords = ( 0.23980, 0.16242, 0.22280 ),
    occ = 0.530,
    uiso = 0.0796
    )
,
  Atom CL(
    coords = ( 0.18577, -0.00571, 0.55661 ),
    occ = 1.264,
    uiso = 0.1313
    )
,
  Atom CL(
    coords = ( 0.00658, 0.61616, 0.01782 ),
    occ = 0.868,
    uiso = 0.0369
    )
,
  Atom CL(
    coords = ( 0.08991, 0.37927, 0.46126 ),
    occ = 0.775,
    uiso = 0.0229
    )
,
  Atom CL(
    coords = ( 0.00436, 0.30814, 0.11503 ),
    occ = 0.636,
    uiso = 0.0468
    )
,
  Atom CL(
    coords = ( 0.24685, 0.11433, 0.49388 ),
    occ = 0.695,
    uiso = 0.0267
    )
,
  Atom CL(
    coords = ( 0.14146, 0.51617, 0.04933 ),
    occ = 0.421,
    uiso = 0.0518
    )
,
  Atom CL(
    coords = ( 0.09884, 0.24917, 0.75199 ),
    occ = 0.668,
    uiso = 0.0505
    )
,
  Atom CL(
    coords = ( 0.01975, 0.25232, 0.43926 ),
    occ = 0.500,
    uiso = 0.0013
    )
,
  Atom CL(
    coords = ( 0.21405, 0.20423, 0.10383 ),
    occ = 0.405,
    uiso = 0.0172
    )
,
  Atom CL(
    coords = ( 0.04078, 0.50385, 0.18385 ),
    occ = 0.411,
    uiso = 0.0686
    )
,
  Atom CL(
    coords = ( 0.18389, 0.59885, 0.52065 ),
    occ = 0.314,
    uiso = 0.0085
    )

)
    
AtomSet(
  Atom CA(
    coords = ( 0.73955, 0.09388, 0.17220 ),
    occ = 1.107,
    uiso = 0.0474
    )
,
  Atom CA(
    coords = ( 0.35518, 0.14031, 0.67646 ),
    occ = 0.985,
    uiso = 0.0618
    )
,
  Atom CA(
    coords = ( 0.23980, 0.16242, 0.22280 ),
    occ = 0.530,
    uiso = 0.0796
    )
,
  Atom CL(
    coords = ( 0.18577, -0.00571, 0.55661 ),
    occ = 1.264,
    uiso = 0.1313
    )
,
  Atom CL(
    coords = ( 0.00658, 0.61616, 0.01782 ),
    occ = 0.868,
    uiso = 0.0369
    )
,
  Atom CL(
    coords = ( 0.08991, 0.37927, 0.46126 ),
    occ = 0.775,
    uiso = 0.0229
    )
,
  Atom CL(
    coords = ( 0.00436, 0.30814, 0.11503 ),
    occ = 0.636,
    uiso = 0.0468
    )
,
  Atom CL(
    coords = ( 0.24685, 0.11433, 0.49388 ),
    occ = 0.695,
    uiso = 0.0267
    )
,
  Atom CL(
    coords = ( 0.14146, 0.51617, 0.04933 ),
    occ = 0.421,
    uiso = 0.0518
    )
,
  Atom CL(
    coords = ( 0.09884, 0.24917, 0.75199 ),
    occ = 0.668,
    uiso = 0.0505
    )
,
  Atom CL(
    coords = ( 0.01975, 0.25232, 0.43926 ),
    occ = 0.500,
    uiso = 0.0013
    )
,
  Atom CL(
    coords = ( 0.21405, 0.20423, 0.10383 ),
    occ = 0.405,
    uiso = 0.0172
    )
,
  Atom CL(
    coords = ( 0.04078, 0.50385, 0.18385 ),
    occ = 0.411,
    uiso = 0.0686
    )
,
  Atom CL(
    coords = ( 0.18389, 0.59885, 0.52065 ),
    occ = 0.314,
    uiso = 0.0085
    )

)
    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 62: tstb_ep_sav_cl - script
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

sad_specific_statistics
ep_dataset_statistics
ep_phasing_statistics

sad_specific_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
F_PRIME
    

  
ScatteringFactor(value = 0.34)
  
ScatteringFactor(value = 0.35)

    

  
ScatteringFactor(value = 0.34)
  
ScatteringFactor(value = 0.35)

    
OK
  
  

    
F_ELEM
    

  
Text(value = CA)
  
Text(value = CL)

    

  
Text(value = CA)
  
Text(value = CL)

    
OK
  
  

    
F_DOUBLEPRIME
    

  
ScatteringFactor(value = 1.29)
  
ScatteringFactor(value = 0.70)

    

  
ScatteringFactor(value = 1.29)
  
ScatteringFactor(value = 0.70)

    
OK
  

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ep_dataset_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
MILLER_SIZE
    
Integer(value = 10052)
    
Integer(value = 10052)
    
OK
  

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ep_phasing_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
LLG
    
SAD_LLG(value = -917.1)
    
SAD_LLG(value = -917.1)
    
OK
  
  

    
ATOMS_COUNT
    
Integer(value = 14)
    
Integer(value = 14)
    
OK
  
  

    
ATOMS
    
AtomSet(
  Atom CA(
    coords = ( 0.73955, 0.09388, 0.17220 ),
    occ = 1.107,
    uiso = 0.0474
    )
,
  Atom CA(
    coords = ( 0.35518, 0.14031, 0.67646 ),
    occ = 0.985,
    uiso = 0.0618
    )
,
  Atom CA(
    coords = ( 0.23980, 0.16242, 0.22280 ),
    occ = 0.530,
    uiso = 0.0796
    )
,
  Atom CL(
    coords = ( 0.18577, -0.00571, 0.55661 ),
    occ = 1.264,
    uiso = 0.1313
    )
,
  Atom CL(
    coords = ( 0.00658, 0.61616, 0.01782 ),
    occ = 0.868,
    uiso = 0.0369
    )
,
  Atom CL(
    coords = ( 0.08991, 0.37927, 0.46126 ),
    occ = 0.775,
    uiso = 0.0229
    )
,
  Atom CL(
    coords = ( 0.00436, 0.30814, 0.11503 ),
    occ = 0.636,
    uiso = 0.0468
    )
,
  Atom CL(
    coords = ( 0.24685, 0.11433, 0.49388 ),
    occ = 0.695,
    uiso = 0.0267
    )
,
  Atom CL(
    coords = ( 0.14146, 0.51617, 0.04933 ),
    occ = 0.421,
    uiso = 0.0518
    )
,
  Atom CL(
    coords = ( 0.09884, 0.24917, 0.75199 ),
    occ = 0.668,
    uiso = 0.0505
    )
,
  Atom CL(
    coords = ( 0.01975, 0.25232, 0.43926 ),
    occ = 0.500,
    uiso = 0.0013
    )
,
  Atom CL(
    coords = ( 0.21405, 0.20423, 0.10383 ),
    occ = 0.405,
    uiso = 0.0172
    )
,
  Atom CL(
    coords = ( 0.04078, 0.50385, 0.18385 ),
    occ = 0.411,
    uiso = 0.0686
    )
,
  Atom CL(
    coords = ( 0.18389, 0.59885, 0.52065 ),
    occ = 0.314,
    uiso = 0.0085
    )

)
    
AtomSet(
  Atom CA(
    coords = ( 0.73950, 0.09390, 0.17220 ),
    occ = 1.110,
    uiso = 0.0474
    )
,
  Atom CA(
    coords = ( 0.35520, 0.14030, 0.67650 ),
    occ = 0.980,
    uiso = 0.0618
    )
,
  Atom CA(
    coords = ( 0.23980, 0.16240, 0.22280 ),
    occ = 0.530,
    uiso = 0.0795
    )
,
  Atom CL(
    coords = ( 0.18580, -0.00570, 0.55660 ),
    occ = 1.260,
    uiso = 0.1312
    )
,
  Atom CL(
    coords = ( 0.00660, 0.61620, 0.01780 ),
    occ = 0.870,
    uiso = 0.0370
    )
,
  Atom CL(
    coords = ( 0.08990, 0.37930, 0.46130 ),
    occ = 0.780,
    uiso = 0.0229
    )
,
  Atom CL(
    coords = ( 0.00440, 0.30810, 0.11500 ),
    occ = 0.640,
    uiso = 0.0469
    )
,
  Atom CL(
    coords = ( 0.24690, 0.11430, 0.49390 ),
    occ = 0.690,
    uiso = 0.0267
    )
,
  Atom CL(
    coords = ( 0.14150, 0.51620, 0.04930 ),
    occ = 0.420,
    uiso = 0.0518
    )
,
  Atom CL(
    coords = ( 0.09880, 0.24920, 0.75200 ),
    occ = 0.670,
    uiso = 0.0505
    )
,
  Atom CL(
    coords = ( 0.01970, 0.25230, 0.43930 ),
    occ = 0.500,
    uiso = 0.0013
    )
,
  Atom CL(
    coords = ( 0.21410, 0.20420, 0.10380 ),
    occ = 0.400,
    uiso = 0.0172
    )
,
  Atom CL(
    coords = ( 0.04080, 0.50390, 0.18380 ),
    occ = 0.410,
    uiso = 0.0686
    )
,
  Atom CL(
    coords = ( 0.18390, 0.59890, 0.52070 ),
    occ = 0.310,
    uiso = 0.0085
    )

)
    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 63: tst_gyre_beta_blip - python
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

gyre_rottra
gyre_scores

gyre_rottra

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
GYRATION_4
    

  
GyreAngle(value = -4.40)
  
GyreAngle(value = 1.90)
  
GyreAngle(value = 4.79)
  
GyreTrans(value = 0.000)
  
GyreTrans(value = 0.000)
  
GyreTrans(value = 0.000)

    

  
GyreAngle(value = -4.40)
  
GyreAngle(value = 1.90)
  
GyreAngle(value = 4.79)
  
GyreTrans(value = 0.000)
  
GyreTrans(value = 0.000)
  
GyreTrans(value = 0.000)

    
OK
  
  

    
GYRATION_5
    

  
GyreAngle(value = -0.02)
  
GyreAngle(value = 0.07)
  
GyreAngle(value = 1.67)
  
GyreTrans(value = 0.127)
  
GyreTrans(value = 0.274)
  
GyreTrans(value = 0.394)

    

  
GyreAngle(value = -0.02)
  
GyreAngle(value = 0.07)
  
GyreAngle(value = 1.67)
  
GyreTrans(value = 0.127)
  
GyreTrans(value = 0.274)
  
GyreTrans(value = 0.394)

    
OK
  
  

    
GYRATION_2
    

  
GyreAngle(value = 1.39)
  
GyreAngle(value = 1.22)
  
GyreAngle(value = 1.86)
  
GyreTrans(value = 0.000)
  
GyreTrans(value = 0.000)
  
GyreTrans(value = 0.000)

    

  
GyreAngle(value = 1.39)
  
GyreAngle(value = 1.22)
  
GyreAngle(value = 1.86)
  
GyreTrans(value = 0.000)
  
GyreTrans(value = 0.000)
  
GyreTrans(value = 0.000)

    
OK
  
  

    
GYRATION_3
    

  
GyreAngle(value = -2.54)
  
GyreAngle(value = 0.70)
  
GyreAngle(value = 2.75)
  
GyreTrans(value = -0.183)
  
GyreTrans(value = 0.892)
  
GyreTrans(value = 1.407)

    

  
GyreAngle(value = -2.54)
  
GyreAngle(value = 0.70)
  
GyreAngle(value = 2.75)
  
GyreTrans(value = -0.183)
  
GyreTrans(value = 0.892)
  
GyreTrans(value = 1.407)

    
OK
  
  

    
GYRATION_0
    

  
GyreAngle(value = 3.55)
  
GyreAngle(value = 0.63)
  
GyreAngle(value = 3.72)
  
GyreTrans(value = 0.000)
  
GyreTrans(value = 0.000)
  
GyreTrans(value = 0.000)

    

  
GyreAngle(value = 3.55)
  
GyreAngle(value = 0.63)
  
GyreAngle(value = 3.72)
  
GyreTrans(value = 0.000)
  
GyreTrans(value = 0.000)
  
GyreTrans(value = 0.000)

    
OK
  
  

    
GYRATION_1
    

  
GyreAngle(value = 2.13)
  
GyreAngle(value = 2.02)
  
GyreAngle(value = 3.11)
  
GyreTrans(value = 0.024)
  
GyreTrans(value = 0.490)
  
GyreTrans(value = 0.528)

    

  
GyreAngle(value = 2.13)
  
GyreAngle(value = 2.02)
  
GyreAngle(value = 3.11)
  
GyreTrans(value = 0.024)
  
GyreTrans(value = 0.490)
  
GyreTrans(value = 0.528)

    
OK
  

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gyre_scores

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
GYRE_LLG_SCORES
    

  
LLGScore(value = 33.29)
  
LLGScore(value = 18.71)
  
LLGScore(value = 12.03)

    

  
LLGScore(value = 33.29)
  
LLGScore(value = 18.71)
  
LLGScore(value = 12.03)

    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 64: tst_gyre_beta_blip - script
ERROR
Jump to output, traceback or message
Output:
Temporary folder: /tmp/tmpcXXcd6
# Running test using phaser executable #
Selecting phaser executable...
Selected: "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/build/bin/phenix.phaser"
Input:
MODE GYRE
JOBS 23
HKLIN "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/data/regression/beta_blip_P3221.mtz"
LABIN F=Fobs SIGF=Sigma
ENSEMBLE beta PDBFILE "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/data/regression/beta.pdb" IDENTITY 1.0

ENSEMBLE blip PDBFILE "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/data/regression/blip.pdb" IDENTITY 1.0

ENSEMBLE betablip_phaser PDBFILE "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/data/regression/beta-blip_phaser.1.pdb" IDENTITY 1.0

SOLU SET
SOLU TRIAL ENSEMBLE betablip_phaser EULER    0.833    1.199    0.815 RF   57.8 RFZ  6.09
SOLU TRIAL ENSEMBLE betablip_phaser EULER   87.630   40.481  265.655 RF   44.3 RFZ  4.30
SOLU TRIAL ENSEMBLE betablip_phaser EULER  104.861   13.171  262.074 RF   42.4 RFZ  4.16
COMPOSITION PROTEIN SEQ "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/data/regression/beta.seq" NUM 1
COMPOSITION PROTEIN SEQ "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/data/regression/blip.seq" NUM 1
RESOLUTION 6.59489
ROOT /tmp/tmpcXXcd6/PHASER
Executing input...




##########################################################################################
##########################################################################################
##########################################################################################
### CCP4 PROGRAM SUITE: Phaser                                                   2.8.3 ###
##########################################################################################
User:         phaserbuilder
Run time:     Thu Sep 30 04:51:24 2021
Version:      2.8.3
Release Date: Thu Sep 30 04:12:05 2021 (git 7539, 219b54030... )

If you use this software please cite:
$TEXT:Reference1: $$ $$
"Phaser Crystallographic Software"
A.J. McCoy, R.W. Grosse-Kunstleve, P.D. Adams, M.D. Winn, L.C. Storoni & R.J. Read
J. Appl. Cryst. (2007). 40, 658-674
PDF

$$




******************************************************************************************
*** Phaser Module: PREPROCESSOR                                                  2.8.3 ***
******************************************************************************************

$TEXT:Script: $$ Baubles Markup $$
MODE GYRE
JOBS 23
HKLIN &
"/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/data/regression/beta_blip_P3221.mtz" &
LABIN F=Fobs SIGF=Sigma
ENSEMBLE beta PDBFILE &
"/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/data/regression/beta.pdb" &
IDENTITY 1.0
ENSEMBLE blip PDBFILE &
"/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/data/regression/blip.pdb" &
IDENTITY 1.0
ENSEMBLE betablip_phaser PDBFILE &
"/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/data/regression/beta-blip_phaser.1.pdb" &
IDENTITY 1.0
SOLU SET
SOLU TRIAL ENSEMBLE betablip_phaser EULER    0.833    1.199    0.815 RF   57.8 RFZ  6.09
SOLU TRIAL ENSEMBLE betablip_phaser EULER   87.630   40.481  265.655 RF   44.3 RFZ  4.30
SOLU TRIAL ENSEMBLE betablip_phaser EULER  104.861   13.171  262.074 RF   42.4 RFZ  4.16
COMPOSITION PROTEIN SEQ &
"/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/data/regression/beta.seq" NUM 1
COMPOSITION PROTEIN SEQ &
"/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/data/regression/blip.seq" NUM 1
RESOLUTION 6.59489
ROOT /tmp/tmpcXXcd6/PHASER

$$
CPU Time: 0 days 0 hrs 0 mins 0.00 secs (      0.00 secs)
Finished: Thu Sep 30 04:51:24 2021

******************************************************************************************
*** Phaser Module: READ DATA FROM MTZ FILE                                       2.8.3 ***
******************************************************************************************

   Read from Mtz File
   ------------------
   Data read from mtz file:
   /mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/data/regression/beta_blip_P3221.mtz
   Space-Group Name (Hall Symbol): P 32 2 1 ( P 32 2")
   Space-Group Number: 154
   Unit Cell:   75.11   75.11  133.31   90.00   90.00  120.00
   Column Labels Selected: Fobs Sigma
   Resolution on Mtz file:  3.00 14.94
   Resolution Selected:     3.00 14.94
   Number of Reflections in Selected Resolution Range: 8830

CPU Time: 0 days 0 hrs 0 mins 0.02 secs (      0.02 secs)
Finished: Thu Sep 30 04:51:24 2021

******************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT GYRE REFINEMENT                         2.8.3 ***
******************************************************************************************


---------------------
ANISOTROPY CORRECTION
---------------------

   Outlier Rejection
   -----------------
   There were 3 reflections of 8830 (0.0340%) rejected as outliers
      - outliers with a Wilson probability less than 1e-06
      - measurements expected to contain fewer than 0.01 bits of information

      H    K    L   reso        Eo^2       sigma probability  wilson low-info
      8   -3  -40   3.14      14.722       0.367   4.322e-07  true   false   
      5   -2  -39   3.33      14.979       0.333   3.301e-07  true   false   
      9   -3   32   3.71      15.571       0.499   1.957e-07  true   false   

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 11 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
      -59785.766            -59267.301               518.466

   Principal components of anisotropic part of B affecting observed amplitudes:
     eigenB (A^2)     direction cosines (orthogonal coordinates)
        10.584              0.7744   0.6327  -0.0000
        10.584             -0.6327   0.7744  -0.0000
       -21.167              0.0000   0.0000   1.0000
   Anisotropic deltaB (i.e. range of principal components):  31.751

   Outlier Rejection
   -----------------
   No reflections are outliers

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 1 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
      -59307.940            -59307.893                 0.046

   Principal components of anisotropic part of B affecting observed amplitudes:
     eigenB (A^2)     direction cosines (orthogonal coordinates)
        10.717              0.7735   0.6337  -0.0000
        10.717             -0.6337   0.7735  -0.0000
       -21.434              0.0000   0.0000   1.0000
   Anisotropic deltaB (i.e. range of principal components):  32.151

   Outlier Rejection
   -----------------
   No reflections are outliers

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 1 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
      -59307.893            -59307.893                 0.000

   Principal components of anisotropic part of B affecting observed amplitudes:
     eigenB (A^2)     direction cosines (orthogonal coordinates)
        10.730              0.7831   0.6219  -0.0000
        10.730             -0.6219   0.7831  -0.0000
       -21.460              0.0000   0.0000   1.0000
   Anisotropic deltaB (i.e. range of principal components):  32.190

   Outlier Rejection
   -----------------
   No reflections are outliers


   Refined Anisotropy Parameters
   -----------------------------
   Principal components of anisotropic part of B affecting observed amplitudes:
     eigenB (A^2)     direction cosines (orthogonal coordinates)
        10.730              0.7831   0.6219  -0.0000
        10.730             -0.6219   0.7831  -0.0000
       -21.460              0.0000   0.0000   1.0000
   Anisotropic deltaB (i.e. range of principal components):  32.190


-----------------
TRANSLATIONAL NCS
-----------------

   tNCS vector not set
   Space Group (without translational symmetry):P 3 2 1
   Patterson Symmetry: P -3 m 1
   Resolution of All Data (Number):        3.00  14.94 (8830)
   Resolution of Patterson (Number):       5.00   9.96 (1789)

   Raw Patterson Peaks Table
   -------------------------
   Sorted by Height
   Height Vector
   100.0%:   FRAC +0.0000 +0.0000 -0.0000   (ORTH    0.0    0.0   -0.0)

   Patterson Top (All) = 6.38%
      There were 204 peaks

   Patterson Top (Non-origin) = 6.38%
      Patterson Origin Vector Distance = 15
      There were 199 non-origin peaks

   Patterson Top (Cutoff) = 0.00%
      Patterson cutoff = 20%
      There were 0 non-origin peaks over cutoff

   Patterson Top (Large Cell) = 0.00%
      Unit Cell dimension was not smaller than origin Patterson vector distance
      There were 0 non-origin and large cell peaks over cutoff

   Patterson Top (Analysis) = 0.00%
      Peaks within minimum Patterson vector distance of one another were deleted
      There were 0 widely separated non-origin peaks over cutoff

   There were no interesting non-origin Patterson peaks

   No tNCS found in Patterson

-----------------------------
EXPERIMENTAL ERROR CORRECTION
-----------------------------

   Calculate Luzzati D factors accounting for observational error...


   Data have been provided as raw amplitudes


---------------------------------
DATA FOR ROTATION GYRE REFINEMENT
---------------------------------

   Outlier Rejection
   -----------------
   No reflections are outliers


   Resolution of All Data (Number):        3.00  14.94 (8830)
   Resolution of Selected Data (Number):   6.60  14.94 (842)


-------------------
WILSON DISTRIBUTION
-------------------

   Parameters set for Wilson log-likelihood calculation
   E = 0 and variance 1 for each reflection
   Without correction for SigF to the variances,
      Wilson log(likelihood) = - number of acentrics (612)
                               - half number of centrics (230/2)
                             = -727
   With correction for SigF,
      Wilson log(likelihood) = -728.718

---------
GYRE LIST
---------

   Initial rotations will be created from rlist

   SET# GYRE#   Euler                          RF     RFZ
   1    1         0.833   1.199   0.815    57.800   6.090
   1    2        87.630  40.481 265.655    44.300   4.300
   1    3       104.861  13.171 262.074    42.400   4.160

----------
ENSEMBLING
----------

   Ensemble: betablip_phaser[ A]
   -----------------------------
   PDB file # 1: beta-blip_phaser.1.pdb
      This file contains 1 model
      The input RmsD of model #1 with respect to the real structure is 0.480

   Ensemble: betablip_phaser[ B]
   -----------------------------
   PDB file # 1: beta-blip_phaser.1.pdb
      This file contains 1 model
      The input RmsD of model #1 with respect to the real structure is 0.480

   Ensemble Generation: betablip_phaser[ A]
   ----------------------------------------
   Ensemble configured for structure factor interpolation
   Ensemble configured to resolution  6.60
   Ensemble configured for chain [ A]

   Electron Density Calculation
   0%      100%
   |=======| DONE

   Ensemble Generation: betablip_phaser[ B]
   ----------------------------------------
   Ensemble configured for structure factor interpolation
   Ensemble configured to resolution  6.60
   Ensemble configured for chain [ B]

   Electron Density Calculation
   0%      100%
   |=======| DONE

   Ensemble Generation
   -------------------
   Resolution of Ensembles: 6.59645
   Scat% Radius Model# Rel-B    RMS   DRMS   VRMS Ensemble                           
    61.0   23.6      1  33.4  0.480  0.000  0.480 betablip_phaser                    
    37.2   19.6      1  32.3  0.480  0.000  0.480 betablip_phaser                    

------------------------
ROTATION GYRE REFINEMENT
------------------------

   Protocol cycle #1 of 1
   Refinement protocol for this macgocycle:
   ROTATION:    REFINE
   TRANSLATION: REFINE
   VRMS:        REFINE
   SIGR:        25
   SIGT:        25

   There are 3 gyre to refine
   Spreading calculation onto 23 threads.
   Refining solutions
   0% 100%
   |==| DONE


   GYRE REFINEMENT SET #1 OF 3
   ---------------------------
   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 11 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
          18.948                33.262                14.315


   GYRE REFINEMENT SET #2 OF 3
   ---------------------------
   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 6 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
           5.856                18.662                12.806


   GYRE REFINEMENT SET #3 OF 3
   ---------------------------
   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 9 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
           1.523                12.003                10.480



   Gyre Refinement Table
   ---------------------
   #out  #in (Start LLG) (Refined LLG) D-Angle  D-Dist   Vrms  Ensemble
   Top1 1           18.9          33.3
                                         3.717   0.000   0.330 betablip_phaser[ A]
                                         3.114   0.528   0.911 betablip_phaser[ B]
   ----
   2    2            5.9          18.7
                                         1.858   0.000   0.875 betablip_phaser[ A]
                                         2.749   1.407   1.303 betablip_phaser[ B]
   ----
   3    3            1.5          12.0
                                         4.788   0.000   1.541 betablip_phaser[ A]
                                         1.670   0.394   1.332 betablip_phaser[ B]
   ----

$TABLE : Gyre Table:
$GRAPHS 
:Gyre Number vs LLG:AUTO:1,2,3: 
$$
Number final-LLG initial-LLG
$$ loggraph $$
1      33.29      18.95
2      18.71       5.86
3      12.03       1.52
$$

---------------
PURGE SELECTION
---------------

   Number used for purge  = 5
   Number of solutions stored before purge = 3
   Number of solutions stored (deleted) after purge = 3 (0)

------------
OUTPUT FILES
------------

   /tmp/tmpcXXcd6/PHASER.1.pdb
   /tmp/tmpcXXcd6/PHASER.2.pdb
   /tmp/tmpcXXcd6/PHASER.3.pdb
   /tmp/tmpcXXcd6/PHASER.sol
   /tmp/tmpcXXcd6/PHASER.gyre.rlist

CPU Time: 0 days 0 hrs 0 mins 6.80 secs (      6.80 secs)
Finished: Thu Sep 30 04:51:29 2021


--------------------
EXIT STATUS: SUCCESS
--------------------


CPU Time: 0 days 0 hrs 0 mins 6.80 secs (      6.80 secs)
Finished: Thu Sep 30 04:51:29 2021




...complete
Parsing output...complete
Temporary folder contents:
/tmp/tmpcXXcd6:
	PHASER.1.pdb
	PHASER.2.pdb
	PHASER.3.pdb
	PHASER.gyre.rlist
	PHASER.log
	PHASER.sol
Cleaning up temporary folder...done


Back to test
Full traceback:
Traceback (most recent call last):
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_runner.py", line 1048, in run_multiple_tests
    resfilesuffix = params.suffix
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_runner.py", line 181, in run_test_and_compare
    resfilesuffix = resfilesuffix,
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_runner.py", line 116, in execute_test
    resfilesuffix = resfilesuffix,
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_run_engine.py", line 188, in script
    report = input.evaluate( input = input, result = result, prefix = prefix )
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_phaser_keyword.py", line 1459, in evaluate
    disable_tests_in = self.disable_tests_in,
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_reporter.py", line 13, in create
    section = r( input = input, result = result, prefix = prefix )
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_reporter.py", line 232, in gyre_rottra
    if len( s.findall( result.getDotRlist().unparse() ) ) > 0:
AttributeError: 'ResultGYRE' object has no attribute 'getDotRlist'


Back to test
ERROR: 'ResultGYRE' object has no attribute 'getDotRlist'
Test 65: tst_ptf_1bik_toxd - python
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

auto_pak_rnp_function
vrms_refinement
symmetry_information
solutions

auto_pak_rnp_function

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_SCORES
    

  
LLGScore(value = 164.28)

    

  
LLGScore(value = 164.39)

    
OK
  

Back to comparisons
vrms_refinement

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
VRMS_ENSEMBLE
    

  

  
Text(value = ens1bik)


    

  

  
Text(value = ens1bik)


    
OK
  
  

    
VRMS_RMS
    

  

  

  
VRMS(value = 0.797)



    

  

  

  
VRMS(value = 0.797)



    
OK
  

Back to comparisons
symmetry_information

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
UNIT_CELL
    

  
CellAxis(value = 73.582)
  
CellAxis(value = 38.733)
  
CellAxis(value = 23.189)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    

  
CellAxis(value = 73.582)
  
CellAxis(value = 38.733)
  
CellAxis(value = 23.189)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    
OK
  

Back to comparisons
solutions

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_ANNOTATIONS
    

  
Text(value =  RFZ=5.5 TFZ=31.4 PAK=0 LLG=113 LLG=164 PAK=1 LLG=164)

    

  
Text(value =  RFZ=5.5 TFZ=31.4 PAK=0 LLG=113 LLG=164 PAK=1 LLG=164)

    
OK
  
  

    
SOLUTION_COUNT
    
Integer(value = 1)
    
Integer(value = 1)
    
OK
  
  

    
BFACTOR
    

  

  
Bfactor(value = 0.201)


    

  

  
Bfactor(value = 0.202)


    
OK
  
  

    
SOLUTIONS
    

  
Solution(
  Molecule(
    ensemble = ens1bik,
    rotation = ( 321.40, 21.14, 204.27 ),
    translation = ( 0.62263, -0.19923, -0.52843 )
    )

)

    

  
Solution(
  Molecule(
    ensemble = ens1bik,
    rotation = ( 321.39, 21.13, 204.28 ),
    translation = ( 0.62266, -0.19937, -0.52816 )
    )

)

    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 8, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 66: tst_ptf_1bik_toxd - script
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

auto_pak_rnp_function
symmetry_information
solutions
vrms_refinement

auto_pak_rnp_function

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_SCORES
    

  
LLGScore(value = 164.28)

    

  
LLGScore(value = 164.40)

    
OK
  

Back to comparisons
symmetry_information

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
UNIT_CELL
    

  
CellAxis(value = 73.582)
  
CellAxis(value = 38.733)
  
CellAxis(value = 23.189)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    

  
CellAxis(value = 73.580)
  
CellAxis(value = 38.730)
  
CellAxis(value = 23.190)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    
OK
  

Back to comparisons
solutions

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_ANNOTATIONS
    

  
Text(value =  RFZ=5.5 TFZ=31.4 PAK=0 LLG=113 LLG=164 PAK=1 LLG=164)

    

  
Text(value =  RFZ=5.5 TFZ=31.4 PAK=0 LLG=113 LLG=164 PAK=1 LLG=164)

    
OK
  
  

    
SOLUTION_COUNT
    
Integer(value = 1)
    
Integer(value = 1)
    
OK
  
  

    
BFACTOR
    

  

  
Bfactor(value = 0.201)


    

  

  
Bfactor(value = 0.202)


    
OK
  
  

    
SOLUTIONS
    

  
Solution(
  Molecule(
    ensemble = ens1bik,
    rotation = ( 321.40, 21.14, 204.27 ),
    translation = ( 0.62263, -0.19923, -0.52843 )
    )

)

    

  
Solution(
  Molecule(
    ensemble = ens1bik,
    rotation = ( 321.39, 21.13, 204.28 ),
    translation = ( 0.62266, -0.19937, -0.52816 )
    )

)

    
OK
  

Back to comparisons
vrms_refinement

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
VRMS_RMS
    

  

  

  
VRMS(value = 0.797)



    

  

  

  
VRMS(value = 0.800)



    
OK
  
  

    
VRMS_ENSEMBLE
    

  

  
Text(value = ens1bik)


    

  

  
Text(value = ens1bik)


    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 8, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 67: tstl_frf_iod - python
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

rotation_function
symmetry_information

rotation_function

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_COUNT
    
Integer(value = 9)
    
Integer(value = 9)
    
OK
  
  

    
SOLUTION_ANNOTATION
    
Text(value = )
    
Text(value = )
    
OK
  
  

    
SOLUTIONS
    

  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 48.97, 64.98, 317.98 )
  )
  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 55.08, 73.60, 154.18 )
  )
  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 75.89, 82.25, 312.90 )
  )
  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 14.45, 74.54, 143.18 )
  )
  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 65.23, 42.04, 155.12 )
  )
  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 43.44, 75.61, 321.53 )
  )
  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 22.43, 45.96, 151.29 )
  )
  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 82.04, 33.98, 121.46 )
  )
  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 81.64, 46.51, 197.67 )
  )

    

  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 48.97, 64.98, 317.98 )
  )
  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 55.08, 73.60, 154.18 )
  )
  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 75.89, 82.25, 312.90 )
  )
  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 14.45, 74.54, 143.18 )
  )
  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 65.23, 42.04, 155.12 )
  )
  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 43.44, 75.61, 321.53 )
  )
  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 22.43, 45.96, 151.29 )
  )
  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 82.04, 33.98, 121.46 )
  )
  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 81.64, 46.51, 197.67 )
  )

    
OK
  
  

    
SOLUTION_SCORES
    

  
RFScore(value = -2.985)
  
RFScore(value = -9.811)
  
RFScore(value = -10.588)
  
RFScore(value = -11.556)
  
RFScore(value = -13.272)
  
RFScore(value = -13.417)
  
RFScore(value = -15.142)
  
RFScore(value = -15.173)
  
RFScore(value = -15.354)

    

  
RFScore(value = -2.985)
  
RFScore(value = -9.811)
  
RFScore(value = -10.588)
  
RFScore(value = -11.556)
  
RFScore(value = -13.272)
  
RFScore(value = -13.417)
  
RFScore(value = -15.142)
  
RFScore(value = -15.173)
  
RFScore(value = -15.354)

    
OK
  
  

    
SOLUTION_Z_SCORES
    

  
ZScore(value = 4.7022)
  
ZScore(value = 4.0562)
  
ZScore(value = 3.9826)
  
ZScore(value = 3.8910)
  
ZScore(value = 3.7286)
  
ZScore(value = 3.7148)
  
ZScore(value = 3.5517)
  
ZScore(value = 3.5487)
  
ZScore(value = 3.5316)

    

  
ZScore(value = 4.7022)
  
ZScore(value = 4.0562)
  
ZScore(value = 3.9826)
  
ZScore(value = 3.8910)
  
ZScore(value = 3.7286)
  
ZScore(value = 3.7148)
  
ZScore(value = 3.5517)
  
ZScore(value = 3.5487)
  
ZScore(value = 3.5316)

    
OK
  

Back to comparisons
symmetry_information

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
UNIT_CELL
    

  
CellAxis(value = 78.110)
  
CellAxis(value = 78.110)
  
CellAxis(value = 37.010)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    

  
CellAxis(value = 78.110)
  
CellAxis(value = 78.110)
  
CellAxis(value = 37.010)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 6, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 68: tstl_frf_iod - script
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

rotation_function
symmetry_information

rotation_function

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_COUNT
    
Integer(value = 9)
    
Integer(value = 9)
    
OK
  
  

    
SOLUTION_ANNOTATION
    
Text(value = )
    
Text(value = )
    
OK
  
  

    
SOLUTIONS
    

  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 48.97, 64.98, 317.98 )
  )
  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 55.08, 73.60, 154.18 )
  )
  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 75.89, 82.25, 312.90 )
  )
  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 14.45, 74.54, 143.18 )
  )
  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 65.23, 42.04, 155.12 )
  )
  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 43.44, 75.61, 321.53 )
  )
  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 22.43, 45.96, 151.29 )
  )
  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 82.04, 33.98, 121.46 )
  )
  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 81.64, 46.51, 197.67 )
  )

    

  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 48.97, 64.98, 317.98 )
  )
  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 55.08, 73.60, 154.18 )
  )
  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 75.89, 82.25, 312.90 )
  )
  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 14.45, 74.54, 143.18 )
  )
  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 65.23, 42.04, 155.12 )
  )
  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 43.44, 75.61, 321.52 )
  )
  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 22.43, 45.96, 151.29 )
  )
  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 82.05, 33.98, 121.46 )
  )
  
RotationPeak(
  ensemble = lactalbumin,
  rotation = ( 81.64, 46.51, 197.67 )
  )

    
OK
  
  

    
SOLUTION_SCORES
    

  
RFScore(value = -2.985)
  
RFScore(value = -9.811)
  
RFScore(value = -10.588)
  
RFScore(value = -11.556)
  
RFScore(value = -13.272)
  
RFScore(value = -13.417)
  
RFScore(value = -15.142)
  
RFScore(value = -15.173)
  
RFScore(value = -15.354)

    

  
RFScore(value = -2.980)
  
RFScore(value = -9.810)
  
RFScore(value = -10.590)
  
RFScore(value = -11.560)
  
RFScore(value = -13.270)
  
RFScore(value = -13.420)
  
RFScore(value = -15.140)
  
RFScore(value = -15.170)
  
RFScore(value = -15.350)

    
OK
  
  

    
SOLUTION_Z_SCORES
    

  
ZScore(value = 4.7022)
  
ZScore(value = 4.0562)
  
ZScore(value = 3.9826)
  
ZScore(value = 3.8910)
  
ZScore(value = 3.7286)
  
ZScore(value = 3.7148)
  
ZScore(value = 3.5517)
  
ZScore(value = 3.5487)
  
ZScore(value = 3.5316)

    

  
ZScore(value = 4.7000)
  
ZScore(value = 4.0600)
  
ZScore(value = 3.9800)
  
ZScore(value = 3.8900)
  
ZScore(value = 3.7300)
  
ZScore(value = 3.7100)
  
ZScore(value = 3.5500)
  
ZScore(value = 3.5500)
  
ZScore(value = 3.5300)

    
OK
  

Back to comparisons
symmetry_information

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
UNIT_CELL
    

  
CellAxis(value = 78.110)
  
CellAxis(value = 78.110)
  
CellAxis(value = 37.010)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    

  
CellAxis(value = 78.110)
  
CellAxis(value = 78.110)
  
CellAxis(value = 37.010)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 6, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 69: tstb_ep_sav_ca_s_cl - python
ERROR
Jump to output, traceback or message
Output:
Temporary folder: /tmp/tmpz2jq50
# Running test with phaser python interface using crash-safe mode #
Temporary folder contents:
/tmp/tmpz2jq50:
	tmpZ6GC9v.out.pickle
	tmpvI6KQZ.in.pickle
Cleaning up temporary folder...done


Back to test
Full traceback:
Traceback (most recent call last):
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_runner.py", line 1048, in run_multiple_tests
    resfilesuffix = params.suffix
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_runner.py", line 181, in run_test_and_compare
    resfilesuffix = resfilesuffix,
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_runner.py", line 116, in execute_test
    resfilesuffix = resfilesuffix,
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_run_engine.py", line 68, in python_safe
    raise RuntimeError( "Error exit from process")
RuntimeError: Error exit from process


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ERROR: Error exit from process
Test 70: tstb_ep_sav_ca_s_cl - script
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Output:


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Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

sad_specific_statistics
ep_dataset_statistics
ep_phasing_statistics

sad_specific_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
F_PRIME
    

  
ScatteringFactor(value = 0.34)
  
ScatteringFactor(value = 0.32)
  
ScatteringFactor(value = 0.35)

    

  
ScatteringFactor(value = 0.34)
  
ScatteringFactor(value = 0.32)
  
ScatteringFactor(value = 0.35)

    
OK
  
  

    
F_ELEM
    

  
Text(value = CA)
  
Text(value = S)
  
Text(value = CL)

    

  
Text(value = CA)
  
Text(value = S)
  
Text(value = CL)

    
OK
  
  

    
F_DOUBLEPRIME
    

  
ScatteringFactor(value = 1.29)
  
ScatteringFactor(value = 0.56)
  
ScatteringFactor(value = 0.70)

    

  
ScatteringFactor(value = 1.29)
  
ScatteringFactor(value = 0.56)
  
ScatteringFactor(value = 0.70)

    
OK
  

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ep_dataset_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
MILLER_SIZE
    
Integer(value = 10052)
    
Integer(value = 10052)
    
OK
  

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ep_phasing_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
LLG
    
SAD_LLG(value = -943.0)
    
SAD_LLG(value = -943.0)
    
OK
  
  

    
ATOMS_COUNT
    
Integer(value = 15)
    
Integer(value = 15)
    
OK
  
  

    
ATOMS
    
AtomSet(
  Atom CA(
    coords = ( 0.73956, 0.09380, 0.17228 ),
    occ = 1.117,
    uiso = 0.0502
    )
,
  Atom CA(
    coords = ( 0.35517, 0.14018, 0.67648 ),
    occ = 0.988,
    uiso = 0.0623
    )
,
  Atom CA(
    coords = ( 0.23964, 0.16242, 0.22258 ),
    occ = 0.530,
    uiso = 0.0768
    )
,
  Atom CA(
    coords = ( 0.18595, -0.00580, 0.55640 ),
    occ = 0.706,
    uiso = 0.1341
    )
,
  Atom S(
    coords = ( 0.09864, 0.24933, 0.75192 ),
    occ = 0.818,
    uiso = 0.0472
    )
,
  Atom S(
    coords = ( 0.08983, 0.37904, 0.46094 ),
    occ = 0.971,
    uiso = 0.0240
    )
,
  Atom CL(
    coords = ( 0.00647, 0.61603, 0.01791 ),
    occ = 0.871,
    uiso = 0.0341
    )
,
  Atom S(
    coords = ( 0.00399, 0.30810, 0.11535 ),
    occ = 0.804,
    uiso = 0.0397
    )
,
  Atom S(
    coords = ( 0.14118, 0.51500, 0.04946 ),
    occ = 0.540,
    uiso = 0.0534
    )
,
  Atom S(
    coords = ( 0.24696, 0.11431, 0.49387 ),
    occ = 0.865,
    uiso = 0.0254
    )
,
  Atom S(
    coords = ( 0.01992, 0.25277, 0.43924 ),
    occ = 0.624,
    uiso = 0.0027
    )
,
  Atom S(
    coords = ( 0.04072, 0.50399, 0.18336 ),
    occ = 0.506,
    uiso = 0.0638
    )
,
  Atom S(
    coords = ( 0.18350, 0.59883, 0.52057 ),
    occ = 0.405,
    uiso = 0.0175
    )
,
  Atom S(
    coords = ( 0.21418, 0.20427, 0.10407 ),
    occ = 0.520,
    uiso = 0.0186
    )
,
  Atom S(
    coords = ( 0.07284, 0.49458, 0.03524 ),
    occ = 0.393,
    uiso = 0.0264
    )

)
    
AtomSet(
  Atom CA(
    coords = ( 0.73960, 0.09380, 0.17230 ),
    occ = 1.120,
    uiso = 0.0503
    )
,
  Atom CA(
    coords = ( 0.35520, 0.14020, 0.67650 ),
    occ = 0.990,
    uiso = 0.0623
    )
,
  Atom CA(
    coords = ( 0.23960, 0.16240, 0.22260 ),
    occ = 0.530,
    uiso = 0.0768
    )
,
  Atom CA(
    coords = ( 0.18590, -0.00580, 0.55640 ),
    occ = 0.710,
    uiso = 0.1341
    )
,
  Atom S(
    coords = ( 0.09860, 0.24930, 0.75190 ),
    occ = 0.820,
    uiso = 0.0471
    )
,
  Atom S(
    coords = ( 0.08980, 0.37900, 0.46090 ),
    occ = 0.970,
    uiso = 0.0239
    )
,
  Atom CL(
    coords = ( 0.00650, 0.61600, 0.01790 ),
    occ = 0.870,
    uiso = 0.0342
    )
,
  Atom S(
    coords = ( 0.00400, 0.30810, 0.11540 ),
    occ = 0.800,
    uiso = 0.0396
    )
,
  Atom S(
    coords = ( 0.14120, 0.51500, 0.04950 ),
    occ = 0.540,
    uiso = 0.0533
    )
,
  Atom S(
    coords = ( 0.24700, 0.11430, 0.49390 ),
    occ = 0.860,
    uiso = 0.0253
    )
,
  Atom S(
    coords = ( 0.01990, 0.25280, 0.43920 ),
    occ = 0.620,
    uiso = 0.0028
    )
,
  Atom S(
    coords = ( 0.04070, 0.50400, 0.18340 ),
    occ = 0.510,
    uiso = 0.0638
    )
,
  Atom S(
    coords = ( 0.18350, 0.59880, 0.52060 ),
    occ = 0.410,
    uiso = 0.0175
    )
,
  Atom S(
    coords = ( 0.21420, 0.20430, 0.10410 ),
    occ = 0.520,
    uiso = 0.0186
    )
,
  Atom S(
    coords = ( 0.07280, 0.49460, 0.03520 ),
    occ = 0.390,
    uiso = 0.0263
    )

)
    
OK
  

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Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

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OK
Test 71: tst_ftf_toxd - python
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Output:


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Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

translation_function
symmetry_information
solutions

translation_function

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_Z_SCORES
    

  
ZScore(value = 6.7217)

    

  
ZScore(value = 6.7217)

    
OK
  
  

    
SOLUTION_SCORES
    

  
TFScore(value = 27.753)

    

  
TFScore(value = 27.753)

    
OK
  

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symmetry_information

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
UNIT_CELL
    

  
CellAxis(value = 73.582)
  
CellAxis(value = 38.733)
  
CellAxis(value = 23.189)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    

  
CellAxis(value = 73.582)
  
CellAxis(value = 38.733)
  
CellAxis(value = 23.189)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    
OK
  

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solutions

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_ANNOTATIONS
    

  
Text(value =  RFZ=3.7 TFZ=6.7)

    

  
Text(value =  RFZ=3.7 TFZ=6.7)

    
OK
  
  

    
SOLUTION_COUNT
    
Integer(value = 1)
    
Integer(value = 1)
    
OK
  
  

    
BFACTOR
    

  

  
Bfactor(value = 0.000)


    

  

  
Bfactor(value = 0.000)


    
OK
  
  

    
SOLUTIONS
    

  
Solution(
  Molecule(
    ensemble = toxd,
    rotation = ( 146.42, 18.93, 201.21 ),
    translation = ( 0.87826, 0.17452, 0.99506 )
    )

)

    

  
Solution(
  Molecule(
    ensemble = toxd,
    rotation = ( 146.42, 18.93, 201.21 ),
    translation = ( 0.87826, 0.17452, 0.99506 )
    )

)

    
OK
  

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Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 72: tst_ftf_toxd - script
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Output:


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Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

translation_function
symmetry_information
solutions

translation_function

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_Z_SCORES
    

  
ZScore(value = 6.7217)

    

  
ZScore(value = 6.7200)

    
OK
  
  

    
SOLUTION_SCORES
    

  
TFScore(value = 27.753)

    

  
TFScore(value = 27.750)

    
OK
  

Back to comparisons
symmetry_information

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
UNIT_CELL
    

  
CellAxis(value = 73.582)
  
CellAxis(value = 38.733)
  
CellAxis(value = 23.189)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    

  
CellAxis(value = 73.580)
  
CellAxis(value = 38.730)
  
CellAxis(value = 23.190)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    
OK
  

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solutions

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_ANNOTATIONS
    

  
Text(value =  RFZ=3.7 TFZ=6.7)

    

  
Text(value =  RFZ=3.7 TFZ=6.7)

    
OK
  
  

    
SOLUTION_COUNT
    
Integer(value = 1)
    
Integer(value = 1)
    
OK
  
  

    
BFACTOR
    

  

  
Bfactor(value = 0.000)


    

  

  
Bfactor(value = 0.000)


    
OK
  
  

    
SOLUTIONS
    

  
Solution(
  Molecule(
    ensemble = toxd,
    rotation = ( 146.42, 18.93, 201.21 ),
    translation = ( 0.87826, 0.17452, 0.99506 )
    )

)

    

  
Solution(
  Molecule(
    ensemble = toxd,
    rotation = ( 146.42, 18.93, 201.21 ),
    translation = ( 0.87826, 0.17452, 0.99506 )
    )

)

    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 73: tst_auto_toxd - python
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Output:


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Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

auto_pak_rnp_function
vrms_refinement
symmetry_information
solutions

auto_pak_rnp_function

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_SCORES
    

  
LLGScore(value = 173.89)

    

  
LLGScore(value = 173.89)

    
OK
  

Back to comparisons
vrms_refinement

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
VRMS_ENSEMBLE
    

  

  
Text(value = toxd)


    

  

  
Text(value = toxd)


    
OK
  
  

    
VRMS_RMS
    

  

  

  
VRMS(value = 0.922)
  
VRMS(value = 0.901)



    

  

  

  
VRMS(value = 0.922)
  
VRMS(value = 0.901)



    
OK
  

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symmetry_information

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
UNIT_CELL
    

  
CellAxis(value = 73.582)
  
CellAxis(value = 38.733)
  
CellAxis(value = 23.189)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    

  
CellAxis(value = 73.582)
  
CellAxis(value = 38.733)
  
CellAxis(value = 23.189)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    
OK
  

Back to comparisons
solutions

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_COUNT
    
Integer(value = 1)
    
Integer(value = 1)
    
OK
  
  

    
BFACTOR
    

  

  
Bfactor(value = -0.458)


    

  

  
Bfactor(value = -0.458)


    
OK
  
  

    
SOLUTIONS
    

  
Solution(
  Molecule(
    ensemble = toxd,
    rotation = ( 323.31, 21.75, 202.41 ),
    translation = ( 0.61954, -0.19757, -0.55484 )
    )

)

    

  
Solution(
  Molecule(
    ensemble = toxd,
    rotation = ( 323.31, 21.75, 202.41 ),
    translation = ( 0.61954, -0.19757, -0.55484 )
    )

)

    
OK
  


  
Test SOLUTION_ANNOTATIONS disabled
Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 1 tests

Back to test
OK
Test 74: tst_auto_toxd - script
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Output:


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Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

auto_pak_rnp_function
symmetry_information
solutions
vrms_refinement

auto_pak_rnp_function

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_SCORES
    

  
LLGScore(value = 173.89)

    

  
LLGScore(value = 173.90)

    
OK
  

Back to comparisons
symmetry_information

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
UNIT_CELL
    

  
CellAxis(value = 73.582)
  
CellAxis(value = 38.733)
  
CellAxis(value = 23.189)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    

  
CellAxis(value = 73.580)
  
CellAxis(value = 38.730)
  
CellAxis(value = 23.190)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    
OK
  

Back to comparisons
solutions

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_COUNT
    
Integer(value = 1)
    
Integer(value = 1)
    
OK
  
  

    
BFACTOR
    

  

  
Bfactor(value = -0.458)


    

  

  
Bfactor(value = -0.458)


    
OK
  
  

    
SOLUTIONS
    

  
Solution(
  Molecule(
    ensemble = toxd,
    rotation = ( 323.31, 21.75, 202.41 ),
    translation = ( 0.61954, -0.19757, -0.55484 )
    )

)

    

  
Solution(
  Molecule(
    ensemble = toxd,
    rotation = ( 323.31, 21.75, 202.41 ),
    translation = ( 0.61954, -0.19757, -0.55484 )
    )

)

    
OK
  


  
Test SOLUTION_ANNOTATIONS disabled
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vrms_refinement

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
VRMS_RMS
    

  

  

  
VRMS(value = 0.922)
  
VRMS(value = 0.901)



    

  

  

  
VRMS(value = 0.916)
  
VRMS(value = 0.906)



    
OK
  
  

    
VRMS_ENSEMBLE
    

  

  
Text(value = toxd)


    

  

  
Text(value = toxd)


    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 1 tests

Back to test
OK
Test 75: tst_ptf_toxd - python
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

auto_pak_rnp_function
vrms_refinement
symmetry_information
solutions

auto_pak_rnp_function

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_SCORES
    

  
LLGScore(value = 68.42)

    

  
LLGScore(value = 68.43)

    
OK
  

Back to comparisons
vrms_refinement

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
VRMS_ENSEMBLE
    

  

  
Text(value = enstoxd_ed)


    

  

  
Text(value = enstoxd_ed)


    
OK
  
  

    
VRMS_RMS
    

  

  

  
VRMS(value = 0.795)



    

  

  

  
VRMS(value = 0.795)



    
OK
  

Back to comparisons
symmetry_information

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
UNIT_CELL
    

  
CellAxis(value = 73.582)
  
CellAxis(value = 38.733)
  
CellAxis(value = 23.189)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    

  
CellAxis(value = 73.582)
  
CellAxis(value = 38.733)
  
CellAxis(value = 23.189)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    
OK
  

Back to comparisons
solutions

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_ANNOTATIONS
    

  
Text(value =  RFZ=5.3 TFZ=9.1 PAK=0 LLG=66 LLG=68 PAK=0 LLG=68)

    

  
Text(value =  RFZ=5.3 TFZ=9.1 PAK=0 LLG=66 LLG=68 PAK=0 LLG=68)

    
OK
  
  

    
SOLUTION_COUNT
    
Integer(value = 1)
    
Integer(value = 1)
    
OK
  
  

    
BFACTOR
    

  

  
Bfactor(value = 0.160)


    

  

  
Bfactor(value = 0.161)


    
OK
  
  

    
SOLUTIONS
    

  
Solution(
  Molecule(
    ensemble = enstoxd_ed,
    rotation = ( 22.74, 0.98, 336.71 ),
    translation = ( -0.00275, -0.00272, 0.01345 )
    )

)

    

  
Solution(
  Molecule(
    ensemble = enstoxd_ed,
    rotation = ( 157.19, 179.02, 156.65 ),
    translation = ( 0.00275, -0.00274, -0.01345 )
    )

)

    
element 0: Non-matching peaks
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 8, failures: 1, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
ERROR: incorrect results
Test 76: tst_ptf_toxd - script
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

auto_pak_rnp_function
symmetry_information
solutions
vrms_refinement

auto_pak_rnp_function

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_SCORES
    

  
LLGScore(value = 68.42)

    

  
LLGScore(value = 68.40)

    
OK
  

Back to comparisons
symmetry_information

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
UNIT_CELL
    

  
CellAxis(value = 73.582)
  
CellAxis(value = 38.733)
  
CellAxis(value = 23.189)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    

  
CellAxis(value = 73.580)
  
CellAxis(value = 38.730)
  
CellAxis(value = 23.190)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    
OK
  

Back to comparisons
solutions

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_ANNOTATIONS
    

  
Text(value =  RFZ=5.3 TFZ=9.1 PAK=0 LLG=66 LLG=68 PAK=0 LLG=68)

    

  
Text(value =  RFZ=5.3 TFZ=9.1 PAK=0 LLG=66 LLG=68 PAK=0 LLG=68)

    
OK
  
  

    
SOLUTION_COUNT
    
Integer(value = 1)
    
Integer(value = 1)
    
OK
  
  

    
BFACTOR
    

  

  
Bfactor(value = 0.160)


    

  

  
Bfactor(value = 0.161)


    
OK
  
  

    
SOLUTIONS
    

  
Solution(
  Molecule(
    ensemble = enstoxd_ed,
    rotation = ( 22.74, 0.98, 336.71 ),
    translation = ( -0.00275, -0.00272, 0.01345 )
    )

)

    

  
Solution(
  Molecule(
    ensemble = enstoxd_ed,
    rotation = ( 157.19, 179.02, 156.65 ),
    translation = ( 0.00275, -0.00274, -0.01345 )
    )

)

    
element 0: Non-matching peaks
  

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vrms_refinement

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
VRMS_RMS
    

  

  

  
VRMS(value = 0.795)



    

  

  

  
VRMS(value = 0.795)



    
OK
  
  

    
VRMS_ENSEMBLE
    

  

  
Text(value = enstoxd_ed)


    

  

  
Text(value = enstoxd_ed)


    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 8, failures: 1, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
ERROR: incorrect results
Test 77: tstb_ep_trypse - python
ERROR
Jump to output, traceback or message
Output:
Temporary folder: /tmp/tmpjaBEtb
# Running test with phaser python interface using crash-safe mode #
Temporary folder contents:
/tmp/tmpjaBEtb:
	tmpCcKeib.in.pickle
	tmpeCrBtm.out.pickle
Cleaning up temporary folder...done


Back to test
Full traceback:
Traceback (most recent call last):
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_runner.py", line 1048, in run_multiple_tests
    resfilesuffix = params.suffix
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_runner.py", line 181, in run_test_and_compare
    resfilesuffix = resfilesuffix,
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_runner.py", line 116, in execute_test
    resfilesuffix = resfilesuffix,
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_run_engine.py", line 68, in python_safe
    raise RuntimeError( "Error exit from process")
RuntimeError: Error exit from process


Back to test
ERROR: Error exit from process
Test 78: tstb_ep_trypse - script
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

sad_specific_statistics
ep_dataset_statistics
ep_phasing_statistics

sad_specific_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
F_PRIME
    

  
ScatteringFactor(value = -8.00)

    

  
ScatteringFactor(value = -8.00)

    
OK
  
  

    
F_ELEM
    

  
Text(value = SE)

    

  
Text(value = SE)

    
OK
  
  

    
F_DOUBLEPRIME
    

  
ScatteringFactor(value = 5.81)

    

  
ScatteringFactor(value = 5.81)

    
OK
  

Back to comparisons
ep_dataset_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
MILLER_SIZE
    
Integer(value = 6485)
    
Integer(value = 6485)
    
OK
  

Back to comparisons
ep_phasing_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
LLG
    
SAD_LLG(value = -563.4)
    
SAD_LLG(value = -563.4)
    
OK
  
  

    
ATOMS_COUNT
    
Integer(value = 1)
    
Integer(value = 1)
    
OK
  
  

    
ATOMS
    
AtomSet(
  Atom SE(
    coords = ( 0.57624, 0.04815, 0.48168 ),
    occ = 1.469,
    uiso = 0.1781
    )

)
    
AtomSet(
  Atom SE(
    coords = ( 0.57620, 0.04820, 0.48170 ),
    occ = 1.470,
    uiso = 0.1781
    )

)
    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 79: tst_mr_atom_pdb - python
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

ep_dataset_statistics
ep_phasing_statistics

ep_dataset_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
MILLER_SIZE
    
Integer(value = 32226)
    
Integer(value = 32226)
    
OK
  

Back to comparisons
ep_phasing_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
LLG
    
SAD_LLG(value = -1208.3)
    
SAD_LLG(value = -1208.3)
    
OK
  
  

    
ATOMS_COUNT
    
Integer(value = 2)
    
Integer(value = 2)
    
OK
  
  

    
ATOMS
    
AtomSet(
  Atom S(
    coords = ( 0.90751, 0.39970, 0.35138 ),
    occ = 3.592,
    uiso = 0.0658
    )
,
  Atom S(
    coords = ( 0.55209, 0.46316, 0.04472 ),
    occ = 0.973,
    uiso = 0.0715
    )

)
    
AtomSet(
  Atom S(
    coords = ( 0.90751, 0.39970, 0.35138 ),
    occ = 3.592,
    uiso = 0.0658
    )
,
  Atom S(
    coords = ( 0.55209, 0.46316, 0.04472 ),
    occ = 0.973,
    uiso = 0.0715
    )

)
    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 4, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 80: tst_mr_atom_pdb - script
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

ep_dataset_statistics
ep_phasing_statistics

ep_dataset_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
MILLER_SIZE
    
Integer(value = 32226)
    
Integer(value = 32226)
    
OK
  

Back to comparisons
ep_phasing_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
LLG
    
SAD_LLG(value = -1208.3)
    
SAD_LLG(value = -1208.3)
    
OK
  
  

    
ATOMS_COUNT
    
Integer(value = 2)
    
Integer(value = 2)
    
OK
  
  

    
ATOMS
    
AtomSet(
  Atom S(
    coords = ( 0.90751, 0.39970, 0.35138 ),
    occ = 3.592,
    uiso = 0.0658
    )
,
  Atom S(
    coords = ( 0.55209, 0.46316, 0.04472 ),
    occ = 0.973,
    uiso = 0.0715
    )

)
    
AtomSet(
  Atom S(
    coords = ( 0.90750, 0.39970, 0.35140 ),
    occ = 3.590,
    uiso = 0.0659
    )
,
  Atom S(
    coords = ( 0.55210, 0.46320, 0.04470 ),
    occ = 0.970,
    uiso = 0.0716
    )

)
    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 4, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 81: tst_mr_atom_fullsearch_pdb - python
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

ep_dataset_statistics
ep_phasing_statistics

ep_dataset_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
MILLER_SIZE
    
Integer(value = 32226)
    
Integer(value = 32226)
    
OK
  

Back to comparisons
ep_phasing_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
LLG
    
SAD_LLG(value = -4780.8)
    
SAD_LLG(value = -4780.8)
    
OK
  
  

    
ATOMS_COUNT
    
Integer(value = 111)
    
Integer(value = 111)
    
OK
  
  

    
ATOMS
    
AtomSet(
  Atom S(
    coords = ( 0.90752, 0.39986, 0.35131 ),
    occ = 3.721,
    uiso = 0.0680
    )
,
  Atom S(
    coords = ( 0.57178, 0.52135, 0.48642 ),
    occ = 0.928,
    uiso = 0.0822
    )
,
  Atom N(
    coords = ( 0.08916, 0.53630, 0.28845 ),
    occ = 2.448,
    uiso = 0.0553
    )
,
  Atom N(
    coords = ( 0.04377, 0.53589, 0.37822 ),
    occ = 0.811,
    uiso = 0.0280
    )
,
  Atom N(
    coords = ( 0.04127, 0.39439, 0.23907 ),
    occ = 0.576,
    uiso = 0.0365
    )
,
  Atom N(
    coords = ( 0.24889, 0.52680, 0.36759 ),
    occ = 1.706,
    uiso = 0.0700
    )
,
  Atom N(
    coords = ( 0.26889, 0.65347, 0.51444 ),
    occ = 1.140,
    uiso = 0.0456
    )
,
  Atom N(
    coords = ( 0.20158, 0.48685, 0.68306 ),
    occ = 1.409,
    uiso = 0.0664
    )
,
  Atom N(
    coords = ( 0.22032, 0.59099, 0.42787 ),
    occ = 1.239,
    uiso = 0.0520
    )
,
  Atom N(
    coords = ( 0.11370, 0.53078, 0.09292 ),
    occ = 0.994,
    uiso = 0.0567
    )
,
  Atom N(
    coords = ( 0.26019, 0.64765, 0.18333 ),
    occ = 0.726,
    uiso = 0.0195
    )
,
  Atom N(
    coords = ( 0.26095, 0.67466, 0.45192 ),
    occ = 1.399,
    uiso = 0.0658
    )
,
  Atom N(
    coords = ( 0.12840, 0.56525, 0.68379 ),
    occ = 1.582,
    uiso = 0.0874
    )
,
  Atom N(
    coords = ( 0.16007, 0.56795, 0.47498 ),
    occ = 0.828,
    uiso = 0.0221
    )
,
  Atom N(
    coords = ( 0.07406, 0.51923, 0.40419 ),
    occ = 1.397,
    uiso = 0.0624
    )
,
  Atom N(
    coords = ( 0.23027, 0.60389, 0.49204 ),
    occ = 1.038,
    uiso = 0.0478
    )
,
  Atom N(
    coords = ( 0.15648, 0.52797, 0.66206 ),
    occ = 1.048,
    uiso = 0.0538
    )
,
  Atom N(
    coords = ( 0.08174, 0.46029, 0.36101 ),
    occ = 1.287,
    uiso = 0.0659
    )
,
  Atom N(
    coords = ( 0.01408, 0.50596, 0.26066 ),
    occ = 1.585,
    uiso = 0.0881
    )
,
  Atom N(
    coords = ( 0.04925, 0.47940, 0.34265 ),
    occ = 1.719,
    uiso = 0.0947
    )
,
  Atom N(
    coords = ( -0.00421, 0.44806, 0.28093 ),
    occ = 0.469,
    uiso = 0.0303
    )
,
  Atom N(
    coords = ( 0.16042, 0.55189, 0.41921 ),
    occ = 0.934,
    uiso = 0.0564
    )
,
  Atom N(
    coords = ( 0.01529, 0.53449, 0.43745 ),
    occ = 1.417,
    uiso = 0.0710
    )
,
  Atom N(
    coords = ( 0.09819, 0.48826, 0.70892 ),
    occ = 1.791,
    uiso = 0.1077
    )
,
  Atom N(
    coords = ( 0.16414, 0.50156, 0.62371 ),
    occ = 1.511,
    uiso = 0.0699
    )
,
  Atom N(
    coords = ( 0.17896, 0.54264, 0.37271 ),
    occ = 0.904,
    uiso = 0.0586
    )
,
  Atom N(
    coords = ( 0.01117, 0.52859, 0.24439 ),
    occ = 0.453,
    uiso = 0.0090
    )
,
  Atom N(
    coords = ( 0.31771, 0.64238, 0.44115 ),
    occ = 0.629,
    uiso = 0.0236
    )
,
  Atom N(
    coords = ( 0.04658, 0.39260, 0.45915 ),
    occ = 0.716,
    uiso = 0.0420
    )
,
  Atom N(
    coords = ( 0.13206, 0.55285, 0.43336 ),
    occ = 1.081,
    uiso = 0.0514
    )
,
  Atom N(
    coords = ( 0.02888, 0.44289, 0.38288 ),
    occ = 1.744,
    uiso = 0.1082
    )
,
  Atom N(
    coords = ( 0.22602, 0.53614, 0.85035 ),
    occ = 0.846,
    uiso = 0.0396
    )
,
  Atom N(
    coords = ( 0.08860, 0.43639, 0.28726 ),
    occ = 0.356,
    uiso = 0.0013
    )
,
  Atom N(
    coords = ( 0.31078, 0.62754, 0.79441 ),
    occ = 1.068,
    uiso = 0.0464
    )
,
  Atom N(
    coords = ( 0.00909, 0.36876, 0.23139 ),
    occ = 0.638,
    uiso = 0.0364
    )
,
  Atom N(
    coords = ( 0.27968, 0.62389, 0.85483 ),
    occ = 0.888,
    uiso = 0.0395
    )
,
  Atom N(
    coords = ( 0.08287, 0.44822, 0.64465 ),
    occ = 1.489,
    uiso = 0.0812
    )
,
  Atom N(
    coords = ( 0.00397, 0.55701, 0.99254 ),
    occ = 0.798,
    uiso = 0.0421
    )
,
  Atom N(
    coords = ( 0.12487, 0.60580, 0.39054 ),
    occ = 1.465,
    uiso = 0.0793
    )
,
  Atom N(
    coords = ( 0.06049, 0.44012, 0.29183 ),
    occ = 0.859,
    uiso = 0.0509
    )
,
  Atom N(
    coords = ( 0.01305, 0.48490, 0.40451 ),
    occ = 0.715,
    uiso = 0.0441
    )
,
  Atom N(
    coords = ( 0.06162, 0.37502, 0.19762 ),
    occ = 0.851,
    uiso = 0.0570
    )
,
  Atom N(
    coords = ( 0.03530, 0.63188, -0.00197 ),
    occ = 1.267,
    uiso = 0.0928
    )
,
  Atom N(
    coords = ( 0.09028, 0.50105, 0.64109 ),
    occ = 1.019,
    uiso = 0.0735
    )
,
  Atom N(
    coords = ( 0.27558, 0.56759, 0.82746 ),
    occ = 0.729,
    uiso = 0.0308
    )
,
  Atom N(
    coords = ( 0.06551, 0.47595, 0.12560 ),
    occ = 1.230,
    uiso = 0.0780
    )
,
  Atom N(
    coords = ( 0.30359, 0.68827, 0.82630 ),
    occ = 1.810,
    uiso = 0.0770
    )
,
  Atom N(
    coords = ( 0.14532, 0.47138, 0.69357 ),
    occ = 0.957,
    uiso = 0.0643
    )
,
  Atom N(
    coords = ( 0.02461, 0.30685, 0.21959 ),
    occ = 1.440,
    uiso = 0.0929
    )
,
  Atom N(
    coords = ( 0.12673, 0.54631, 0.61099 ),
    occ = 1.110,
    uiso = 0.0776
    )
,
  Atom N(
    coords = ( 0.00875, 0.57423, 0.62812 ),
    occ = 0.589,
    uiso = 0.0457
    )
,
  Atom N(
    coords = ( 0.26744, 0.67766, 0.31493 ),
    occ = 1.433,
    uiso = 0.1058
    )
,
  Atom N(
    coords = ( 0.28577, 0.62066, 0.45631 ),
    occ = 1.043,
    uiso = 0.0529
    )
,
  Atom N(
    coords = ( 0.19021, 0.72456, 0.96004 ),
    occ = 1.172,
    uiso = 0.0865
    )
,
  Atom N(
    coords = ( 0.02202, 0.57525, 0.16164 ),
    occ = 1.250,
    uiso = 0.1014
    )
,
  Atom N(
    coords = ( 0.05882, 0.57863, 0.20063 ),
    occ = 0.370,
    uiso = 0.0033
    )
,
  Atom N(
    coords = ( 0.18947, 0.61476, 0.41599 ),
    occ = 0.956,
    uiso = 0.0448
    )
,
  Atom N(
    coords = ( 0.23214, 0.47792, 0.61572 ),
    occ = 0.722,
    uiso = 0.0462
    )
,
  Atom N(
    coords = ( -0.00029, 0.40289, 0.20173 ),
    occ = 0.838,
    uiso = 0.0448
    )
,
  Atom N(
    coords = ( 0.22035, 0.76241, 0.99319 ),
    occ = 1.190,
    uiso = 0.0709
    )
,
  Atom N(
    coords = ( 0.13780, 0.43621, 0.69779 ),
    occ = 0.790,
    uiso = 0.0626
    )
,
  Atom N(
    coords = ( 0.08999, 0.62068, 0.42895 ),
    occ = 0.509,
    uiso = 0.0181
    )
,
  Atom N(
    coords = ( 0.18969, 0.63574, 0.51692 ),
    occ = 0.995,
    uiso = 0.0670
    )
,
  Atom N(
    coords = ( 0.09666, 0.35509, 0.43011 ),
    occ = 1.574,
    uiso = 0.0977
    )
,
  Atom N(
    coords = ( 0.15032, 0.54227, 0.39009 ),
    occ = 0.845,
    uiso = 0.0438
    )
,
  Atom N(
    coords = ( 0.21295, 0.60182, 0.74016 ),
    occ = 0.665,
    uiso = 0.0245
    )
,
  Atom N(
    coords = ( 0.31001, 0.65086, 0.41329 ),
    occ = 0.510,
    uiso = 0.0220
    )
,
  Atom N(
    coords = ( 0.06907, 0.59015, 0.66793 ),
    occ = 0.712,
    uiso = 0.0431
    )
,
  Atom N(
    coords = ( 0.14206, 0.78012, 0.97874 ),
    occ = 0.766,
    uiso = 0.0640
    )
,
  Atom N(
    coords = ( 0.20939, 0.58804, 0.69278 ),
    occ = 0.567,
    uiso = 0.0246
    )
,
  Atom N(
    coords = ( 0.01180, 0.34306, 0.49905 ),
    occ = 1.113,
    uiso = 0.0748
    )
,
  Atom N(
    coords = ( 0.15826, 0.40262, 0.67448 ),
    occ = 1.172,
    uiso = 0.0760
    )
,
  Atom N(
    coords = ( 0.21812, 0.74886, 0.96861 ),
    occ = 0.636,
    uiso = 0.0467
    )
,
  Atom N(
    coords = ( 0.21801, 0.64763, 0.78118 ),
    occ = 0.970,
    uiso = 0.0503
    )
,
  Atom N(
    coords = ( 0.18802, 0.74855, 0.90001 ),
    occ = 1.194,
    uiso = 0.0786
    )
,
  Atom N(
    coords = ( 0.20760, 0.52932, 0.50651 ),
    occ = 0.549,
    uiso = 0.0187
    )
,
  Atom N(
    coords = ( 0.17330, 0.65455, 0.93234 ),
    occ = 0.586,
    uiso = 0.0472
    )
,
  Atom N(
    coords = ( 0.26002, 0.72124, 0.93426 ),
    occ = 0.704,
    uiso = 0.0382
    )
,
  Atom N(
    coords = ( 0.18941, 0.40910, 0.61017 ),
    occ = 1.086,
    uiso = 0.0580
    )
,
  Atom N(
    coords = ( 0.02051, 0.33521, 0.39859 ),
    occ = 1.021,
    uiso = 0.0589
    )
,
  Atom N(
    coords = ( 0.13664, 0.62943, 0.45938 ),
    occ = 0.888,
    uiso = 0.0496
    )
,
  Atom N(
    coords = ( 0.28290, 0.65978, 0.36504 ),
    occ = 0.999,
    uiso = 0.0543
    )
,
  Atom N(
    coords = ( 0.24392, 0.51524, 0.61693 ),
    occ = 1.028,
    uiso = 0.0737
    )
,
  Atom N(
    coords = ( 0.14503, 0.69481, 0.89310 ),
    occ = 1.155,
    uiso = 0.0777
    )
,
  Atom N(
    coords = ( 0.20632, 0.64506, 0.46837 ),
    occ = 0.869,
    uiso = 0.0410
    )
,
  Atom N(
    coords = ( 0.07132, 0.41724, 0.43765 ),
    occ = 0.660,
    uiso = 0.0365
    )
,
  Atom N(
    coords = ( 0.00158, 0.58005, 0.39835 ),
    occ = 0.970,
    uiso = 0.0756
    )
,
  Atom N(
    coords = ( 0.28655, 0.61059, 0.48162 ),
    occ = 0.762,
    uiso = 0.0336
    )
,
  Atom N(
    coords = ( 0.04818, 0.36245, 0.46121 ),
    occ = 0.923,
    uiso = 0.0806
    )
,
  Atom N(
    coords = ( 0.16174, 0.53109, 0.95482 ),
    occ = 0.294,
    uiso = 0.0125
    )
,
  Atom N(
    coords = ( 0.17704, 0.49394, 0.68343 ),
    occ = 0.436,
    uiso = 0.0282
    )
,
  Atom N(
    coords = ( 0.18494, 0.52755, 0.67582 ),
    occ = 0.906,
    uiso = 0.0631
    )
,
  Atom N(
    coords = ( 0.06294, 0.53035, 0.07207 ),
    occ = 0.795,
    uiso = 0.0481
    )
,
  Atom N(
    coords = ( 0.11197, 0.54018, 0.16497 ),
    occ = 0.791,
    uiso = 0.0523
    )
,
  Atom N(
    coords = ( 0.01163, 0.57898, 0.93927 ),
    occ = 0.469,
    uiso = 0.0112
    )
,
  Atom N(
    coords = ( 0.23021, 0.65795, 0.44641 ),
    occ = 0.455,
    uiso = 0.0094
    )
,
  Atom N(
    coords = ( 0.25430, 0.71992, 0.90666 ),
    occ = 0.551,
    uiso = 0.0337
    )
,
  Atom N(
    coords = ( 0.06889, 0.56080, 0.20269 ),
    occ = 1.063,
    uiso = 0.0639
    )
,
  Atom N(
    coords = ( 0.16267, 0.43170, 0.38978 ),
    occ = 0.874,
    uiso = 0.0814
    )
,
  Atom N(
    coords = ( 0.11738, 0.51152, 0.62193 ),
    occ = 0.373,
    uiso = 0.0013
    )
,
  Atom N(
    coords = ( 0.14380, 0.75609, 0.93691 ),
    occ = 1.038,
    uiso = 0.0772
    )
,
  Atom N(
    coords = ( 0.16187, 0.55185, 0.06649 ),
    occ = 0.859,
    uiso = 0.0606
    )
,
  Atom N(
    coords = ( 0.21804, 0.65211, 0.49516 ),
    occ = 0.668,
    uiso = 0.0396
    )
,
  Atom N(
    coords = ( 0.03492, 0.51860, 0.23905 ),
    occ = 0.126,
    uiso = 0.0369
    )
,
  Atom N(
    coords = ( 0.03836, 0.56655, 0.24968 ),
    occ = 0.552,
    uiso = 0.0398
    )
,
  Atom N(
    coords = ( 0.19306, 0.55023, 0.70162 ),
    occ = 0.710,
    uiso = 0.0539
    )
,
  Atom N(
    coords = ( 0.31193, 0.64955, 0.19058 ),
    occ = 0.776,
    uiso = 0.0387
    )
,
  Atom N(
    coords = ( 0.14414, 0.41948, 0.67309 ),
    occ = 0.370,
    uiso = 0.0091
    )
,
  Atom N(
    coords = ( 0.17183, 0.77721, 0.98932 ),
    occ = 0.500,
    uiso = 0.0366
    )
,
  Atom N(
    coords = ( 0.04638, 0.46042, 0.67123 ),
    occ = 0.710,
    uiso = 0.0464
    )
,
  Atom N(
    coords = ( 0.24835, 0.57685, 0.10504 ),
    occ = 1.058,
    uiso = 0.0731
    )

)
    
AtomSet(
  Atom S(
    coords = ( 0.90752, 0.39986, 0.35131 ),
    occ = 3.721,
    uiso = 0.0680
    )
,
  Atom S(
    coords = ( 0.57178, 0.52135, 0.48642 ),
    occ = 0.928,
    uiso = 0.0822
    )
,
  Atom N(
    coords = ( 0.08916, 0.53630, 0.28845 ),
    occ = 2.448,
    uiso = 0.0553
    )
,
  Atom N(
    coords = ( 0.04377, 0.53589, 0.37822 ),
    occ = 0.811,
    uiso = 0.0280
    )
,
  Atom N(
    coords = ( 0.04127, 0.39439, 0.23907 ),
    occ = 0.576,
    uiso = 0.0365
    )
,
  Atom N(
    coords = ( 0.24889, 0.52680, 0.36759 ),
    occ = 1.706,
    uiso = 0.0700
    )
,
  Atom N(
    coords = ( 0.26889, 0.65347, 0.51444 ),
    occ = 1.140,
    uiso = 0.0456
    )
,
  Atom N(
    coords = ( 0.20158, 0.48685, 0.68306 ),
    occ = 1.409,
    uiso = 0.0664
    )
,
  Atom N(
    coords = ( 0.22032, 0.59099, 0.42787 ),
    occ = 1.239,
    uiso = 0.0520
    )
,
  Atom N(
    coords = ( 0.11370, 0.53078, 0.09292 ),
    occ = 0.994,
    uiso = 0.0567
    )
,
  Atom N(
    coords = ( 0.26019, 0.64765, 0.18333 ),
    occ = 0.726,
    uiso = 0.0195
    )
,
  Atom N(
    coords = ( 0.26095, 0.67466, 0.45192 ),
    occ = 1.399,
    uiso = 0.0658
    )
,
  Atom N(
    coords = ( 0.12840, 0.56525, 0.68379 ),
    occ = 1.582,
    uiso = 0.0874
    )
,
  Atom N(
    coords = ( 0.16007, 0.56795, 0.47498 ),
    occ = 0.828,
    uiso = 0.0221
    )
,
  Atom N(
    coords = ( 0.07406, 0.51923, 0.40419 ),
    occ = 1.397,
    uiso = 0.0624
    )
,
  Atom N(
    coords = ( 0.23027, 0.60389, 0.49204 ),
    occ = 1.038,
    uiso = 0.0478
    )
,
  Atom N(
    coords = ( 0.15648, 0.52797, 0.66206 ),
    occ = 1.048,
    uiso = 0.0538
    )
,
  Atom N(
    coords = ( 0.08174, 0.46029, 0.36101 ),
    occ = 1.287,
    uiso = 0.0659
    )
,
  Atom N(
    coords = ( 0.01408, 0.50596, 0.26066 ),
    occ = 1.585,
    uiso = 0.0881
    )
,
  Atom N(
    coords = ( 0.04925, 0.47940, 0.34265 ),
    occ = 1.719,
    uiso = 0.0947
    )
,
  Atom N(
    coords = ( -0.00421, 0.44806, 0.28093 ),
    occ = 0.469,
    uiso = 0.0303
    )
,
  Atom N(
    coords = ( 0.16042, 0.55189, 0.41921 ),
    occ = 0.934,
    uiso = 0.0564
    )
,
  Atom N(
    coords = ( 0.01529, 0.53449, 0.43745 ),
    occ = 1.417,
    uiso = 0.0710
    )
,
  Atom N(
    coords = ( 0.09819, 0.48826, 0.70892 ),
    occ = 1.791,
    uiso = 0.1077
    )
,
  Atom N(
    coords = ( 0.16414, 0.50156, 0.62371 ),
    occ = 1.511,
    uiso = 0.0699
    )
,
  Atom N(
    coords = ( 0.17896, 0.54264, 0.37271 ),
    occ = 0.904,
    uiso = 0.0586
    )
,
  Atom N(
    coords = ( 0.01117, 0.52859, 0.24439 ),
    occ = 0.453,
    uiso = 0.0090
    )
,
  Atom N(
    coords = ( 0.31771, 0.64238, 0.44115 ),
    occ = 0.629,
    uiso = 0.0236
    )
,
  Atom N(
    coords = ( 0.04658, 0.39260, 0.45915 ),
    occ = 0.716,
    uiso = 0.0420
    )
,
  Atom N(
    coords = ( 0.13206, 0.55285, 0.43336 ),
    occ = 1.081,
    uiso = 0.0514
    )
,
  Atom N(
    coords = ( 0.02888, 0.44289, 0.38288 ),
    occ = 1.744,
    uiso = 0.1082
    )
,
  Atom N(
    coords = ( 0.22602, 0.53614, 0.85035 ),
    occ = 0.846,
    uiso = 0.0396
    )
,
  Atom N(
    coords = ( 0.08860, 0.43639, 0.28726 ),
    occ = 0.356,
    uiso = 0.0013
    )
,
  Atom N(
    coords = ( 0.31078, 0.62754, 0.79441 ),
    occ = 1.068,
    uiso = 0.0464
    )
,
  Atom N(
    coords = ( 0.00909, 0.36876, 0.23139 ),
    occ = 0.638,
    uiso = 0.0364
    )
,
  Atom N(
    coords = ( 0.27968, 0.62389, 0.85483 ),
    occ = 0.888,
    uiso = 0.0395
    )
,
  Atom N(
    coords = ( 0.08287, 0.44822, 0.64465 ),
    occ = 1.489,
    uiso = 0.0812
    )
,
  Atom N(
    coords = ( 0.00397, 0.55701, 0.99254 ),
    occ = 0.798,
    uiso = 0.0421
    )
,
  Atom N(
    coords = ( 0.12487, 0.60580, 0.39054 ),
    occ = 1.465,
    uiso = 0.0793
    )
,
  Atom N(
    coords = ( 0.06049, 0.44012, 0.29183 ),
    occ = 0.859,
    uiso = 0.0509
    )
,
  Atom N(
    coords = ( 0.01305, 0.48490, 0.40451 ),
    occ = 0.715,
    uiso = 0.0441
    )
,
  Atom N(
    coords = ( 0.06162, 0.37502, 0.19762 ),
    occ = 0.851,
    uiso = 0.0570
    )
,
  Atom N(
    coords = ( 0.03530, 0.63188, -0.00197 ),
    occ = 1.267,
    uiso = 0.0928
    )
,
  Atom N(
    coords = ( 0.09028, 0.50105, 0.64109 ),
    occ = 1.019,
    uiso = 0.0735
    )
,
  Atom N(
    coords = ( 0.27558, 0.56759, 0.82746 ),
    occ = 0.729,
    uiso = 0.0308
    )
,
  Atom N(
    coords = ( 0.06551, 0.47595, 0.12560 ),
    occ = 1.230,
    uiso = 0.0780
    )
,
  Atom N(
    coords = ( 0.30359, 0.68827, 0.82630 ),
    occ = 1.810,
    uiso = 0.0770
    )
,
  Atom N(
    coords = ( 0.14532, 0.47138, 0.69357 ),
    occ = 0.957,
    uiso = 0.0643
    )
,
  Atom N(
    coords = ( 0.02461, 0.30685, 0.21959 ),
    occ = 1.440,
    uiso = 0.0929
    )
,
  Atom N(
    coords = ( 0.12673, 0.54631, 0.61099 ),
    occ = 1.110,
    uiso = 0.0776
    )
,
  Atom N(
    coords = ( 0.00875, 0.57423, 0.62812 ),
    occ = 0.589,
    uiso = 0.0457
    )
,
  Atom N(
    coords = ( 0.26744, 0.67766, 0.31493 ),
    occ = 1.433,
    uiso = 0.1058
    )
,
  Atom N(
    coords = ( 0.28577, 0.62066, 0.45631 ),
    occ = 1.043,
    uiso = 0.0529
    )
,
  Atom N(
    coords = ( 0.19021, 0.72456, 0.96004 ),
    occ = 1.172,
    uiso = 0.0865
    )
,
  Atom N(
    coords = ( 0.02202, 0.57525, 0.16164 ),
    occ = 1.250,
    uiso = 0.1014
    )
,
  Atom N(
    coords = ( 0.05882, 0.57863, 0.20063 ),
    occ = 0.370,
    uiso = 0.0033
    )
,
  Atom N(
    coords = ( 0.18947, 0.61476, 0.41599 ),
    occ = 0.956,
    uiso = 0.0448
    )
,
  Atom N(
    coords = ( 0.23214, 0.47792, 0.61572 ),
    occ = 0.722,
    uiso = 0.0462
    )
,
  Atom N(
    coords = ( -0.00029, 0.40289, 0.20173 ),
    occ = 0.838,
    uiso = 0.0448
    )
,
  Atom N(
    coords = ( 0.22035, 0.76241, 0.99319 ),
    occ = 1.190,
    uiso = 0.0709
    )
,
  Atom N(
    coords = ( 0.13780, 0.43621, 0.69779 ),
    occ = 0.790,
    uiso = 0.0626
    )
,
  Atom N(
    coords = ( 0.08999, 0.62068, 0.42895 ),
    occ = 0.509,
    uiso = 0.0181
    )
,
  Atom N(
    coords = ( 0.18969, 0.63574, 0.51692 ),
    occ = 0.995,
    uiso = 0.0670
    )
,
  Atom N(
    coords = ( 0.09666, 0.35509, 0.43011 ),
    occ = 1.574,
    uiso = 0.0977
    )
,
  Atom N(
    coords = ( 0.15032, 0.54227, 0.39009 ),
    occ = 0.845,
    uiso = 0.0438
    )
,
  Atom N(
    coords = ( 0.21295, 0.60182, 0.74016 ),
    occ = 0.665,
    uiso = 0.0245
    )
,
  Atom N(
    coords = ( 0.31001, 0.65086, 0.41329 ),
    occ = 0.510,
    uiso = 0.0220
    )
,
  Atom N(
    coords = ( 0.06907, 0.59015, 0.66793 ),
    occ = 0.712,
    uiso = 0.0431
    )
,
  Atom N(
    coords = ( 0.14206, 0.78012, 0.97874 ),
    occ = 0.766,
    uiso = 0.0640
    )
,
  Atom N(
    coords = ( 0.20939, 0.58804, 0.69278 ),
    occ = 0.567,
    uiso = 0.0246
    )
,
  Atom N(
    coords = ( 0.01180, 0.34306, 0.49905 ),
    occ = 1.113,
    uiso = 0.0748
    )
,
  Atom N(
    coords = ( 0.15826, 0.40262, 0.67448 ),
    occ = 1.172,
    uiso = 0.0760
    )
,
  Atom N(
    coords = ( 0.21812, 0.74886, 0.96861 ),
    occ = 0.636,
    uiso = 0.0467
    )
,
  Atom N(
    coords = ( 0.21801, 0.64763, 0.78118 ),
    occ = 0.970,
    uiso = 0.0503
    )
,
  Atom N(
    coords = ( 0.18802, 0.74855, 0.90001 ),
    occ = 1.194,
    uiso = 0.0786
    )
,
  Atom N(
    coords = ( 0.20760, 0.52932, 0.50651 ),
    occ = 0.549,
    uiso = 0.0187
    )
,
  Atom N(
    coords = ( 0.17330, 0.65455, 0.93234 ),
    occ = 0.586,
    uiso = 0.0472
    )
,
  Atom N(
    coords = ( 0.26002, 0.72124, 0.93426 ),
    occ = 0.704,
    uiso = 0.0382
    )
,
  Atom N(
    coords = ( 0.18941, 0.40910, 0.61017 ),
    occ = 1.086,
    uiso = 0.0580
    )
,
  Atom N(
    coords = ( 0.02051, 0.33521, 0.39859 ),
    occ = 1.021,
    uiso = 0.0589
    )
,
  Atom N(
    coords = ( 0.13664, 0.62943, 0.45938 ),
    occ = 0.888,
    uiso = 0.0496
    )
,
  Atom N(
    coords = ( 0.28290, 0.65978, 0.36504 ),
    occ = 0.999,
    uiso = 0.0543
    )
,
  Atom N(
    coords = ( 0.24392, 0.51524, 0.61693 ),
    occ = 1.028,
    uiso = 0.0737
    )
,
  Atom N(
    coords = ( 0.14503, 0.69481, 0.89310 ),
    occ = 1.155,
    uiso = 0.0777
    )
,
  Atom N(
    coords = ( 0.20632, 0.64506, 0.46837 ),
    occ = 0.869,
    uiso = 0.0410
    )
,
  Atom N(
    coords = ( 0.07132, 0.41724, 0.43765 ),
    occ = 0.660,
    uiso = 0.0365
    )
,
  Atom N(
    coords = ( 0.00158, 0.58005, 0.39835 ),
    occ = 0.970,
    uiso = 0.0756
    )
,
  Atom N(
    coords = ( 0.28655, 0.61059, 0.48162 ),
    occ = 0.762,
    uiso = 0.0336
    )
,
  Atom N(
    coords = ( 0.04818, 0.36245, 0.46121 ),
    occ = 0.923,
    uiso = 0.0806
    )
,
  Atom N(
    coords = ( 0.16174, 0.53109, 0.95482 ),
    occ = 0.294,
    uiso = 0.0125
    )
,
  Atom N(
    coords = ( 0.17704, 0.49394, 0.68343 ),
    occ = 0.436,
    uiso = 0.0282
    )
,
  Atom N(
    coords = ( 0.18494, 0.52755, 0.67582 ),
    occ = 0.906,
    uiso = 0.0631
    )
,
  Atom N(
    coords = ( 0.06294, 0.53035, 0.07207 ),
    occ = 0.795,
    uiso = 0.0481
    )
,
  Atom N(
    coords = ( 0.11197, 0.54018, 0.16497 ),
    occ = 0.791,
    uiso = 0.0523
    )
,
  Atom N(
    coords = ( 0.01163, 0.57898, 0.93927 ),
    occ = 0.469,
    uiso = 0.0112
    )
,
  Atom N(
    coords = ( 0.23021, 0.65795, 0.44641 ),
    occ = 0.455,
    uiso = 0.0094
    )
,
  Atom N(
    coords = ( 0.25430, 0.71992, 0.90666 ),
    occ = 0.551,
    uiso = 0.0337
    )
,
  Atom N(
    coords = ( 0.06889, 0.56080, 0.20269 ),
    occ = 1.063,
    uiso = 0.0639
    )
,
  Atom N(
    coords = ( 0.16267, 0.43170, 0.38978 ),
    occ = 0.874,
    uiso = 0.0814
    )
,
  Atom N(
    coords = ( 0.11738, 0.51152, 0.62193 ),
    occ = 0.373,
    uiso = 0.0013
    )
,
  Atom N(
    coords = ( 0.14380, 0.75609, 0.93691 ),
    occ = 1.038,
    uiso = 0.0772
    )
,
  Atom N(
    coords = ( 0.16187, 0.55185, 0.06649 ),
    occ = 0.859,
    uiso = 0.0606
    )
,
  Atom N(
    coords = ( 0.21804, 0.65211, 0.49516 ),
    occ = 0.668,
    uiso = 0.0396
    )
,
  Atom N(
    coords = ( 0.03492, 0.51860, 0.23905 ),
    occ = 0.126,
    uiso = 0.0369
    )
,
  Atom N(
    coords = ( 0.03836, 0.56655, 0.24968 ),
    occ = 0.552,
    uiso = 0.0398
    )
,
  Atom N(
    coords = ( 0.19306, 0.55023, 0.70162 ),
    occ = 0.710,
    uiso = 0.0539
    )
,
  Atom N(
    coords = ( 0.31193, 0.64955, 0.19058 ),
    occ = 0.776,
    uiso = 0.0387
    )
,
  Atom N(
    coords = ( 0.14414, 0.41948, 0.67309 ),
    occ = 0.370,
    uiso = 0.0091
    )
,
  Atom N(
    coords = ( 0.17183, 0.77721, 0.98932 ),
    occ = 0.500,
    uiso = 0.0366
    )
,
  Atom N(
    coords = ( 0.04638, 0.46042, 0.67123 ),
    occ = 0.710,
    uiso = 0.0464
    )
,
  Atom N(
    coords = ( 0.24835, 0.57685, 0.10504 ),
    occ = 1.058,
    uiso = 0.0731
    )

)
    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 4, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 82: tst_mr_atom_fullsearch_pdb - script
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

ep_dataset_statistics
ep_phasing_statistics

ep_dataset_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
MILLER_SIZE
    
Integer(value = 32226)
    
Integer(value = 32226)
    
OK
  

Back to comparisons
ep_phasing_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
LLG
    
SAD_LLG(value = -4780.8)
    
SAD_LLG(value = -4780.8)
    
OK
  
  

    
ATOMS_COUNT
    
Integer(value = 111)
    
Integer(value = 111)
    
OK
  
  

    
ATOMS
    
AtomSet(
  Atom S(
    coords = ( 0.90752, 0.39986, 0.35131 ),
    occ = 3.721,
    uiso = 0.0680
    )
,
  Atom S(
    coords = ( 0.57178, 0.52135, 0.48642 ),
    occ = 0.928,
    uiso = 0.0822
    )
,
  Atom N(
    coords = ( 0.08916, 0.53630, 0.28845 ),
    occ = 2.448,
    uiso = 0.0553
    )
,
  Atom N(
    coords = ( 0.04377, 0.53589, 0.37822 ),
    occ = 0.811,
    uiso = 0.0280
    )
,
  Atom N(
    coords = ( 0.04127, 0.39439, 0.23907 ),
    occ = 0.576,
    uiso = 0.0365
    )
,
  Atom N(
    coords = ( 0.24889, 0.52680, 0.36759 ),
    occ = 1.706,
    uiso = 0.0700
    )
,
  Atom N(
    coords = ( 0.26889, 0.65347, 0.51444 ),
    occ = 1.140,
    uiso = 0.0456
    )
,
  Atom N(
    coords = ( 0.20158, 0.48685, 0.68306 ),
    occ = 1.409,
    uiso = 0.0664
    )
,
  Atom N(
    coords = ( 0.22032, 0.59099, 0.42787 ),
    occ = 1.239,
    uiso = 0.0520
    )
,
  Atom N(
    coords = ( 0.11370, 0.53078, 0.09292 ),
    occ = 0.994,
    uiso = 0.0567
    )
,
  Atom N(
    coords = ( 0.26019, 0.64765, 0.18333 ),
    occ = 0.726,
    uiso = 0.0195
    )
,
  Atom N(
    coords = ( 0.26095, 0.67466, 0.45192 ),
    occ = 1.399,
    uiso = 0.0658
    )
,
  Atom N(
    coords = ( 0.12840, 0.56525, 0.68379 ),
    occ = 1.582,
    uiso = 0.0874
    )
,
  Atom N(
    coords = ( 0.16007, 0.56795, 0.47498 ),
    occ = 0.828,
    uiso = 0.0221
    )
,
  Atom N(
    coords = ( 0.07406, 0.51923, 0.40419 ),
    occ = 1.397,
    uiso = 0.0624
    )
,
  Atom N(
    coords = ( 0.23027, 0.60389, 0.49204 ),
    occ = 1.038,
    uiso = 0.0478
    )
,
  Atom N(
    coords = ( 0.15648, 0.52797, 0.66206 ),
    occ = 1.048,
    uiso = 0.0538
    )
,
  Atom N(
    coords = ( 0.08174, 0.46029, 0.36101 ),
    occ = 1.287,
    uiso = 0.0659
    )
,
  Atom N(
    coords = ( 0.01408, 0.50596, 0.26066 ),
    occ = 1.585,
    uiso = 0.0881
    )
,
  Atom N(
    coords = ( 0.04925, 0.47940, 0.34265 ),
    occ = 1.719,
    uiso = 0.0947
    )
,
  Atom N(
    coords = ( -0.00421, 0.44806, 0.28093 ),
    occ = 0.469,
    uiso = 0.0303
    )
,
  Atom N(
    coords = ( 0.16042, 0.55189, 0.41921 ),
    occ = 0.934,
    uiso = 0.0564
    )
,
  Atom N(
    coords = ( 0.01529, 0.53449, 0.43745 ),
    occ = 1.417,
    uiso = 0.0710
    )
,
  Atom N(
    coords = ( 0.09819, 0.48826, 0.70892 ),
    occ = 1.791,
    uiso = 0.1077
    )
,
  Atom N(
    coords = ( 0.16414, 0.50156, 0.62371 ),
    occ = 1.511,
    uiso = 0.0699
    )
,
  Atom N(
    coords = ( 0.17896, 0.54264, 0.37271 ),
    occ = 0.904,
    uiso = 0.0586
    )
,
  Atom N(
    coords = ( 0.01117, 0.52859, 0.24439 ),
    occ = 0.453,
    uiso = 0.0090
    )
,
  Atom N(
    coords = ( 0.31771, 0.64238, 0.44115 ),
    occ = 0.629,
    uiso = 0.0236
    )
,
  Atom N(
    coords = ( 0.04658, 0.39260, 0.45915 ),
    occ = 0.716,
    uiso = 0.0420
    )
,
  Atom N(
    coords = ( 0.13206, 0.55285, 0.43336 ),
    occ = 1.081,
    uiso = 0.0514
    )
,
  Atom N(
    coords = ( 0.02888, 0.44289, 0.38288 ),
    occ = 1.744,
    uiso = 0.1082
    )
,
  Atom N(
    coords = ( 0.22602, 0.53614, 0.85035 ),
    occ = 0.846,
    uiso = 0.0396
    )
,
  Atom N(
    coords = ( 0.08860, 0.43639, 0.28726 ),
    occ = 0.356,
    uiso = 0.0013
    )
,
  Atom N(
    coords = ( 0.31078, 0.62754, 0.79441 ),
    occ = 1.068,
    uiso = 0.0464
    )
,
  Atom N(
    coords = ( 0.00909, 0.36876, 0.23139 ),
    occ = 0.638,
    uiso = 0.0364
    )
,
  Atom N(
    coords = ( 0.27968, 0.62389, 0.85483 ),
    occ = 0.888,
    uiso = 0.0395
    )
,
  Atom N(
    coords = ( 0.08287, 0.44822, 0.64465 ),
    occ = 1.489,
    uiso = 0.0812
    )
,
  Atom N(
    coords = ( 0.00397, 0.55701, 0.99254 ),
    occ = 0.798,
    uiso = 0.0421
    )
,
  Atom N(
    coords = ( 0.12487, 0.60580, 0.39054 ),
    occ = 1.465,
    uiso = 0.0793
    )
,
  Atom N(
    coords = ( 0.06049, 0.44012, 0.29183 ),
    occ = 0.859,
    uiso = 0.0509
    )
,
  Atom N(
    coords = ( 0.01305, 0.48490, 0.40451 ),
    occ = 0.715,
    uiso = 0.0441
    )
,
  Atom N(
    coords = ( 0.06162, 0.37502, 0.19762 ),
    occ = 0.851,
    uiso = 0.0570
    )
,
  Atom N(
    coords = ( 0.03530, 0.63188, -0.00197 ),
    occ = 1.267,
    uiso = 0.0928
    )
,
  Atom N(
    coords = ( 0.09028, 0.50105, 0.64109 ),
    occ = 1.019,
    uiso = 0.0735
    )
,
  Atom N(
    coords = ( 0.27558, 0.56759, 0.82746 ),
    occ = 0.729,
    uiso = 0.0308
    )
,
  Atom N(
    coords = ( 0.06551, 0.47595, 0.12560 ),
    occ = 1.230,
    uiso = 0.0780
    )
,
  Atom N(
    coords = ( 0.30359, 0.68827, 0.82630 ),
    occ = 1.810,
    uiso = 0.0770
    )
,
  Atom N(
    coords = ( 0.14532, 0.47138, 0.69357 ),
    occ = 0.957,
    uiso = 0.0643
    )
,
  Atom N(
    coords = ( 0.02461, 0.30685, 0.21959 ),
    occ = 1.440,
    uiso = 0.0929
    )
,
  Atom N(
    coords = ( 0.12673, 0.54631, 0.61099 ),
    occ = 1.110,
    uiso = 0.0776
    )
,
  Atom N(
    coords = ( 0.00875, 0.57423, 0.62812 ),
    occ = 0.589,
    uiso = 0.0457
    )
,
  Atom N(
    coords = ( 0.26744, 0.67766, 0.31493 ),
    occ = 1.433,
    uiso = 0.1058
    )
,
  Atom N(
    coords = ( 0.28577, 0.62066, 0.45631 ),
    occ = 1.043,
    uiso = 0.0529
    )
,
  Atom N(
    coords = ( 0.19021, 0.72456, 0.96004 ),
    occ = 1.172,
    uiso = 0.0865
    )
,
  Atom N(
    coords = ( 0.02202, 0.57525, 0.16164 ),
    occ = 1.250,
    uiso = 0.1014
    )
,
  Atom N(
    coords = ( 0.05882, 0.57863, 0.20063 ),
    occ = 0.370,
    uiso = 0.0033
    )
,
  Atom N(
    coords = ( 0.18947, 0.61476, 0.41599 ),
    occ = 0.956,
    uiso = 0.0448
    )
,
  Atom N(
    coords = ( 0.23214, 0.47792, 0.61572 ),
    occ = 0.722,
    uiso = 0.0462
    )
,
  Atom N(
    coords = ( -0.00029, 0.40289, 0.20173 ),
    occ = 0.838,
    uiso = 0.0448
    )
,
  Atom N(
    coords = ( 0.22035, 0.76241, 0.99319 ),
    occ = 1.190,
    uiso = 0.0709
    )
,
  Atom N(
    coords = ( 0.13780, 0.43621, 0.69779 ),
    occ = 0.790,
    uiso = 0.0626
    )
,
  Atom N(
    coords = ( 0.08999, 0.62068, 0.42895 ),
    occ = 0.509,
    uiso = 0.0181
    )
,
  Atom N(
    coords = ( 0.18969, 0.63574, 0.51692 ),
    occ = 0.995,
    uiso = 0.0670
    )
,
  Atom N(
    coords = ( 0.09666, 0.35509, 0.43011 ),
    occ = 1.574,
    uiso = 0.0977
    )
,
  Atom N(
    coords = ( 0.15032, 0.54227, 0.39009 ),
    occ = 0.845,
    uiso = 0.0438
    )
,
  Atom N(
    coords = ( 0.21295, 0.60182, 0.74016 ),
    occ = 0.665,
    uiso = 0.0245
    )
,
  Atom N(
    coords = ( 0.31001, 0.65086, 0.41329 ),
    occ = 0.510,
    uiso = 0.0220
    )
,
  Atom N(
    coords = ( 0.06907, 0.59015, 0.66793 ),
    occ = 0.712,
    uiso = 0.0431
    )
,
  Atom N(
    coords = ( 0.14206, 0.78012, 0.97874 ),
    occ = 0.766,
    uiso = 0.0640
    )
,
  Atom N(
    coords = ( 0.20939, 0.58804, 0.69278 ),
    occ = 0.567,
    uiso = 0.0246
    )
,
  Atom N(
    coords = ( 0.01180, 0.34306, 0.49905 ),
    occ = 1.113,
    uiso = 0.0748
    )
,
  Atom N(
    coords = ( 0.15826, 0.40262, 0.67448 ),
    occ = 1.172,
    uiso = 0.0760
    )
,
  Atom N(
    coords = ( 0.21812, 0.74886, 0.96861 ),
    occ = 0.636,
    uiso = 0.0467
    )
,
  Atom N(
    coords = ( 0.21801, 0.64763, 0.78118 ),
    occ = 0.970,
    uiso = 0.0503
    )
,
  Atom N(
    coords = ( 0.18802, 0.74855, 0.90001 ),
    occ = 1.194,
    uiso = 0.0786
    )
,
  Atom N(
    coords = ( 0.20760, 0.52932, 0.50651 ),
    occ = 0.549,
    uiso = 0.0187
    )
,
  Atom N(
    coords = ( 0.17330, 0.65455, 0.93234 ),
    occ = 0.586,
    uiso = 0.0472
    )
,
  Atom N(
    coords = ( 0.26002, 0.72124, 0.93426 ),
    occ = 0.704,
    uiso = 0.0382
    )
,
  Atom N(
    coords = ( 0.18941, 0.40910, 0.61017 ),
    occ = 1.086,
    uiso = 0.0580
    )
,
  Atom N(
    coords = ( 0.02051, 0.33521, 0.39859 ),
    occ = 1.021,
    uiso = 0.0589
    )
,
  Atom N(
    coords = ( 0.13664, 0.62943, 0.45938 ),
    occ = 0.888,
    uiso = 0.0496
    )
,
  Atom N(
    coords = ( 0.28290, 0.65978, 0.36504 ),
    occ = 0.999,
    uiso = 0.0543
    )
,
  Atom N(
    coords = ( 0.24392, 0.51524, 0.61693 ),
    occ = 1.028,
    uiso = 0.0737
    )
,
  Atom N(
    coords = ( 0.14503, 0.69481, 0.89310 ),
    occ = 1.155,
    uiso = 0.0777
    )
,
  Atom N(
    coords = ( 0.20632, 0.64506, 0.46837 ),
    occ = 0.869,
    uiso = 0.0410
    )
,
  Atom N(
    coords = ( 0.07132, 0.41724, 0.43765 ),
    occ = 0.660,
    uiso = 0.0365
    )
,
  Atom N(
    coords = ( 0.00158, 0.58005, 0.39835 ),
    occ = 0.970,
    uiso = 0.0756
    )
,
  Atom N(
    coords = ( 0.28655, 0.61059, 0.48162 ),
    occ = 0.762,
    uiso = 0.0336
    )
,
  Atom N(
    coords = ( 0.04818, 0.36245, 0.46121 ),
    occ = 0.923,
    uiso = 0.0806
    )
,
  Atom N(
    coords = ( 0.16174, 0.53109, 0.95482 ),
    occ = 0.294,
    uiso = 0.0125
    )
,
  Atom N(
    coords = ( 0.17704, 0.49394, 0.68343 ),
    occ = 0.436,
    uiso = 0.0282
    )
,
  Atom N(
    coords = ( 0.18494, 0.52755, 0.67582 ),
    occ = 0.906,
    uiso = 0.0631
    )
,
  Atom N(
    coords = ( 0.06294, 0.53035, 0.07207 ),
    occ = 0.795,
    uiso = 0.0481
    )
,
  Atom N(
    coords = ( 0.11197, 0.54018, 0.16497 ),
    occ = 0.791,
    uiso = 0.0523
    )
,
  Atom N(
    coords = ( 0.01163, 0.57898, 0.93927 ),
    occ = 0.469,
    uiso = 0.0112
    )
,
  Atom N(
    coords = ( 0.23021, 0.65795, 0.44641 ),
    occ = 0.455,
    uiso = 0.0094
    )
,
  Atom N(
    coords = ( 0.25430, 0.71992, 0.90666 ),
    occ = 0.551,
    uiso = 0.0337
    )
,
  Atom N(
    coords = ( 0.06889, 0.56080, 0.20269 ),
    occ = 1.063,
    uiso = 0.0639
    )
,
  Atom N(
    coords = ( 0.16267, 0.43170, 0.38978 ),
    occ = 0.874,
    uiso = 0.0814
    )
,
  Atom N(
    coords = ( 0.11738, 0.51152, 0.62193 ),
    occ = 0.373,
    uiso = 0.0013
    )
,
  Atom N(
    coords = ( 0.14380, 0.75609, 0.93691 ),
    occ = 1.038,
    uiso = 0.0772
    )
,
  Atom N(
    coords = ( 0.16187, 0.55185, 0.06649 ),
    occ = 0.859,
    uiso = 0.0606
    )
,
  Atom N(
    coords = ( 0.21804, 0.65211, 0.49516 ),
    occ = 0.668,
    uiso = 0.0396
    )
,
  Atom N(
    coords = ( 0.03492, 0.51860, 0.23905 ),
    occ = 0.126,
    uiso = 0.0369
    )
,
  Atom N(
    coords = ( 0.03836, 0.56655, 0.24968 ),
    occ = 0.552,
    uiso = 0.0398
    )
,
  Atom N(
    coords = ( 0.19306, 0.55023, 0.70162 ),
    occ = 0.710,
    uiso = 0.0539
    )
,
  Atom N(
    coords = ( 0.31193, 0.64955, 0.19058 ),
    occ = 0.776,
    uiso = 0.0387
    )
,
  Atom N(
    coords = ( 0.14414, 0.41948, 0.67309 ),
    occ = 0.370,
    uiso = 0.0091
    )
,
  Atom N(
    coords = ( 0.17183, 0.77721, 0.98932 ),
    occ = 0.500,
    uiso = 0.0366
    )
,
  Atom N(
    coords = ( 0.04638, 0.46042, 0.67123 ),
    occ = 0.710,
    uiso = 0.0464
    )
,
  Atom N(
    coords = ( 0.24835, 0.57685, 0.10504 ),
    occ = 1.058,
    uiso = 0.0731
    )

)
    
AtomSet(
  Atom S(
    coords = ( 0.90750, 0.39990, 0.35130 ),
    occ = 3.720,
    uiso = 0.0680
    )
,
  Atom S(
    coords = ( 0.57180, 0.52130, 0.48640 ),
    occ = 0.930,
    uiso = 0.0822
    )
,
  Atom N(
    coords = ( 0.08920, 0.53630, 0.28850 ),
    occ = 2.450,
    uiso = 0.0553
    )
,
  Atom N(
    coords = ( 0.04380, 0.53590, 0.37820 ),
    occ = 0.810,
    uiso = 0.0280
    )
,
  Atom N(
    coords = ( 0.04130, 0.39440, 0.23910 ),
    occ = 0.580,
    uiso = 0.0365
    )
,
  Atom N(
    coords = ( 0.24890, 0.52680, 0.36760 ),
    occ = 1.710,
    uiso = 0.0700
    )
,
  Atom N(
    coords = ( 0.26890, 0.65350, 0.51440 ),
    occ = 1.140,
    uiso = 0.0456
    )
,
  Atom N(
    coords = ( 0.20160, 0.48690, 0.68310 ),
    occ = 1.410,
    uiso = 0.0664
    )
,
  Atom N(
    coords = ( 0.22030, 0.59100, 0.42790 ),
    occ = 1.240,
    uiso = 0.0521
    )
,
  Atom N(
    coords = ( 0.11370, 0.53080, 0.09290 ),
    occ = 0.990,
    uiso = 0.0567
    )
,
  Atom N(
    coords = ( 0.26020, 0.64770, 0.18330 ),
    occ = 0.730,
    uiso = 0.0195
    )
,
  Atom N(
    coords = ( 0.26100, 0.67470, 0.45190 ),
    occ = 1.400,
    uiso = 0.0659
    )
,
  Atom N(
    coords = ( 0.12840, 0.56520, 0.68380 ),
    occ = 1.580,
    uiso = 0.0874
    )
,
  Atom N(
    coords = ( 0.16010, 0.56790, 0.47500 ),
    occ = 0.830,
    uiso = 0.0222
    )
,
  Atom N(
    coords = ( 0.07410, 0.51920, 0.40420 ),
    occ = 1.400,
    uiso = 0.0623
    )
,
  Atom N(
    coords = ( 0.23030, 0.60390, 0.49200 ),
    occ = 1.040,
    uiso = 0.0479
    )
,
  Atom N(
    coords = ( 0.15650, 0.52800, 0.66210 ),
    occ = 1.050,
    uiso = 0.0538
    )
,
  Atom N(
    coords = ( 0.08170, 0.46030, 0.36100 ),
    occ = 1.290,
    uiso = 0.0660
    )
,
  Atom N(
    coords = ( 0.01410, 0.50600, 0.26070 ),
    occ = 1.580,
    uiso = 0.0880
    )
,
  Atom N(
    coords = ( 0.04930, 0.47940, 0.34270 ),
    occ = 1.720,
    uiso = 0.0946
    )
,
  Atom N(
    coords = ( -0.00420, 0.44810, 0.28090 ),
    occ = 0.470,
    uiso = 0.0304
    )
,
  Atom N(
    coords = ( 0.16040, 0.55190, 0.41920 ),
    occ = 0.930,
    uiso = 0.0564
    )
,
  Atom N(
    coords = ( 0.01530, 0.53450, 0.43750 ),
    occ = 1.420,
    uiso = 0.0711
    )
,
  Atom N(
    coords = ( 0.09820, 0.48830, 0.70890 ),
    occ = 1.790,
    uiso = 0.1077
    )
,
  Atom N(
    coords = ( 0.16410, 0.50160, 0.62370 ),
    occ = 1.510,
    uiso = 0.0699
    )
,
  Atom N(
    coords = ( 0.17900, 0.54260, 0.37270 ),
    occ = 0.900,
    uiso = 0.0586
    )
,
  Atom N(
    coords = ( 0.01120, 0.52860, 0.24440 ),
    occ = 0.450,
    uiso = 0.0090
    )
,
  Atom N(
    coords = ( 0.31770, 0.64240, 0.44110 ),
    occ = 0.630,
    uiso = 0.0237
    )
,
  Atom N(
    coords = ( 0.04660, 0.39260, 0.45910 ),
    occ = 0.720,
    uiso = 0.0420
    )
,
  Atom N(
    coords = ( 0.13210, 0.55280, 0.43340 ),
    occ = 1.080,
    uiso = 0.0514
    )
,
  Atom N(
    coords = ( 0.02890, 0.44290, 0.38290 ),
    occ = 1.740,
    uiso = 0.1082
    )
,
  Atom N(
    coords = ( 0.22600, 0.53610, 0.85040 ),
    occ = 0.850,
    uiso = 0.0396
    )
,
  Atom N(
    coords = ( 0.08860, 0.43640, 0.28730 ),
    occ = 0.360,
    uiso = 0.0013
    )
,
  Atom N(
    coords = ( 0.31080, 0.62750, 0.79440 ),
    occ = 1.070,
    uiso = 0.0464
    )
,
  Atom N(
    coords = ( 0.00910, 0.36880, 0.23140 ),
    occ = 0.640,
    uiso = 0.0363
    )
,
  Atom N(
    coords = ( 0.27970, 0.62390, 0.85480 ),
    occ = 0.890,
    uiso = 0.0395
    )
,
  Atom N(
    coords = ( 0.08290, 0.44820, 0.64460 ),
    occ = 1.490,
    uiso = 0.0812
    )
,
  Atom N(
    coords = ( 0.00400, 0.55700, 0.99250 ),
    occ = 0.800,
    uiso = 0.0422
    )
,
  Atom N(
    coords = ( 0.12490, 0.60580, 0.39050 ),
    occ = 1.470,
    uiso = 0.0793
    )
,
  Atom N(
    coords = ( 0.06050, 0.44010, 0.29180 ),
    occ = 0.860,
    uiso = 0.0509
    )
,
  Atom N(
    coords = ( 0.01310, 0.48490, 0.40450 ),
    occ = 0.710,
    uiso = 0.0441
    )
,
  Atom N(
    coords = ( 0.06160, 0.37500, 0.19760 ),
    occ = 0.850,
    uiso = 0.0570
    )
,
  Atom N(
    coords = ( 0.03530, 0.63190, -0.00200 ),
    occ = 1.270,
    uiso = 0.0928
    )
,
  Atom N(
    coords = ( 0.09030, 0.50110, 0.64110 ),
    occ = 1.020,
    uiso = 0.0736
    )
,
  Atom N(
    coords = ( 0.27560, 0.56760, 0.82750 ),
    occ = 0.730,
    uiso = 0.0308
    )
,
  Atom N(
    coords = ( 0.06550, 0.47590, 0.12560 ),
    occ = 1.230,
    uiso = 0.0780
    )
,
  Atom N(
    coords = ( 0.30360, 0.68830, 0.82630 ),
    occ = 1.810,
    uiso = 0.0770
    )
,
  Atom N(
    coords = ( 0.14530, 0.47140, 0.69360 ),
    occ = 0.960,
    uiso = 0.0643
    )
,
  Atom N(
    coords = ( 0.02460, 0.30680, 0.21960 ),
    occ = 1.440,
    uiso = 0.0930
    )
,
  Atom N(
    coords = ( 0.12670, 0.54630, 0.61100 ),
    occ = 1.110,
    uiso = 0.0776
    )
,
  Atom N(
    coords = ( 0.00870, 0.57420, 0.62810 ),
    occ = 0.590,
    uiso = 0.0457
    )
,
  Atom N(
    coords = ( 0.26740, 0.67770, 0.31490 ),
    occ = 1.430,
    uiso = 0.1059
    )
,
  Atom N(
    coords = ( 0.28580, 0.62070, 0.45630 ),
    occ = 1.040,
    uiso = 0.0529
    )
,
  Atom N(
    coords = ( 0.19020, 0.72460, 0.96000 ),
    occ = 1.170,
    uiso = 0.0865
    )
,
  Atom N(
    coords = ( 0.02200, 0.57520, 0.16160 ),
    occ = 1.250,
    uiso = 0.1014
    )
,
  Atom N(
    coords = ( 0.05880, 0.57860, 0.20060 ),
    occ = 0.370,
    uiso = 0.0033
    )
,
  Atom N(
    coords = ( 0.18950, 0.61480, 0.41600 ),
    occ = 0.960,
    uiso = 0.0448
    )
,
  Atom N(
    coords = ( 0.23210, 0.47790, 0.61570 ),
    occ = 0.720,
    uiso = 0.0462
    )
,
  Atom N(
    coords = ( -0.00030, 0.40290, 0.20170 ),
    occ = 0.840,
    uiso = 0.0448
    )
,
  Atom N(
    coords = ( 0.22040, 0.76240, 0.99320 ),
    occ = 1.190,
    uiso = 0.0709
    )
,
  Atom N(
    coords = ( 0.13780, 0.43620, 0.69780 ),
    occ = 0.790,
    uiso = 0.0626
    )
,
  Atom N(
    coords = ( 0.09000, 0.62070, 0.42890 ),
    occ = 0.510,
    uiso = 0.0181
    )
,
  Atom N(
    coords = ( 0.18970, 0.63570, 0.51690 ),
    occ = 0.990,
    uiso = 0.0670
    )
,
  Atom N(
    coords = ( 0.09670, 0.35510, 0.43010 ),
    occ = 1.570,
    uiso = 0.0978
    )
,
  Atom N(
    coords = ( 0.15030, 0.54230, 0.39010 ),
    occ = 0.850,
    uiso = 0.0438
    )
,
  Atom N(
    coords = ( 0.21300, 0.60180, 0.74020 ),
    occ = 0.670,
    uiso = 0.0244
    )
,
  Atom N(
    coords = ( 0.31000, 0.65090, 0.41330 ),
    occ = 0.510,
    uiso = 0.0220
    )
,
  Atom N(
    coords = ( 0.06910, 0.59020, 0.66790 ),
    occ = 0.710,
    uiso = 0.0431
    )
,
  Atom N(
    coords = ( 0.14210, 0.78010, 0.97870 ),
    occ = 0.770,
    uiso = 0.0640
    )
,
  Atom N(
    coords = ( 0.20940, 0.58800, 0.69280 ),
    occ = 0.570,
    uiso = 0.0246
    )
,
  Atom N(
    coords = ( 0.01180, 0.34310, 0.49910 ),
    occ = 1.110,
    uiso = 0.0747
    )
,
  Atom N(
    coords = ( 0.15830, 0.40260, 0.67450 ),
    occ = 1.170,
    uiso = 0.0760
    )
,
  Atom N(
    coords = ( 0.21810, 0.74890, 0.96860 ),
    occ = 0.640,
    uiso = 0.0467
    )
,
  Atom N(
    coords = ( 0.21800, 0.64760, 0.78120 ),
    occ = 0.970,
    uiso = 0.0503
    )
,
  Atom N(
    coords = ( 0.18800, 0.74860, 0.90000 ),
    occ = 1.190,
    uiso = 0.0787
    )
,
  Atom N(
    coords = ( 0.20760, 0.52930, 0.50650 ),
    occ = 0.550,
    uiso = 0.0187
    )
,
  Atom N(
    coords = ( 0.17330, 0.65460, 0.93230 ),
    occ = 0.590,
    uiso = 0.0472
    )
,
  Atom N(
    coords = ( 0.26000, 0.72120, 0.93430 ),
    occ = 0.700,
    uiso = 0.0381
    )
,
  Atom N(
    coords = ( 0.18940, 0.40910, 0.61020 ),
    occ = 1.090,
    uiso = 0.0580
    )
,
  Atom N(
    coords = ( 0.02050, 0.33520, 0.39860 ),
    occ = 1.020,
    uiso = 0.0589
    )
,
  Atom N(
    coords = ( 0.13660, 0.62940, 0.45940 ),
    occ = 0.890,
    uiso = 0.0496
    )
,
  Atom N(
    coords = ( 0.28290, 0.65980, 0.36500 ),
    occ = 1.000,
    uiso = 0.0543
    )
,
  Atom N(
    coords = ( 0.24390, 0.51520, 0.61690 ),
    occ = 1.030,
    uiso = 0.0737
    )
,
  Atom N(
    coords = ( 0.14500, 0.69480, 0.89310 ),
    occ = 1.150,
    uiso = 0.0778
    )
,
  Atom N(
    coords = ( 0.20630, 0.64510, 0.46840 ),
    occ = 0.870,
    uiso = 0.0409
    )
,
  Atom N(
    coords = ( 0.07130, 0.41720, 0.43760 ),
    occ = 0.660,
    uiso = 0.0365
    )
,
  Atom N(
    coords = ( 0.00160, 0.58010, 0.39830 ),
    occ = 0.970,
    uiso = 0.0756
    )
,
  Atom N(
    coords = ( 0.28660, 0.61060, 0.48160 ),
    occ = 0.760,
    uiso = 0.0336
    )
,
  Atom N(
    coords = ( 0.04820, 0.36250, 0.46120 ),
    occ = 0.920,
    uiso = 0.0807
    )
,
  Atom N(
    coords = ( 0.16170, 0.53110, 0.95480 ),
    occ = 0.290,
    uiso = 0.0125
    )
,
  Atom N(
    coords = ( 0.17700, 0.49390, 0.68340 ),
    occ = 0.440,
    uiso = 0.0282
    )
,
  Atom N(
    coords = ( 0.18490, 0.52750, 0.67580 ),
    occ = 0.910,
    uiso = 0.0632
    )
,
  Atom N(
    coords = ( 0.06290, 0.53030, 0.07210 ),
    occ = 0.800,
    uiso = 0.0481
    )
,
  Atom N(
    coords = ( 0.11200, 0.54020, 0.16500 ),
    occ = 0.790,
    uiso = 0.0523
    )
,
  Atom N(
    coords = ( 0.01160, 0.57900, 0.93930 ),
    occ = 0.470,
    uiso = 0.0111
    )
,
  Atom N(
    coords = ( 0.23020, 0.65790, 0.44640 ),
    occ = 0.450,
    uiso = 0.0094
    )
,
  Atom N(
    coords = ( 0.25430, 0.71990, 0.90670 ),
    occ = 0.550,
    uiso = 0.0337
    )
,
  Atom N(
    coords = ( 0.06890, 0.56080, 0.20270 ),
    occ = 1.060,
    uiso = 0.0638
    )
,
  Atom N(
    coords = ( 0.16270, 0.43170, 0.38980 ),
    occ = 0.870,
    uiso = 0.0814
    )
,
  Atom N(
    coords = ( 0.11740, 0.51150, 0.62190 ),
    occ = 0.370,
    uiso = 0.0013
    )
,
  Atom N(
    coords = ( 0.14380, 0.75610, 0.93690 ),
    occ = 1.040,
    uiso = 0.0773
    )
,
  Atom N(
    coords = ( 0.16190, 0.55190, 0.06650 ),
    occ = 0.860,
    uiso = 0.0605
    )
,
  Atom N(
    coords = ( 0.21800, 0.65210, 0.49520 ),
    occ = 0.670,
    uiso = 0.0395
    )
,
  Atom N(
    coords = ( 0.03490, 0.51860, 0.23910 ),
    occ = 0.130,
    uiso = 0.0369
    )
,
  Atom N(
    coords = ( 0.03840, 0.56660, 0.24970 ),
    occ = 0.550,
    uiso = 0.0398
    )
,
  Atom N(
    coords = ( 0.19310, 0.55020, 0.70160 ),
    occ = 0.710,
    uiso = 0.0540
    )
,
  Atom N(
    coords = ( 0.31190, 0.64960, 0.19060 ),
    occ = 0.780,
    uiso = 0.0386
    )
,
  Atom N(
    coords = ( 0.14410, 0.41950, 0.67310 ),
    occ = 0.370,
    uiso = 0.0091
    )
,
  Atom N(
    coords = ( 0.17180, 0.77720, 0.98930 ),
    occ = 0.500,
    uiso = 0.0366
    )
,
  Atom N(
    coords = ( 0.04640, 0.46040, 0.67120 ),
    occ = 0.710,
    uiso = 0.0464
    )
,
  Atom N(
    coords = ( 0.24830, 0.57680, 0.10500 ),
    occ = 1.060,
    uiso = 0.0731
    )

)
    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 4, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 83: tstl_fast_beta_blip - python
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

auto_pak_rnp_function
vrms_refinement
symmetry_information
solutions

auto_pak_rnp_function

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_SCORES
    

  
LLGScore(value = 1052.48)

    

  
LLGScore(value = 1053.05)

    
OK
  

Back to comparisons
vrms_refinement

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
VRMS_ENSEMBLE
    

  

  
Text(value = beta)
  
Text(value = blip)


    

  

  
Text(value = beta)
  
Text(value = blip)


    
OK
  
  

    
VRMS_RMS
    

  

  

  
VRMS(value = 0.687)

  

  
VRMS(value = 0.826)



    

  

  

  
VRMS(value = 0.701)

  

  
VRMS(value = 0.879)



    
element 0: element 1: element 0: 0.82627074684 outside tolerance (0.05) of 0.879291855983
  

Back to comparisons
symmetry_information

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
UNIT_CELL
    

  
CellAxis(value = 75.110)
  
CellAxis(value = 75.110)
  
CellAxis(value = 133.310)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 120.00)

    

  
CellAxis(value = 75.110)
  
CellAxis(value = 75.110)
  
CellAxis(value = 133.310)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 120.00)

    
OK
  

Back to comparisons
solutions

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_ANNOTATIONS
    

  
Text(value =  RFZ=5.8 TFZ=12.4 PAK=0 LLG=180 TFZ==15.3 RFZ=5.4 TFZ=22.5 PAK=0 LLG=833 TFZ==26.6 LLG=1052 TFZ==30.1 PAK=0 LLG=1052 TFZ==30.1)

    

  
Text(value =  RFZ=5.8 TFZ=12.4 PAK=0 LLG=180 TFZ==15.3 RFZ=5.4 TFZ=22.5 PAK=0 LLG=833 TFZ==26.6 LLG=1053 TFZ==30.1 PAK=0 LLG=1053 TFZ==30.2)

    
element 0: 
 RFZ=5.8 TFZ=12.4 PAK=0 LLG=180 TFZ==15.3 RFZ=5.4 TFZ=22.5 PAK=0 LLG=833 TFZ==26.6 LLG=1052 TFZ==30.1 PAK=0 LLG=1052 TFZ==30.1
different from
 RFZ=5.8 TFZ=12.4 PAK=0 LLG=180 TFZ==15.3 RFZ=5.4 TFZ=22.5 PAK=0 LLG=833 TFZ==26.6 LLG=1053 TFZ==30.1 PAK=0 LLG=1053 TFZ==30.2
  
  

    
SOLUTION_COUNT
    
Integer(value = 1)
    
Integer(value = 1)
    
OK
  
  

    
BFACTOR
    

  

  
Bfactor(value = 5.014)
  
Bfactor(value = 10.121)


    

  

  
Bfactor(value = 4.764)
  
Bfactor(value = 7.293)


    
OK
  
  

    
SOLUTIONS
    

  
Solution(
  Molecule(
    ensemble = beta,
    rotation = ( 200.78, 41.31, 183.92 ),
    translation = ( -0.49580, -0.15811, -0.28094 )
    )
,
  Molecule(
    ensemble = blip,
    rotation = ( 43.91, 81.03, 117.29 ),
    translation = ( -0.12382, 0.29339, -0.09236 )
    )

)

    

  
Solution(
  Molecule(
    ensemble = beta,
    rotation = ( 200.92, 41.27, 183.88 ),
    translation = ( -0.49562, -0.15804, -0.28096 )
    )
,
  Molecule(
    ensemble = blip,
    rotation = ( 43.82, 80.93, 117.27 ),
    translation = ( -0.12349, 0.29361, -0.09239 )
    )

)

    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 8, failures: 2, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
ERROR: incorrect results
Test 84: tstl_fast_beta_blip - script
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

auto_pak_rnp_function
symmetry_information
solutions
vrms_refinement

auto_pak_rnp_function

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_SCORES
    

  
LLGScore(value = 1052.48)

    

  
LLGScore(value = 1053.10)

    
OK
  

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symmetry_information

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
UNIT_CELL
    

  
CellAxis(value = 75.110)
  
CellAxis(value = 75.110)
  
CellAxis(value = 133.310)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 120.00)

    

  
CellAxis(value = 75.110)
  
CellAxis(value = 75.110)
  
CellAxis(value = 133.310)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 120.00)

    
OK
  

Back to comparisons
solutions

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_ANNOTATIONS
    

  
Text(value =  RFZ=5.8 TFZ=12.4 PAK=0 LLG=180 TFZ==15.3 RFZ=5.4 TFZ=22.5 PAK=0 LLG=833 TFZ==26.6 LLG=1052 TFZ==30.1 PAK=0 LLG=1052 TFZ==30.1)

    

  
Text(value =  RFZ=5.8 TFZ=12.4 PAK=0 LLG=180 TFZ==15.3 RFZ=5.4 TFZ=22.5 PAK=0 LLG=833 TFZ==26.6 LLG=1053 TFZ==30.1 PAK=0 LLG=1053 TFZ==30.2)

    
element 0: 
 RFZ=5.8 TFZ=12.4 PAK=0 LLG=180 TFZ==15.3 RFZ=5.4 TFZ=22.5 PAK=0 LLG=833 TFZ==26.6 LLG=1052 TFZ==30.1 PAK=0 LLG=1052 TFZ==30.1
different from
 RFZ=5.8 TFZ=12.4 PAK=0 LLG=180 TFZ==15.3 RFZ=5.4 TFZ=22.5 PAK=0 LLG=833 TFZ==26.6 LLG=1053 TFZ==30.1 PAK=0 LLG=1053 TFZ==30.2
  
  

    
SOLUTION_COUNT
    
Integer(value = 1)
    
Integer(value = 1)
    
OK
  
  

    
BFACTOR
    

  

  
Bfactor(value = 5.014)
  
Bfactor(value = 10.121)


    

  

  
Bfactor(value = 4.764)
  
Bfactor(value = 7.293)


    
OK
  
  

    
SOLUTIONS
    

  
Solution(
  Molecule(
    ensemble = beta,
    rotation = ( 200.78, 41.31, 183.92 ),
    translation = ( -0.49580, -0.15811, -0.28094 )
    )
,
  Molecule(
    ensemble = blip,
    rotation = ( 43.91, 81.03, 117.29 ),
    translation = ( -0.12382, 0.29339, -0.09236 )
    )

)

    

  
Solution(
  Molecule(
    ensemble = beta,
    rotation = ( 200.92, 41.27, 183.88 ),
    translation = ( -0.49562, -0.15804, -0.28096 )
    )
,
  Molecule(
    ensemble = blip,
    rotation = ( 43.82, 80.93, 117.27 ),
    translation = ( -0.12349, 0.29361, -0.09239 )
    )

)

    
OK
  

Back to comparisons
vrms_refinement

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
VRMS_RMS
    

  

  

  
VRMS(value = 0.687)

  

  
VRMS(value = 0.826)



    

  

  

  
VRMS(value = 0.700)

  

  
VRMS(value = 0.881)



    
element 0: element 1: element 0: 0.82627074684 outside tolerance (0.05) of 0.881078884096
  
  

    
VRMS_ENSEMBLE
    

  

  
Text(value = beta)
  
Text(value = blip)


    

  

  
Text(value = beta)
  
Text(value = blip)


    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 8, failures: 2, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
ERROR: incorrect results
Test 85: tstb_ep_p9 - python
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

sad_specific_statistics
ep_dataset_statistics
ep_phasing_statistics

sad_specific_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
F_PRIME
    

  
ScatteringFactor(value = -6.00)

    

  
ScatteringFactor(value = -6.00)

    
OK
  
  

    
F_ELEM
    

  
Text(value = SE)

    

  
Text(value = SE)

    
OK
  
  

    
F_DOUBLEPRIME
    

  
ScatteringFactor(value = 4.84)

    

  
ScatteringFactor(value = 4.84)

    
OK
  

Back to comparisons
ep_dataset_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
MILLER_SIZE
    
Integer(value = 4339)
    
Integer(value = 4339)
    
OK
  

Back to comparisons
ep_phasing_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
LLG
    
SAD_LLG(value = -1025.3)
    
SAD_LLG(value = -1025.3)
    
OK
  
  

    
ATOMS_COUNT
    
Integer(value = 4)
    
Integer(value = 4)
    
OK
  
  

    
ATOMS
    
AtomSet(
  Atom SE(
    coords = ( -0.61286, 0.32007, 0.98731 ),
    occ = 1.479,
    uiso = 0.2716
    )
,
  Atom SE(
    coords = ( -0.70664, -0.16452, 1.08018 ),
    occ = 1.320,
    uiso = 0.3208
    )
,
  Atom SE(
    coords = ( -0.26213, 0.18533, 1.01649 ),
    occ = 1.281,
    uiso = 0.2600
    )
,
  Atom SE(
    coords = ( -0.02820, -0.75729, -0.10011 ),
    occ = 0.234,
    uiso = 0.1875
    )

)
    
AtomSet(
  Atom SE(
    coords = ( -0.61286, 0.32007, 0.98731 ),
    occ = 1.479,
    uiso = 0.2716
    )
,
  Atom SE(
    coords = ( -0.70664, -0.16452, 1.08018 ),
    occ = 1.320,
    uiso = 0.3208
    )
,
  Atom SE(
    coords = ( -0.26213, 0.18533, 1.01649 ),
    occ = 1.281,
    uiso = 0.2600
    )
,
  Atom SE(
    coords = ( -0.02820, -0.75729, -0.10011 ),
    occ = 0.234,
    uiso = 0.1875
    )

)
    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 86: tstb_ep_p9 - script
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

sad_specific_statistics
ep_dataset_statistics
ep_phasing_statistics

sad_specific_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
F_PRIME
    

  
ScatteringFactor(value = -6.00)

    

  
ScatteringFactor(value = -6.00)

    
OK
  
  

    
F_ELEM
    

  
Text(value = SE)

    

  
Text(value = SE)

    
OK
  
  

    
F_DOUBLEPRIME
    

  
ScatteringFactor(value = 4.84)

    

  
ScatteringFactor(value = 4.84)

    
OK
  

Back to comparisons
ep_dataset_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
MILLER_SIZE
    
Integer(value = 4339)
    
Integer(value = 4339)
    
OK
  

Back to comparisons
ep_phasing_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
LLG
    
SAD_LLG(value = -1025.3)
    
SAD_LLG(value = -1025.2)
    
OK
  
  

    
ATOMS_COUNT
    
Integer(value = 4)
    
Integer(value = 4)
    
OK
  
  

    
ATOMS
    
AtomSet(
  Atom SE(
    coords = ( -0.61286, 0.32007, 0.98731 ),
    occ = 1.479,
    uiso = 0.2716
    )
,
  Atom SE(
    coords = ( -0.70664, -0.16452, 1.08018 ),
    occ = 1.320,
    uiso = 0.3208
    )
,
  Atom SE(
    coords = ( -0.26213, 0.18533, 1.01649 ),
    occ = 1.281,
    uiso = 0.2600
    )
,
  Atom SE(
    coords = ( -0.02820, -0.75729, -0.10011 ),
    occ = 0.234,
    uiso = 0.1875
    )

)
    
AtomSet(
  Atom SE(
    coords = ( 0.61290, -0.32010, -0.98730 ),
    occ = 1.480,
    uiso = 0.2717
    )
,
  Atom SE(
    coords = ( 0.70660, 0.16450, -1.08020 ),
    occ = 1.320,
    uiso = 0.3208
    )
,
  Atom SE(
    coords = ( 0.26210, -0.18530, -1.01650 ),
    occ = 1.280,
    uiso = 0.2599
    )
,
  Atom SE(
    coords = ( 0.02820, 0.75730, 0.10010 ),
    occ = 0.230,
    uiso = 0.1874
    )

)
    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 87: tst_rnp_no_bref_toxd - python
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

auto_pak_rnp_function
vrms_refinement
symmetry_information
solutions

auto_pak_rnp_function

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_SCORES
    

  
LLGScore(value = 62.16)

    

  
LLGScore(value = 62.16)

    
OK
  

Back to comparisons
vrms_refinement

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
VRMS_ENSEMBLE
    

  

  
Text(value = toxd)


    

  

  
Text(value = toxd)


    
OK
  
  

    
VRMS_RMS
    

  

  

  
VRMS(value = 1.194)
  
VRMS(value = 1.179)



    

  

  

  
VRMS(value = 1.194)
  
VRMS(value = 1.179)



    
OK
  

Back to comparisons
symmetry_information

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
UNIT_CELL
    

  
CellAxis(value = 73.582)
  
CellAxis(value = 38.733)
  
CellAxis(value = 23.189)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    

  
CellAxis(value = 73.582)
  
CellAxis(value = 38.733)
  
CellAxis(value = 23.189)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    
OK
  

Back to comparisons
solutions

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_ANNOTATIONS
    

  
Text(value =  RFZ=3.7 TFZ=8.1 LLG=62 TFZ==8.2)

    

  
Text(value =  RFZ=3.7 TFZ=8.1 LLG=62 TFZ==8.2)

    
OK
  
  

    
SOLUTION_COUNT
    
Integer(value = 1)
    
Integer(value = 1)
    
OK
  
  

    
BFACTOR
    

  

  
Bfactor(value = 0.000)


    

  

  
Bfactor(value = 0.000)


    
OK
  
  

    
SOLUTIONS
    

  
Solution(
  Molecule(
    ensemble = toxd,
    rotation = ( 142.69, 22.45, 202.57 ),
    translation = ( 0.88160, 0.19857, 0.92893 )
    )

)

    

  
Solution(
  Molecule(
    ensemble = toxd,
    rotation = ( 142.69, 22.45, 202.57 ),
    translation = ( 0.88160, 0.19857, 0.92893 )
    )

)

    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 8, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 88: tst_rnp_no_bref_toxd - script
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

auto_pak_rnp_function
symmetry_information
solutions
vrms_refinement

auto_pak_rnp_function

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_SCORES
    

  
LLGScore(value = 62.16)

    

  
LLGScore(value = 62.20)

    
OK
  

Back to comparisons
symmetry_information

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
UNIT_CELL
    

  
CellAxis(value = 73.582)
  
CellAxis(value = 38.733)
  
CellAxis(value = 23.189)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    

  
CellAxis(value = 73.580)
  
CellAxis(value = 38.730)
  
CellAxis(value = 23.190)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    
OK
  

Back to comparisons
solutions

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_ANNOTATIONS
    

  
Text(value =  RFZ=3.7 TFZ=8.1 LLG=62 TFZ==8.2)

    

  
Text(value =  RFZ=3.7 TFZ=8.1 LLG=62 TFZ==8.2)

    
OK
  
  

    
SOLUTION_COUNT
    
Integer(value = 1)
    
Integer(value = 1)
    
OK
  
  

    
BFACTOR
    

  

  
Bfactor(value = 0.000)


    

  

  
Bfactor(value = 0.000)


    
OK
  
  

    
SOLUTIONS
    

  
Solution(
  Molecule(
    ensemble = toxd,
    rotation = ( 142.69, 22.45, 202.57 ),
    translation = ( 0.88160, 0.19857, 0.92893 )
    )

)

    

  
Solution(
  Molecule(
    ensemble = toxd,
    rotation = ( 142.69, 22.45, 202.57 ),
    translation = ( 0.88160, 0.19857, 0.92893 )
    )

)

    
OK
  

Back to comparisons
vrms_refinement

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
VRMS_RMS
    

  

  

  
VRMS(value = 1.194)
  
VRMS(value = 1.179)



    

  

  

  
VRMS(value = 1.197)
  
VRMS(value = 1.180)



    
OK
  
  

    
VRMS_ENSEMBLE
    

  

  
Text(value = toxd)


    

  

  
Text(value = toxd)


    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 8, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 89: tst_frf_toxd - python
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

rotation_function
symmetry_information

rotation_function

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_COUNT
    
Integer(value = 7)
    
Integer(value = 7)
    
OK
  
  

    
SOLUTION_ANNOTATION
    
Text(value = )
    
Text(value = )
    
OK
  
  

    
SOLUTIONS
    

  
RotationPeak(
  ensemble = toxd,
  rotation = ( 146.01, 21.65, 198.31 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 126.73, 33.62, 238.43 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 133.14, 32.24, 213.46 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 73.35, 41.57, 130.79 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 117.43, 27.17, 228.17 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 68.77, 59.35, 222.29 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 110.76, 41.23, 217.22 )
  )

    

  
RotationPeak(
  ensemble = toxd,
  rotation = ( 146.01, 21.65, 198.31 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 126.73, 33.62, 238.43 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 133.14, 32.24, 213.46 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 73.35, 41.57, 130.79 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 117.43, 27.17, 228.17 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 68.77, 59.35, 222.29 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 110.76, 41.23, 217.22 )
  )

    
OK
  
  

    
SOLUTION_SCORES
    

  
RFScore(value = 9.890)
  
RFScore(value = 7.757)
  
RFScore(value = 6.554)
  
RFScore(value = 6.542)
  
RFScore(value = 4.977)
  
RFScore(value = 1.954)
  
RFScore(value = 1.053)

    

  
RFScore(value = 9.890)
  
RFScore(value = 7.757)
  
RFScore(value = 6.554)
  
RFScore(value = 6.542)
  
RFScore(value = 4.977)
  
RFScore(value = 1.954)
  
RFScore(value = 1.053)

    
OK
  
  

    
SOLUTION_Z_SCORES
    

  
ZScore(value = 3.8836)
  
ZScore(value = 3.6734)
  
ZScore(value = 3.5548)
  
ZScore(value = 3.5536)
  
ZScore(value = 3.3994)
  
ZScore(value = 3.1014)
  
ZScore(value = 3.0125)

    

  
ZScore(value = 3.8836)
  
ZScore(value = 3.6734)
  
ZScore(value = 3.5548)
  
ZScore(value = 3.5536)
  
ZScore(value = 3.3994)
  
ZScore(value = 3.1014)
  
ZScore(value = 3.0125)

    
OK
  

Back to comparisons
symmetry_information

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
UNIT_CELL
    

  
CellAxis(value = 73.582)
  
CellAxis(value = 38.733)
  
CellAxis(value = 23.189)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    

  
CellAxis(value = 73.582)
  
CellAxis(value = 38.733)
  
CellAxis(value = 23.189)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 6, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 90: tst_frf_toxd - script
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

rotation_function
symmetry_information

rotation_function

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
SOLUTION_COUNT
    
Integer(value = 7)
    
Integer(value = 7)
    
OK
  
  

    
SOLUTION_ANNOTATION
    
Text(value = )
    
Text(value = )
    
OK
  
  

    
SOLUTIONS
    

  
RotationPeak(
  ensemble = toxd,
  rotation = ( 146.01, 21.65, 198.31 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 126.73, 33.62, 238.43 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 133.14, 32.24, 213.46 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 73.35, 41.57, 130.79 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 117.43, 27.17, 228.17 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 68.77, 59.35, 222.29 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 110.76, 41.23, 217.22 )
  )

    

  
RotationPeak(
  ensemble = toxd,
  rotation = ( 146.01, 21.65, 198.31 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 126.73, 33.62, 238.43 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 133.14, 32.24, 213.47 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 73.35, 41.57, 130.79 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 117.43, 27.17, 228.17 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 68.77, 59.35, 222.29 )
  )
  
RotationPeak(
  ensemble = toxd,
  rotation = ( 110.76, 41.23, 217.22 )
  )

    
OK
  
  

    
SOLUTION_SCORES
    

  
RFScore(value = 9.890)
  
RFScore(value = 7.757)
  
RFScore(value = 6.554)
  
RFScore(value = 6.542)
  
RFScore(value = 4.977)
  
RFScore(value = 1.954)
  
RFScore(value = 1.053)

    

  
RFScore(value = 9.890)
  
RFScore(value = 7.760)
  
RFScore(value = 6.550)
  
RFScore(value = 6.540)
  
RFScore(value = 4.980)
  
RFScore(value = 1.950)
  
RFScore(value = 1.050)

    
OK
  
  

    
SOLUTION_Z_SCORES
    

  
ZScore(value = 3.8836)
  
ZScore(value = 3.6734)
  
ZScore(value = 3.5548)
  
ZScore(value = 3.5536)
  
ZScore(value = 3.3994)
  
ZScore(value = 3.1014)
  
ZScore(value = 3.0125)

    

  
ZScore(value = 3.8800)
  
ZScore(value = 3.6700)
  
ZScore(value = 3.5500)
  
ZScore(value = 3.5500)
  
ZScore(value = 3.4000)
  
ZScore(value = 3.1000)
  
ZScore(value = 3.0100)

    
OK
  

Back to comparisons
symmetry_information

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
UNIT_CELL
    

  
CellAxis(value = 73.582)
  
CellAxis(value = 38.733)
  
CellAxis(value = 23.189)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    

  
CellAxis(value = 73.580)
  
CellAxis(value = 38.730)
  
CellAxis(value = 23.190)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)
  
CellAngle(value = 90.00)

    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 6, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 91: tst_ep_partial_iod - python
ERROR
Jump to output, traceback or message
Output:
Temporary folder: /tmp/tmpN43Jvs
# Running test with phaser python interface using crash-safe mode #
Temporary folder contents:
/tmp/tmpN43Jvs:
	tmp3ZdMdK.in.pickle
	tmpezYQ2Z.out.pickle
Cleaning up temporary folder...done


Back to test
Full traceback:
Traceback (most recent call last):
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_runner.py", line 1048, in run_multiple_tests
    resfilesuffix = params.suffix
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_runner.py", line 181, in run_test_and_compare
    resfilesuffix = resfilesuffix,
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_runner.py", line 116, in execute_test
    resfilesuffix = resfilesuffix,
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_run_engine.py", line 68, in python_safe
    raise RuntimeError( "Error exit from process")
RuntimeError: Error exit from process


Back to test
ERROR: Error exit from process
Test 92: tst_ep_partial_iod - script
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

sad_specific_statistics
ep_dataset_statistics
ep_phasing_statistics

sad_specific_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
F_PRIME
    

  
ScatteringFactor(value = -0.58)

    

  
ScatteringFactor(value = -0.58)

    
OK
  
  

    
F_ELEM
    

  
Text(value = I)

    

  
Text(value = I)

    
OK
  
  

    
F_DOUBLEPRIME
    

  
ScatteringFactor(value = 6.84)

    

  
ScatteringFactor(value = 6.84)

    
OK
  

Back to comparisons
ep_dataset_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
MILLER_SIZE
    
Integer(value = 10038)
    
Integer(value = 10038)
    
OK
  

Back to comparisons
ep_phasing_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
LLG
    
SAD_LLG(value = -1411.0)
    
SAD_LLG(value = -1411.0)
    
OK
  
  

    
ATOMS_COUNT
    
Integer(value = 17)
    
Integer(value = 17)
    
OK
  
  

    
ATOMS
    
AtomSet(
  Atom I(
    coords = ( 0.00647, 0.30358, 0.65021 ),
    occ = 0.695,
    uiso = 0.2977
    )
,
  Atom I(
    coords = ( 0.15715, 0.15715, 0.50000 ),
    occ = 0.647,
    uiso = 0.2800
    )
,
  Atom I(
    coords = ( 0.09206, 0.13122, 0.39663 ),
    occ = 0.475,
    uiso = 0.2588
    )
,
  Atom I(
    coords = ( -0.10196, 0.39101, 0.27993 ),
    occ = 0.277,
    uiso = 0.2288
    )
,
  Atom I(
    coords = ( -0.04009, 0.07863, -0.08073 ),
    occ = 0.357,
    uiso = 0.3621
    )
,
  Atom I(
    coords = ( 0.04183, 0.26094, -0.17370 ),
    occ = 0.416,
    uiso = 0.3748
    )
,
  Atom I(
    coords = ( 0.14866, 0.37361, 0.43286 ),
    occ = 0.276,
    uiso = 0.2888
    )
,
  Atom I(
    coords = ( 0.13353, 0.45935, 0.36526 ),
    occ = 0.374,
    uiso = 0.3288
    )
,
  Atom I(
    coords = ( -0.14293, 0.20037, 0.65600 ),
    occ = 0.183,
    uiso = 0.3199
    )
,
  Atom I(
    coords = ( -0.14746, 0.13838, -0.13291 ),
    occ = 0.148,
    uiso = 0.2756
    )
,
  Atom I(
    coords = ( -0.12024, 0.24446, 0.41384 ),
    occ = 0.140,
    uiso = 0.2282
    )
,
  Atom I(
    coords = ( -0.04238, 0.30684, -0.01719 ),
    occ = 0.159,
    uiso = 0.3197
    )
,
  Atom I(
    coords = ( 0.13115, 0.16942, 0.15366 ),
    occ = 0.102,
    uiso = 0.2343
    )
,
  Atom I(
    coords = ( 0.03658, 0.38795, 0.72499 ),
    occ = 0.123,
    uiso = 0.2982
    )
,
  Atom I(
    coords = ( 0.06891, 0.17172, -0.01956 ),
    occ = 0.111,
    uiso = 0.2641
    )
,
  Atom I(
    coords = ( 0.03442, 0.47654, 0.53419 ),
    occ = 0.127,
    uiso = 0.3221
    )
,
  Atom I(
    coords = ( 0.07260, 0.11641, 0.06771 ),
    occ = 0.096,
    uiso = 0.2509
    )

)
    
AtomSet(
  Atom I(
    coords = ( 0.00650, 0.30360, 0.65020 ),
    occ = 0.690,
    uiso = 0.2976
    )
,
  Atom I(
    coords = ( 0.15710, 0.15710, 0.50000 ),
    occ = 0.650,
    uiso = 0.2799
    )
,
  Atom I(
    coords = ( 0.09210, 0.13120, 0.39660 ),
    occ = 0.470,
    uiso = 0.2587
    )
,
  Atom I(
    coords = ( -0.10200, 0.39100, 0.27990 ),
    occ = 0.280,
    uiso = 0.2287
    )
,
  Atom I(
    coords = ( -0.04010, 0.07860, -0.08070 ),
    occ = 0.360,
    uiso = 0.3621
    )
,
  Atom I(
    coords = ( 0.04180, 0.26090, -0.17370 ),
    occ = 0.420,
    uiso = 0.3748
    )
,
  Atom I(
    coords = ( 0.14870, 0.37360, 0.43290 ),
    occ = 0.280,
    uiso = 0.2888
    )
,
  Atom I(
    coords = ( 0.13350, 0.45930, 0.36530 ),
    occ = 0.370,
    uiso = 0.3288
    )
,
  Atom I(
    coords = ( -0.14290, 0.20040, 0.65600 ),
    occ = 0.180,
    uiso = 0.3199
    )
,
  Atom I(
    coords = ( -0.14750, 0.13840, -0.13290 ),
    occ = 0.150,
    uiso = 0.2756
    )
,
  Atom I(
    coords = ( -0.12020, 0.24450, 0.41380 ),
    occ = 0.140,
    uiso = 0.2282
    )
,
  Atom I(
    coords = ( -0.04240, 0.30680, -0.01720 ),
    occ = 0.160,
    uiso = 0.3197
    )
,
  Atom I(
    coords = ( 0.13120, 0.16940, 0.15370 ),
    occ = 0.100,
    uiso = 0.2343
    )
,
  Atom I(
    coords = ( 0.03660, 0.38800, 0.72500 ),
    occ = 0.120,
    uiso = 0.2981
    )
,
  Atom I(
    coords = ( 0.06890, 0.17170, -0.01960 ),
    occ = 0.110,
    uiso = 0.2641
    )
,
  Atom I(
    coords = ( 0.03440, 0.47650, 0.53420 ),
    occ = 0.130,
    uiso = 0.3221
    )
,
  Atom I(
    coords = ( 0.07260, 0.11640, 0.06770 ),
    occ = 0.100,
    uiso = 0.2509
    )

)
    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 93: tstb_ep_apt_br - python
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

sad_specific_statistics
ep_dataset_statistics
ep_phasing_statistics

sad_specific_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
F_PRIME
    

  
ScatteringFactor(value = -7.00)

    

  
ScatteringFactor(value = -7.00)

    
OK
  
  

    
F_ELEM
    

  
Text(value = BR)

    

  
Text(value = BR)

    
OK
  
  

    
F_DOUBLEPRIME
    

  
ScatteringFactor(value = 3.83)

    

  
ScatteringFactor(value = 3.82)

    
OK
  

Back to comparisons
ep_dataset_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
MILLER_SIZE
    
Integer(value = 17071)
    
Integer(value = 17071)
    
OK
  

Back to comparisons
ep_phasing_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
LLG
    
SAD_LLG(value = -1785.2)
    
SAD_LLG(value = -1785.3)
    
OK
  
  

    
ATOMS_COUNT
    
Integer(value = 32)
    
Integer(value = 32)
    
OK
  
  

    
ATOMS
    
AtomSet(
  Atom BR(
    coords = ( 0.07344, 0.00013, 0.11700 ),
    occ = 1.112,
    uiso = 0.1126
    )
,
  Atom BR(
    coords = ( 0.32887, 0.10107, 0.37326 ),
    occ = 1.049,
    uiso = 0.0931
    )
,
  Atom BR(
    coords = ( 0.04493, 0.73904, 0.33500 ),
    occ = 0.862,
    uiso = 0.1300
    )
,
  Atom BR(
    coords = ( 0.22629, 0.36041, 0.49863 ),
    occ = 0.820,
    uiso = 0.1573
    )
,
  Atom BR(
    coords = ( 0.18163, 0.68051, 0.17150 ),
    occ = 0.825,
    uiso = 0.2195
    )
,
  Atom BR(
    coords = ( 0.19429, 0.39204, 0.04655 ),
    occ = 0.479,
    uiso = 0.0635
    )
,
  Atom BR(
    coords = ( 0.38817, 0.41948, 0.36540 ),
    occ = 0.737,
    uiso = 0.2053
    )
,
  Atom BR(
    coords = ( 0.13875, 0.05609, 0.12311 ),
    occ = 0.628,
    uiso = 0.1562
    )
,
  Atom BR(
    coords = ( 0.50113, 0.70780, 0.35992 ),
    occ = 0.580,
    uiso = 0.1745
    )
,
  Atom BR(
    coords = ( 0.32054, 0.98717, 0.71909 ),
    occ = 0.367,
    uiso = 0.1598
    )
,
  Atom BR(
    coords = ( 0.32417, 0.04285, 0.30956 ),
    occ = 0.532,
    uiso = 0.1005
    )
,
  Atom BR(
    coords = ( 0.45394, 0.07144, 0.87581 ),
    occ = 0.509,
    uiso = 0.1478
    )
,
  Atom BR(
    coords = ( 0.43981, 0.79879, 0.00767 ),
    occ = 0.432,
    uiso = 0.1383
    )
,
  Atom BR(
    coords = ( -0.42530, -0.97215, -0.00341 ),
    occ = 0.406,
    uiso = 0.1060
    )
,
  Atom BR(
    coords = ( -0.10598, -0.83713, -0.78046 ),
    occ = 0.381,
    uiso = 0.1769
    )
,
  Atom BR(
    coords = ( -0.26917, -0.88741, -0.87121 ),
    occ = 0.361,
    uiso = 0.0957
    )
,
  Atom BR(
    coords = ( -0.47261, -0.09681, -0.00320 ),
    occ = 0.382,
    uiso = 0.1439
    )
,
  Atom BR(
    coords = ( -0.22513, -0.56172, -0.55369 ),
    occ = 0.314,
    uiso = 0.1389
    )
,
  Atom BR(
    coords = ( -0.38259, -0.69678, -0.45095 ),
    occ = 0.282,
    uiso = 0.0858
    )
,
  Atom BR(
    coords = ( -0.45785, -0.30362, -0.91889 ),
    occ = 0.267,
    uiso = 0.1114
    )
,
  Atom BR(
    coords = ( -0.34239, -0.78218, -0.46340 ),
    occ = 0.272,
    uiso = 0.1499
    )
,
  Atom BR(
    coords = ( -0.39703, -0.60052, -0.80561 ),
    occ = 0.273,
    uiso = 0.1341
    )
,
  Atom BR(
    coords = ( -0.33415, -0.46106, -0.75117 ),
    occ = 0.238,
    uiso = 0.1112
    )
,
  Atom BR(
    coords = ( -0.39565, -0.97461, -0.73071 ),
    occ = 0.231,
    uiso = 0.1156
    )
,
  Atom BR(
    coords = ( -0.50026, -0.13990, -0.98706 ),
    occ = 0.177,
    uiso = 0.0626
    )
,
  Atom BR(
    coords = ( -0.22858, -0.09726, -0.66829 ),
    occ = 0.226,
    uiso = 0.1230
    )
,
  Atom BR(
    coords = ( -0.07595, -0.67708, -0.31818 ),
    occ = 0.221,
    uiso = 0.1290
    )
,
  Atom BR(
    coords = ( -0.40128, -0.46439, -0.16781 ),
    occ = 0.221,
    uiso = 0.1476
    )
,
  Atom BR(
    coords = ( -0.19228, -0.10247, -0.07821 ),
    occ = 0.310,
    uiso = 0.0856
    )
,
  Atom BR(
    coords = ( -0.47085, -0.92646, -0.43758 ),
    occ = 0.205,
    uiso = 0.1316
    )
,
  Atom BR(
    coords = ( -0.17814, -0.42473, -0.84250 ),
    occ = 0.192,
    uiso = 0.1014
    )
,
  Atom BR(
    coords = ( -0.39844, -0.69891, -0.38757 ),
    occ = 0.202,
    uiso = 0.1375
    )

)
    
AtomSet(
  Atom BR(
    coords = ( 0.07344, 0.00013, 0.11697 ),
    occ = 1.110,
    uiso = 0.1095
    )
,
  Atom BR(
    coords = ( 0.32898, 0.10107, 0.37322 ),
    occ = 1.057,
    uiso = 0.0955
    )
,
  Atom BR(
    coords = ( 0.04492, 0.73905, 0.33498 ),
    occ = 0.876,
    uiso = 0.1349
    )
,
  Atom BR(
    coords = ( 0.22627, 0.36042, 0.49864 ),
    occ = 0.821,
    uiso = 0.1545
    )
,
  Atom BR(
    coords = ( 0.18163, 0.68051, 0.17151 ),
    occ = 0.830,
    uiso = 0.2195
    )
,
  Atom BR(
    coords = ( 0.19437, 0.39188, 0.04561 ),
    occ = 0.448,
    uiso = 0.0490
    )
,
  Atom BR(
    coords = ( 0.38816, 0.41948, 0.36543 ),
    occ = 0.737,
    uiso = 0.2058
    )
,
  Atom BR(
    coords = ( 0.13877, 0.05608, 0.12313 ),
    occ = 0.632,
    uiso = 0.1563
    )
,
  Atom BR(
    coords = ( 0.50111, 0.70782, 0.35992 ),
    occ = 0.574,
    uiso = 0.1705
    )
,
  Atom BR(
    coords = ( 0.32055, 0.98719, 0.71908 ),
    occ = 0.369,
    uiso = 0.1604
    )
,
  Atom BR(
    coords = ( 0.32418, 0.04288, 0.30960 ),
    occ = 0.527,
    uiso = 0.0959
    )
,
  Atom BR(
    coords = ( 0.45390, 0.07146, 0.87577 ),
    occ = 0.508,
    uiso = 0.1450
    )
,
  Atom BR(
    coords = ( 0.43983, 0.79879, 0.00771 ),
    occ = 0.429,
    uiso = 0.1340
    )
,
  Atom BR(
    coords = ( -0.42532, -0.97215, -0.00332 ),
    occ = 0.411,
    uiso = 0.1075
    )
,
  Atom BR(
    coords = ( -0.10599, -0.83712, -0.78046 ),
    occ = 0.380,
    uiso = 0.1751
    )
,
  Atom BR(
    coords = ( -0.26918, -0.88743, -0.87121 ),
    occ = 0.369,
    uiso = 0.1052
    )
,
  Atom BR(
    coords = ( -0.47258, -0.09680, -0.00315 ),
    occ = 0.382,
    uiso = 0.1443
    )
,
  Atom BR(
    coords = ( -0.22508, -0.56170, -0.55377 ),
    occ = 0.315,
    uiso = 0.1370
    )
,
  Atom BR(
    coords = ( -0.38257, -0.69677, -0.45092 ),
    occ = 0.278,
    uiso = 0.0791
    )
,
  Atom BR(
    coords = ( -0.45785, -0.30364, -0.91886 ),
    occ = 0.268,
    uiso = 0.1113
    )
,
  Atom BR(
    coords = ( -0.34238, -0.78219, -0.46342 ),
    occ = 0.272,
    uiso = 0.1491
    )
,
  Atom BR(
    coords = ( -0.39699, -0.60051, -0.80566 ),
    occ = 0.273,
    uiso = 0.1337
    )
,
  Atom BR(
    coords = ( -0.33418, -0.46105, -0.75112 ),
    occ = 0.238,
    uiso = 0.1130
    )
,
  Atom BR(
    coords = ( -0.39561, -0.97459, -0.73067 ),
    occ = 0.232,
    uiso = 0.1176
    )
,
  Atom BR(
    coords = ( -0.50026, -0.13985, -0.98706 ),
    occ = 0.177,
    uiso = 0.0626
    )
,
  Atom BR(
    coords = ( -0.22849, -0.09725, -0.66836 ),
    occ = 0.228,
    uiso = 0.1260
    )
,
  Atom BR(
    coords = ( -0.07588, -0.67710, -0.31815 ),
    occ = 0.222,
    uiso = 0.1265
    )
,
  Atom BR(
    coords = ( -0.40127, -0.46439, -0.16784 ),
    occ = 0.221,
    uiso = 0.1452
    )
,
  Atom BR(
    coords = ( -0.19228, -0.10270, -0.07622 ),
    occ = 0.327,
    uiso = 0.0863
    )
,
  Atom BR(
    coords = ( -0.47090, -0.92647, -0.43778 ),
    occ = 0.205,
    uiso = 0.1336
    )
,
  Atom BR(
    coords = ( -0.17819, -0.42472, -0.84248 ),
    occ = 0.191,
    uiso = 0.1002
    )
,
  Atom BR(
    coords = ( -0.39842, -0.69893, -0.38760 ),
    occ = 0.202,
    uiso = 0.1373
    )

)
    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 94: tstb_ep_apt_br - script
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

sad_specific_statistics
ep_dataset_statistics
ep_phasing_statistics

sad_specific_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
F_PRIME
    

  
ScatteringFactor(value = -7.00)

    

  
ScatteringFactor(value = -7.00)

    
OK
  
  

    
F_ELEM
    

  
Text(value = BR)

    

  
Text(value = BR)

    
OK
  
  

    
F_DOUBLEPRIME
    

  
ScatteringFactor(value = 3.83)

    

  
ScatteringFactor(value = 3.84)

    
OK
  

Back to comparisons
ep_dataset_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
MILLER_SIZE
    
Integer(value = 17071)
    
Integer(value = 17071)
    
OK
  

Back to comparisons
ep_phasing_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
LLG
    
SAD_LLG(value = -1785.2)
    
SAD_LLG(value = -1798.6)
    
-1785.1919376 outside tolerance (2.0) of -1798.62
  
  

    
ATOMS_COUNT
    
Integer(value = 32)
    
Integer(value = 32)
    
OK
  
  

    
ATOMS
    
AtomSet(
  Atom BR(
    coords = ( 0.07344, 0.00013, 0.11700 ),
    occ = 1.112,
    uiso = 0.1126
    )
,
  Atom BR(
    coords = ( 0.32887, 0.10107, 0.37326 ),
    occ = 1.049,
    uiso = 0.0931
    )
,
  Atom BR(
    coords = ( 0.04493, 0.73904, 0.33500 ),
    occ = 0.862,
    uiso = 0.1300
    )
,
  Atom BR(
    coords = ( 0.22629, 0.36041, 0.49863 ),
    occ = 0.820,
    uiso = 0.1573
    )
,
  Atom BR(
    coords = ( 0.18163, 0.68051, 0.17150 ),
    occ = 0.825,
    uiso = 0.2195
    )
,
  Atom BR(
    coords = ( 0.19429, 0.39204, 0.04655 ),
    occ = 0.479,
    uiso = 0.0635
    )
,
  Atom BR(
    coords = ( 0.38817, 0.41948, 0.36540 ),
    occ = 0.737,
    uiso = 0.2053
    )
,
  Atom BR(
    coords = ( 0.13875, 0.05609, 0.12311 ),
    occ = 0.628,
    uiso = 0.1562
    )
,
  Atom BR(
    coords = ( 0.50113, 0.70780, 0.35992 ),
    occ = 0.580,
    uiso = 0.1745
    )
,
  Atom BR(
    coords = ( 0.32054, 0.98717, 0.71909 ),
    occ = 0.367,
    uiso = 0.1598
    )
,
  Atom BR(
    coords = ( 0.32417, 0.04285, 0.30956 ),
    occ = 0.532,
    uiso = 0.1005
    )
,
  Atom BR(
    coords = ( 0.45394, 0.07144, 0.87581 ),
    occ = 0.509,
    uiso = 0.1478
    )
,
  Atom BR(
    coords = ( 0.43981, 0.79879, 0.00767 ),
    occ = 0.432,
    uiso = 0.1383
    )
,
  Atom BR(
    coords = ( -0.42530, -0.97215, -0.00341 ),
    occ = 0.406,
    uiso = 0.1060
    )
,
  Atom BR(
    coords = ( -0.10598, -0.83713, -0.78046 ),
    occ = 0.381,
    uiso = 0.1769
    )
,
  Atom BR(
    coords = ( -0.26917, -0.88741, -0.87121 ),
    occ = 0.361,
    uiso = 0.0957
    )
,
  Atom BR(
    coords = ( -0.47261, -0.09681, -0.00320 ),
    occ = 0.382,
    uiso = 0.1439
    )
,
  Atom BR(
    coords = ( -0.22513, -0.56172, -0.55369 ),
    occ = 0.314,
    uiso = 0.1389
    )
,
  Atom BR(
    coords = ( -0.38259, -0.69678, -0.45095 ),
    occ = 0.282,
    uiso = 0.0858
    )
,
  Atom BR(
    coords = ( -0.45785, -0.30362, -0.91889 ),
    occ = 0.267,
    uiso = 0.1114
    )
,
  Atom BR(
    coords = ( -0.34239, -0.78218, -0.46340 ),
    occ = 0.272,
    uiso = 0.1499
    )
,
  Atom BR(
    coords = ( -0.39703, -0.60052, -0.80561 ),
    occ = 0.273,
    uiso = 0.1341
    )
,
  Atom BR(
    coords = ( -0.33415, -0.46106, -0.75117 ),
    occ = 0.238,
    uiso = 0.1112
    )
,
  Atom BR(
    coords = ( -0.39565, -0.97461, -0.73071 ),
    occ = 0.231,
    uiso = 0.1156
    )
,
  Atom BR(
    coords = ( -0.50026, -0.13990, -0.98706 ),
    occ = 0.177,
    uiso = 0.0626
    )
,
  Atom BR(
    coords = ( -0.22858, -0.09726, -0.66829 ),
    occ = 0.226,
    uiso = 0.1230
    )
,
  Atom BR(
    coords = ( -0.07595, -0.67708, -0.31818 ),
    occ = 0.221,
    uiso = 0.1290
    )
,
  Atom BR(
    coords = ( -0.40128, -0.46439, -0.16781 ),
    occ = 0.221,
    uiso = 0.1476
    )
,
  Atom BR(
    coords = ( -0.19228, -0.10247, -0.07821 ),
    occ = 0.310,
    uiso = 0.0856
    )
,
  Atom BR(
    coords = ( -0.47085, -0.92646, -0.43758 ),
    occ = 0.205,
    uiso = 0.1316
    )
,
  Atom BR(
    coords = ( -0.17814, -0.42473, -0.84250 ),
    occ = 0.192,
    uiso = 0.1014
    )
,
  Atom BR(
    coords = ( -0.39844, -0.69891, -0.38757 ),
    occ = 0.202,
    uiso = 0.1375
    )

)
    
AtomSet(
  Atom BR(
    coords = ( -0.07340, -0.00010, -0.11700 ),
    occ = 1.130,
    uiso = 0.1149
    )
,
  Atom BR(
    coords = ( -0.32910, -0.10100, -0.37320 ),
    occ = 1.070,
    uiso = 0.1007
    )
,
  Atom BR(
    coords = ( -0.04500, -0.73900, -0.33500 ),
    occ = 0.870,
    uiso = 0.1369
    )
,
  Atom BR(
    coords = ( -0.22630, -0.36040, -0.49880 ),
    occ = 0.810,
    uiso = 0.1487
    )
,
  Atom BR(
    coords = ( -0.18160, -0.68030, -0.17130 ),
    occ = 0.820,
    uiso = 0.2252
    )
,
  Atom BR(
    coords = ( -0.19370, -0.39370, -0.05550 ),
    occ = 0.620,
    uiso = -1.0000
    )
,
  Atom BR(
    coords = ( -0.38790, -0.41940, -0.36560 ),
    occ = 0.730,
    uiso = 0.2063
    )
,
  Atom BR(
    coords = ( -0.13870, -0.05600, -0.12290 ),
    occ = 0.630,
    uiso = 0.1591
    )
,
  Atom BR(
    coords = ( -0.50080, -0.70770, -0.35960 ),
    occ = 0.570,
    uiso = 0.1676
    )
,
  Atom BR(
    coords = ( -0.32080, -0.98710, -0.71910 ),
    occ = 0.370,
    uiso = 0.1624
    )
,
  Atom BR(
    coords = ( -0.32420, -0.04290, -0.30940 ),
    occ = 0.520,
    uiso = 0.0983
    )
,
  Atom BR(
    coords = ( -0.45380, -0.07140, -0.87560 ),
    occ = 0.500,
    uiso = 0.1455
    )
,
  Atom BR(
    coords = ( -0.43990, -0.79870, -0.00810 ),
    occ = 0.420,
    uiso = 0.1289
    )
,
  Atom BR(
    coords = ( 0.42540, 0.97220, 0.00340 ),
    occ = 0.410,
    uiso = 0.1047
    )
,
  Atom BR(
    coords = ( 0.10600, 0.83710, 0.78060 ),
    occ = 0.370,
    uiso = 0.1711
    )
,
  Atom BR(
    coords = ( 0.26900, 0.88750, 0.87100 ),
    occ = 0.380,
    uiso = 0.1109
    )
,
  Atom BR(
    coords = ( 0.47230, 0.09690, 0.00300 ),
    occ = 0.380,
    uiso = 0.1432
    )
,
  Atom BR(
    coords = ( 0.22480, 0.56160, 0.55460 ),
    occ = 0.320,
    uiso = 0.1397
    )
,
  Atom BR(
    coords = ( 0.38260, 0.69700, 0.45090 ),
    occ = 0.270,
    uiso = 0.0793
    )
,
  Atom BR(
    coords = ( 0.45740, 0.30380, 0.91860 ),
    occ = 0.270,
    uiso = 0.1125
    )
,
  Atom BR(
    coords = ( 0.34250, 0.78220, 0.46300 ),
    occ = 0.270,
    uiso = 0.1415
    )
,
  Atom BR(
    coords = ( 0.39620, 0.60060, 0.80540 ),
    occ = 0.270,
    uiso = 0.1280
    )
,
  Atom BR(
    coords = ( 0.33380, 0.46120, 0.75090 ),
    occ = 0.230,
    uiso = 0.1115
    )
,
  Atom BR(
    coords = ( 0.39580, 0.97470, 0.73100 ),
    occ = 0.240,
    uiso = 0.1191
    )
,
  Atom BR(
    coords = ( 0.50000, 0.13980, 0.98690 ),
    occ = 0.170,
    uiso = 0.0635
    )
,
  Atom BR(
    coords = ( 0.22900, 0.09710, 0.66850 ),
    occ = 0.230,
    uiso = 0.1230
    )
,
  Atom BR(
    coords = ( 0.07560, 0.67700, 0.31780 ),
    occ = 0.230,
    uiso = 0.1263
    )
,
  Atom BR(
    coords = ( 0.40160, 0.46460, 0.16820 ),
    occ = 0.220,
    uiso = 0.1491
    )
,
  Atom BR(
    coords = ( 0.47030, 0.92660, 0.43800 ),
    occ = 0.210,
    uiso = 0.1405
    )
,
  Atom BR(
    coords = ( 0.39790, 0.69930, 0.38730 ),
    occ = 0.200,
    uiso = 0.1445
    )
,
  Atom BR(
    coords = ( 0.17870, 0.42500, 0.84290 ),
    occ = 0.180,
    uiso = 0.1022
    )
,
  Atom BR(
    coords = ( 0.29160, 0.75000, 0.88480 ),
    occ = 0.170,
    uiso = 0.0963
    )

)
    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 1, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
ERROR: incorrect results
Test 95: tstb_ep_ssadins - python
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

sad_specific_statistics
ep_dataset_statistics
ep_phasing_statistics

sad_specific_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
F_PRIME
    

  
ScatteringFactor(value = 0.32)

    

  
ScatteringFactor(value = 0.32)

    
OK
  
  

    
F_ELEM
    

  
Text(value = S)

    

  
Text(value = S)

    
OK
  
  

    
F_DOUBLEPRIME
    

  
ScatteringFactor(value = 0.56)

    

  
ScatteringFactor(value = 0.56)

    
OK
  

Back to comparisons
ep_dataset_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
MILLER_SIZE
    
Integer(value = 3632)
    
Integer(value = 3632)
    
OK
  

Back to comparisons
ep_phasing_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
LLG
    
SAD_LLG(value = -452.8)
    
SAD_LLG(value = -452.8)
    
OK
  
  

    
ATOMS_COUNT
    
Integer(value = 6)
    
Integer(value = 6)
    
OK
  
  

    
ATOMS
    
AtomSet(
  Atom S(
    coords = ( 0.27265, 0.42161, 0.67679 ),
    occ = 1.091,
    uiso = 0.2065
    )
,
  Atom S(
    coords = ( 0.31113, 0.61551, 0.38921 ),
    occ = 0.951,
    uiso = 0.2140
    )
,
  Atom S(
    coords = ( 0.24203, 0.51986, 0.58433 ),
    occ = 1.153,
    uiso = 0.2937
    )
,
  Atom S(
    coords = ( 0.00116, 0.41718, 0.72398 ),
    occ = 1.040,
    uiso = 0.3076
    )
,
  Atom S(
    coords = ( 0.10208, 0.11039, 0.66420 ),
    occ = 0.891,
    uiso = 0.2680
    )
,
  Atom S(
    coords = ( 0.09258, 0.33867, 0.78777 ),
    occ = 1.093,
    uiso = 0.2824
    )

)
    
AtomSet(
  Atom S(
    coords = ( 0.27265, 0.42161, 0.67679 ),
    occ = 1.091,
    uiso = 0.2065
    )
,
  Atom S(
    coords = ( 0.31113, 0.61551, 0.38921 ),
    occ = 0.951,
    uiso = 0.2140
    )
,
  Atom S(
    coords = ( 0.24203, 0.51986, 0.58433 ),
    occ = 1.153,
    uiso = 0.2937
    )
,
  Atom S(
    coords = ( 0.00116, 0.41718, 0.72398 ),
    occ = 1.040,
    uiso = 0.3076
    )
,
  Atom S(
    coords = ( 0.10208, 0.11039, 0.66420 ),
    occ = 0.891,
    uiso = 0.2680
    )
,
  Atom S(
    coords = ( 0.09258, 0.33867, 0.78777 ),
    occ = 1.093,
    uiso = 0.2824
    )

)
    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 96: tstb_ep_ssadins - script
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

sad_specific_statistics
ep_dataset_statistics
ep_phasing_statistics

sad_specific_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
F_PRIME
    

  
ScatteringFactor(value = 0.32)

    

  
ScatteringFactor(value = 0.32)

    
OK
  
  

    
F_ELEM
    

  
Text(value = S)

    

  
Text(value = S)

    
OK
  
  

    
F_DOUBLEPRIME
    

  
ScatteringFactor(value = 0.56)

    

  
ScatteringFactor(value = 0.56)

    
OK
  

Back to comparisons
ep_dataset_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
MILLER_SIZE
    
Integer(value = 3632)
    
Integer(value = 3632)
    
OK
  

Back to comparisons
ep_phasing_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
LLG
    
SAD_LLG(value = -452.8)
    
SAD_LLG(value = -452.8)
    
OK
  
  

    
ATOMS_COUNT
    
Integer(value = 6)
    
Integer(value = 6)
    
OK
  
  

    
ATOMS
    
AtomSet(
  Atom S(
    coords = ( 0.27265, 0.42161, 0.67679 ),
    occ = 1.091,
    uiso = 0.2065
    )
,
  Atom S(
    coords = ( 0.31113, 0.61551, 0.38921 ),
    occ = 0.951,
    uiso = 0.2140
    )
,
  Atom S(
    coords = ( 0.24203, 0.51986, 0.58433 ),
    occ = 1.153,
    uiso = 0.2937
    )
,
  Atom S(
    coords = ( 0.00116, 0.41718, 0.72398 ),
    occ = 1.040,
    uiso = 0.3076
    )
,
  Atom S(
    coords = ( 0.10208, 0.11039, 0.66420 ),
    occ = 0.891,
    uiso = 0.2680
    )
,
  Atom S(
    coords = ( 0.09258, 0.33867, 0.78777 ),
    occ = 1.093,
    uiso = 0.2824
    )

)
    
AtomSet(
  Atom S(
    coords = ( 0.27270, 0.42160, 0.67680 ),
    occ = 1.090,
    uiso = 0.2066
    )
,
  Atom S(
    coords = ( 0.31110, 0.61550, 0.38920 ),
    occ = 0.950,
    uiso = 0.2139
    )
,
  Atom S(
    coords = ( 0.24200, 0.51990, 0.58430 ),
    occ = 1.150,
    uiso = 0.2937
    )
,
  Atom S(
    coords = ( 0.00120, 0.41720, 0.72400 ),
    occ = 1.040,
    uiso = 0.3075
    )
,
  Atom S(
    coords = ( 0.10210, 0.11040, 0.66420 ),
    occ = 0.890,
    uiso = 0.2680
    )
,
  Atom S(
    coords = ( 0.09260, 0.33870, 0.78780 ),
    occ = 1.090,
    uiso = 0.2824
    )

)
    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 97: tst_prune_nagt - python
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

pruning_fraction
pruning_scores

pruning_fraction

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
PRUNE_FILE
    
Text(value = PHASER.1.pdb)
    
Text(value = PHASER.1.pdb)
    
OK
  
  

    
PRUNE_FRACTION
    
PruneFraction(value = 0.698)
    
PruneFraction(value = 0.698)
    
OK
  

Back to comparisons
pruning_scores

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
PRUNING_SCORE
    

  
LLGScore(value = 88.74)

    

  
LLGScore(value = 88.74)

    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 3, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 98: tst_prune_nagt - script
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

pruning_fraction
pruning_scores

pruning_fraction

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
PRUNE_FILE
    
Text(value = PHASER.1.pdb)
    
Text(value = PHASER.1.pdb)
    
OK
  
  

    
PRUNE_FRACTION
    
PruneFraction(value = 0.698)
    
PruneFraction(value = 0.698)
    
OK
  

Back to comparisons
pruning_scores

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
PRUNING_SCORE
    

  
LLGScore(value = 88.74)

    

  
LLGScore(value = 88.70)

    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 3, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK
Test 99: tstb_ep_rusti_cu_s - python
ERROR
Jump to output, traceback or message
Output:
Temporary folder: /tmp/tmpFP5fpn
# Running test with phaser python interface using crash-safe mode #
Temporary folder contents:
/tmp/tmpFP5fpn:
	tmpYZ6n_3.out.pickle
	tmppbbPex.in.pickle
Cleaning up temporary folder...done


Back to test
Full traceback:
Traceback (most recent call last):
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_runner.py", line 1048, in run_multiple_tests
    resfilesuffix = params.suffix
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_runner.py", line 181, in run_test_and_compare
    resfilesuffix = resfilesuffix,
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_runner.py", line 116, in execute_test
    resfilesuffix = resfilesuffix,
  File "/mnt/c/Users/phaserbuilder/NightlyBuilds/PhaserWSL/Current/modules/phaser_regression/test_run_engine.py", line 68, in python_safe
    raise RuntimeError( "Error exit from process")
RuntimeError: Error exit from process


Back to test
ERROR: Error exit from process
Test 100: tstb_ep_rusti_cu_s - script
Jump to output, comparison, summary or Overview of tests
Output:


Back to test
Comparison:
Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
Sections:

sad_specific_statistics
ep_dataset_statistics
ep_phasing_statistics

sad_specific_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
F_PRIME
    

  
ScatteringFactor(value = 0.29)
  
ScatteringFactor(value = -9.09)

    

  
ScatteringFactor(value = 0.29)
  
ScatteringFactor(value = -9.09)

    
OK
  
  

    
F_ELEM
    

  
Text(value = S)
  
Text(value = CU)

    

  
Text(value = S)
  
Text(value = CU)

    
OK
  
  

    
F_DOUBLEPRIME
    

  
ScatteringFactor(value = 0.45)
  
ScatteringFactor(value = 3.24)

    

  
ScatteringFactor(value = 0.45)
  
ScatteringFactor(value = 3.24)

    
OK
  

Back to comparisons
ep_dataset_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
MILLER_SIZE
    
Integer(value = 7898)
    
Integer(value = 7898)
    
OK
  

Back to comparisons
ep_phasing_statistics

  

    
Name
    
Previous version
    
This version
    
Status
  
  

    
LLG
    
SAD_LLG(value = -716.8)
    
SAD_LLG(value = -716.8)
    
OK
  
  

    
ATOMS_COUNT
    
Integer(value = 5)
    
Integer(value = 5)
    
OK
  
  

    
ATOMS
    
AtomSet(
  Atom CU(
    coords = ( 0.15015, 0.24921, 0.42657 ),
    occ = 1.254,
    uiso = -1.0000
    )
,
  Atom S(
    coords = ( 0.16006, 0.21788, 0.37610 ),
    occ = 1.384,
    uiso = 0.1244
    )
,
  Atom S(
    coords = ( 0.08091, 0.26629, 0.42175 ),
    occ = 1.142,
    uiso = 0.1433
    )
,
  Atom S(
    coords = ( 0.44874, 0.74941, 0.27430 ),
    occ = 0.603,
    uiso = 0.1466
    )
,
  Atom S(
    coords = ( 0.13427, 0.75164, -0.00233 ),
    occ = 0.621,
    uiso = 0.1679
    )

)
    
AtomSet(
  Atom CU(
    coords = ( 0.15020, 0.24920, 0.42660 ),
    occ = 1.250,
    uiso = -1.0000
    )
,
  Atom S(
    coords = ( 0.16010, 0.21790, 0.37610 ),
    occ = 1.380,
    uiso = 0.1244
    )
,
  Atom S(
    coords = ( 0.08090, 0.26630, 0.42180 ),
    occ = 1.140,
    uiso = 0.1434
    )
,
  Atom S(
    coords = ( 0.44870, 0.74940, 0.27430 ),
    occ = 0.600,
    uiso = 0.1467
    )
,
  Atom S(
    coords = ( 0.13430, 0.75160, -0.00230 ),
    occ = 0.620,
    uiso = 0.1679
    )

)
    
OK
  

Back to comparisons
Back to test
Summary:
--------------------------------------------------------------------------------
{*}: Previous version: Phaser-2.8.3 (svn 8466) (commits: 7488, SHA-1: 7f1950481... , branch: master)
{#}: This version:  Phaser-2.8.3 (commits: 7539, SHA-1: 219b54030... , branch: master)
--------------------------------------------------------------------------------
SUMMARY:
Tests: 7, failures: 0, unknowns: 0, disabled: 0 sections, 0 tests

Back to test
OK