Starting phenix.real_space_refine
on Fri Feb 14 11:04:41 2025 by dcliebschner
===============================================================================

Processing files:
-------------------------------------------------------------------------------

  Found model, /net/cci-nas-00/data/ceres_data/3j2p_5499/02_2025/3j2p_5499.cif
  Found real_map, /net/cci-nas-00/data/ceres_data/3j2p_5499/02_2025/3j2p_5499.map

Processing PHIL parameters:
-------------------------------------------------------------------------------

  Adding command-line PHIL:
  -------------------------
    refinement.macro_cycles=10
    scattering_table=electron
    resolution=3.6
    write_initial_geo_file=False

Final processed PHIL parameters:
-------------------------------------------------------------------------------
  data_manager {
    real_map_files = "/net/cci-nas-00/data/ceres_data/3j2p_5499/02_2025/3j2p_5499.map"
    default_real_map = "/net/cci-nas-00/data/ceres_data/3j2p_5499/02_2025/3j2p_5499.map"
    model {
      file = "/net/cci-nas-00/data/ceres_data/3j2p_5499/02_2025/3j2p_5499.cif"
    }
    default_model = "/net/cci-nas-00/data/ceres_data/3j2p_5499/02_2025/3j2p_5499.cif"
  }
  resolution = 3.6
  write_initial_geo_file = False
  refinement {
    macro_cycles = 10
  }
  qi {
    qm_restraints {
      package {
        program = *test
      }
    }
  }


Starting job
===============================================================================
-------------------------------------------------------------------------------
Citation:
*********
Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams
PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography.
Acta Cryst. D74:531-544.

Validating inputs
-------------------------------------------------------------------------------
Processing inputs
*****************
Set random seed
  Set to: 0
Set model cs if undefined
Decide on map wrapping
  Map wrapping is set to: False
Normalize map: mean=0, sd=1
  Input map: mean=   0.100 sd=   2.332
Set stop_for_unknowns flag
  Set to: True
Assert model is a single copy model
Assert all atoms have isotropic ADPs
Construct map_model_manager
Extract box with map and model
Check model and map are aligned
Set scattering table
  Set to: electron
  Number of scattering types: 5
    Type Number    sf(0)   Gaussians
     S      70      5.16       5
     C    5600      2.51       5
     N    1492      2.21       5
     O    1642      1.98       5
     H    1086      0.53       5
    sf(0) = scattering factor at diffraction angle 0.
Process input model

  Symmetric amino acids flipped. Time to flip 92 residue(s): 0.03s

  Monomer Library directory:
    "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5592/modules/chem_data/mon_lib"
  Total number of atoms: 9890
  Number of models: 1
  Model: ""
    Number of chains: 4
    Chain: "A"
      Number of atoms: 4276
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 495, 4276
          Classifications: {'peptide': 495}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 19, 'TRANS': 475}
    Chain: "B"
      Number of atoms: 627
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 72, 627
          Classifications: {'peptide': 72}
          Link IDs: {'PTRANS': 3, 'TRANS': 68}
    Chain: "E"
      Number of atoms: 28
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 2, 28
          Unusual residues: {'NAG': 2}
          Classifications: {'undetermined': 2}
          Link IDs: {None: 1}
          Unresolved non-hydrogen bonds: 2
          Unresolved non-hydrogen angles: 4
          Unresolved non-hydrogen dihedrals: 6
          Unresolved non-hydrogen chiralities: 2
    Chain: "A"
      Number of atoms: 14
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 1, 14
          Unusual residues: {'NAG': 1}
          Classifications: {'undetermined': 1}
          Unresolved non-hydrogen bonds: 1
          Unresolved non-hydrogen angles: 2
          Unresolved non-hydrogen dihedrals: 3
          Unresolved non-hydrogen chiralities: 1
  Restraints were copied for chains:
    C, D, F
  Time building chain proxies: 7.99, per 1000 atoms: 0.81
  Number of scatterers: 9890
  At special positions: 0
  Unit cell: (98.256, 146.832, 97.152, 90, 90, 90)
  Space group: P 1 (No. 1)
  Number of sites at special positions: 0
  Number of scattering types: 5
    Type Number    sf(0)
     S      70     16.00
     O    1642      8.00
     N    1492      7.00
     C    5600      6.00
     H    1086      1.00
    sf(0) = scattering factor at diffraction angle 0.

  Number of disulfides: simple=0, symmetry=0

  Automatic linking
    Parameters for automatic linking
      Linking & cutoffs
        Metal                : Auto  - 3.00
        Amino acid           : True  - 1.90
        Carbohydrate         : True  - 1.99
        Ligands              : True  - 1.99
        Small molecules      : False - 1.98
        Amino acid - RNA/DNA : False
      
  Number of custom bonds: simple=0, symmetry=0
  Links applied
    BETA1-4
      " NAG E   1 " - " NAG E   2 "
      " NAG F   1 " - " NAG F   2 "
    NAG-ASN
      " NAG A 501 " - " ASN A  67 "
      " NAG C 501 " - " ASN C  67 "
      " NAG E   1 " - " ASN A 153 "
      " NAG F   1 " - " ASN C 153 "
  Time building additional restraints: 3.02
  Conformation dependent library (CDL) restraints added in 1.2 seconds
  

  2252 Ramachandran restraints generated.
    1126 Oldfield, 0 Emsley, 1126 emsley8k and 0 Phi/Psi/2.
  Adding C-beta torsion restraints...
  Number of C-beta restraints generated:  2040

  Finding SS restraints...
    Secondary structure from input PDB file:
      28 helices and 14 sheets defined
      28.4% alpha, 16.9% beta
      0 base pairs and 0 stacking pairs defined.
    Time for finding SS restraints: 0.90
  Creating SS restraints...
    Processing helix  chain 'A' and resid 82 through 87
    Processing helix  chain 'A' and resid 100 through 105
      removed outlier: 3.597A  pdb=" N   GLY A 104 " --> pdb=" O   GLY A 100 " (cutoff:3.500A)
      removed outlier: 3.654A  pdb=" N   CYS A 105 " --> pdb=" O   TRP A 101 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'A' and resid 100 through 105'
    Processing helix  chain 'A' and resid 210 through 214
    Processing helix  chain 'A' and resid 256 through 264
    Processing helix  chain 'A' and resid 396 through 416
      removed outlier: 3.572A  pdb=" N   GLN A 400 " --> pdb=" O   SER A 396 " (cutoff:3.500A)
      removed outlier: 3.597A  pdb=" N   LEU A 415 " --> pdb=" O   ARG A 411 " (cutoff:3.500A)
    Processing helix  chain 'A' and resid 417 through 423
    Processing helix  chain 'A' and resid 428 through 443
      removed outlier: 4.240A  pdb=" N   VAL A 439 " --> pdb=" O   ALA A 435 " (cutoff:3.500A)
    Processing helix  chain 'A' and resid 444 through 447
    Processing helix  chain 'A' and resid 452 through 469
    Processing helix  chain 'A' and resid 473 through 483
      removed outlier: 4.213A  pdb=" N   VAL A 477 " --> pdb=" O   THR A 473 " (cutoff:3.500A)
    Processing helix  chain 'A' and resid 484 through 493
    Processing helix  chain 'B' and resid 22 through 39
      removed outlier: 4.297A  pdb=" N   ALA B  29 " --> pdb=" O   ALA B  25 " (cutoff:3.500A)
    Processing helix  chain 'B' and resid 39 through 53
      removed outlier: 3.667A  pdb=" N   THR B  43 " --> pdb=" O   HIS B  39 " (cutoff:3.500A)
    Processing helix  chain 'B' and resid 57 through 71
    Processing helix  chain 'C' and resid 82 through 87
    Processing helix  chain 'C' and resid 100 through 105
      removed outlier: 3.601A  pdb=" N   GLY C 104 " --> pdb=" O   GLY C 100 " (cutoff:3.500A)
      removed outlier: 3.654A  pdb=" N   CYS C 105 " --> pdb=" O   TRP C 101 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'C' and resid 100 through 105'
    Processing helix  chain 'C' and resid 210 through 214
    Processing helix  chain 'C' and resid 256 through 264
    Processing helix  chain 'C' and resid 396 through 416
      removed outlier: 3.573A  pdb=" N   GLN C 400 " --> pdb=" O   SER C 396 " (cutoff:3.500A)
      removed outlier: 3.603A  pdb=" N   LEU C 415 " --> pdb=" O   ARG C 411 " (cutoff:3.500A)
    Processing helix  chain 'C' and resid 417 through 423
    Processing helix  chain 'C' and resid 428 through 443
      removed outlier: 4.243A  pdb=" N   VAL C 439 " --> pdb=" O   ALA C 435 " (cutoff:3.500A)
    Processing helix  chain 'C' and resid 444 through 447
    Processing helix  chain 'C' and resid 452 through 469
    Processing helix  chain 'C' and resid 473 through 483
      removed outlier: 4.213A  pdb=" N   VAL C 477 " --> pdb=" O   THR C 473 " (cutoff:3.500A)
    Processing helix  chain 'C' and resid 484 through 493
    Processing helix  chain 'D' and resid 22 through 39
      removed outlier: 4.300A  pdb=" N   ALA D  29 " --> pdb=" O   ALA D  25 " (cutoff:3.500A)
    Processing helix  chain 'D' and resid 39 through 53
      removed outlier: 3.667A  pdb=" N   THR D  43 " --> pdb=" O   HIS D  39 " (cutoff:3.500A)
    Processing helix  chain 'D' and resid 57 through 71
    Processing sheet with id=A, first strand: chain 'A' and resid 11 through 13
      removed outlier: 5.974A  pdb=" N   VAL A  12 " --> pdb=" O   MET A  34 " (cutoff:3.500A)
      removed outlier: 4.823A  pdb=" N   THR A 138 " --> pdb=" O   ILE A  46 " (cutoff:3.500A)
    Processing sheet with id=B, first strand: chain 'A' and resid 20 through 25
    Processing sheet with id=C, first strand: chain 'A' and resid 63 through 72
      removed outlier: 4.887A  pdb=" N   LEU A  65 " --> pdb=" O   THR A 120 " (cutoff:3.500A)
      removed outlier: 6.476A  pdb=" N   THR A 120 " --> pdb=" O   LEU A  65 " (cutoff:3.500A)
      removed outlier: 5.318A  pdb=" N   ASN A  67 " --> pdb=" O   MET A 118 " (cutoff:3.500A)
      removed outlier: 6.072A  pdb=" N   MET A 118 " --> pdb=" O   ASN A  67 " (cutoff:3.500A)
    Processing sheet with id=D, first strand: chain 'A' and resid 196 through 199
    Processing sheet with id=E, first strand: chain 'A' and resid 239 through 241
    Processing sheet with id=F, first strand: chain 'A' and resid 305 through 308
      removed outlier: 3.781A  pdb=" N   LYS A 305 " --> pdb=" O   GLU A 327 " (cutoff:3.500A)
    Processing sheet with id=G, first strand: chain 'A' and resid 337 through 340
    Processing sheet with id=H, first strand: chain 'C' and resid 11 through 13
      removed outlier: 5.974A  pdb=" N   VAL C  12 " --> pdb=" O   MET C  34 " (cutoff:3.500A)
      removed outlier: 4.815A  pdb=" N   THR C 138 " --> pdb=" O   ILE C  46 " (cutoff:3.500A)
    Processing sheet with id=I, first strand: chain 'C' and resid 20 through 25
    Processing sheet with id=J, first strand: chain 'C' and resid 63 through 72
      removed outlier: 4.887A  pdb=" N   LEU C  65 " --> pdb=" O   THR C 120 " (cutoff:3.500A)
      removed outlier: 6.477A  pdb=" N   THR C 120 " --> pdb=" O   LEU C  65 " (cutoff:3.500A)
      removed outlier: 5.319A  pdb=" N   ASN C  67 " --> pdb=" O   MET C 118 " (cutoff:3.500A)
      removed outlier: 6.065A  pdb=" N   MET C 118 " --> pdb=" O   ASN C  67 " (cutoff:3.500A)
    Processing sheet with id=K, first strand: chain 'C' and resid 196 through 200
    Processing sheet with id=L, first strand: chain 'C' and resid 239 through 241
    Processing sheet with id=M, first strand: chain 'C' and resid 305 through 308
      removed outlier: 3.776A  pdb=" N   LYS C 305 " --> pdb=" O   GLU C 327 " (cutoff:3.500A)
    Processing sheet with id=N, first strand: chain 'C' and resid 337 through 340

    320 hydrogen bonds defined for protein.
    843 hydrogen bond angles defined for protein.
    Restraints generated for nucleic acids:
      0 hydrogen bonds
      0 hydrogen bond angles
      0 basepair planarities
      0 basepair parallelities
      0 stacking parallelities
  Total time for adding SS restraints: 2.82

  Time building geometry restraints manager: 3.37 seconds

  NOTE: a complete listing of the restraints can be obtained by requesting
        output of .geo file.

  Histogram of bond lengths:
        0.96 -     1.14: 1086
        1.14 -     1.32: 1449
        1.32 -     1.50: 3769
        1.50 -     1.68: 3652
        1.68 -     1.86: 116
  Bond restraints: 10072
  Sorted by residual:
  bond pdb=" N   LEU A 283 "
       pdb=" H   LEU A 283 "
    ideal  model  delta    sigma   weight residual
    0.860  1.030 -0.170 2.00e-02 2.50e+03 7.20e+01
  bond pdb=" N   LEU C 283 "
       pdb=" H   LEU C 283 "
    ideal  model  delta    sigma   weight residual
    0.860  1.029 -0.169 2.00e-02 2.50e+03 7.16e+01
  bond pdb=" N   THR B  34 "
       pdb=" H   THR B  34 "
    ideal  model  delta    sigma   weight residual
    0.860  1.027 -0.167 2.00e-02 2.50e+03 6.99e+01
  bond pdb=" N   THR D  34 "
       pdb=" H   THR D  34 "
    ideal  model  delta    sigma   weight residual
    0.860  1.027 -0.167 2.00e-02 2.50e+03 6.98e+01
  bond pdb=" N   THR A 182 "
       pdb=" H   THR A 182 "
    ideal  model  delta    sigma   weight residual
    0.860  1.026 -0.166 2.00e-02 2.50e+03 6.92e+01
  ... (remaining 10067 not shown)

  Histogram of bond angle deviations from ideal:
        0.00 -     2.79: 11156
        2.79 -     5.59: 2027
        5.59 -     8.38: 961
        8.38 -    11.18: 149
       11.18 -    13.97: 43
  Bond angle restraints: 14336
  Sorted by residual:
  angle pdb=" C   LEU C 221 "
        pdb=" N   PRO C 222 "
        pdb=" CA  PRO C 222 "
      ideal   model   delta    sigma   weight residual
     119.84  109.97    9.87 1.25e+00 6.40e-01 6.24e+01
  angle pdb=" C   LEU A 221 "
        pdb=" N   PRO A 222 "
        pdb=" CA  PRO A 222 "
      ideal   model   delta    sigma   weight residual
     119.84  109.98    9.86 1.25e+00 6.40e-01 6.22e+01
  angle pdb=" C   GLU C  79 "
        pdb=" N   PRO C  80 "
        pdb=" CA  PRO C  80 "
      ideal   model   delta    sigma   weight residual
     119.84  129.28   -9.44 1.25e+00 6.40e-01 5.71e+01
  angle pdb=" C   THR C 142 "
        pdb=" N   PRO C 143 "
        pdb=" CA  PRO C 143 "
      ideal   model   delta    sigma   weight residual
     119.84  129.24   -9.40 1.25e+00 6.40e-01 5.65e+01
  angle pdb=" C   THR A 142 "
        pdb=" N   PRO A 143 "
        pdb=" CA  PRO A 143 "
      ideal   model   delta    sigma   weight residual
     119.84  129.15   -9.31 1.25e+00 6.40e-01 5.55e+01
  ... (remaining 14331 not shown)

  Histogram of dihedral angle deviations from ideal:
        0.00 -    16.18: 5687
       16.18 -    32.35: 420
       32.35 -    48.53: 199
       48.53 -    64.70: 132
       64.70 -    80.88: 20
  Dihedral angle restraints: 6458
    sinusoidal: 3270
      harmonic: 3188
  Sorted by residual:
  dihedral pdb=" C   GLU A 195 "
           pdb=" N   GLU A 195 "
           pdb=" CA  GLU A 195 "
           pdb=" CB  GLU A 195 "
      ideal   model   delta  harmonic     sigma   weight residual
    -122.60 -113.79   -8.81     0      2.50e+00 1.60e-01 1.24e+01
  dihedral pdb=" C   GLU C 195 "
           pdb=" N   GLU C 195 "
           pdb=" CA  GLU C 195 "
           pdb=" CB  GLU C 195 "
      ideal   model   delta  harmonic     sigma   weight residual
    -122.60 -113.80   -8.80     0      2.50e+00 1.60e-01 1.24e+01
  dihedral pdb=" C   ASN A 124 "
           pdb=" N   ASN A 124 "
           pdb=" CA  ASN A 124 "
           pdb=" CB  ASN A 124 "
      ideal   model   delta  harmonic     sigma   weight residual
    -122.60 -114.02   -8.58     0      2.50e+00 1.60e-01 1.18e+01
  ... (remaining 6455 not shown)

  Histogram of chiral volume deviations from ideal:
       0.000 -    0.083: 822
       0.083 -    0.165: 362
       0.165 -    0.248: 158
       0.248 -    0.330: 52
       0.330 -    0.412: 18
  Chirality restraints: 1412
  Sorted by residual:
  chirality pdb=" CA  LEU A 278 "
            pdb=" N   LEU A 278 "
            pdb=" C   LEU A 278 "
            pdb=" CB  LEU A 278 "
    both_signs  ideal   model   delta    sigma   weight residual
      False      2.51    2.10    0.41 2.00e-01 2.50e+01 4.25e+00
  chirality pdb=" CA  LEU C 278 "
            pdb=" N   LEU C 278 "
            pdb=" C   LEU C 278 "
            pdb=" CB  LEU C 278 "
    both_signs  ideal   model   delta    sigma   weight residual
      False      2.51    2.10    0.41 2.00e-01 2.50e+01 4.17e+00
  chirality pdb=" CA  TRP A 391 "
            pdb=" N   TRP A 391 "
            pdb=" C   TRP A 391 "
            pdb=" CB  TRP A 391 "
    both_signs  ideal   model   delta    sigma   weight residual
      False      2.51    2.13    0.38 2.00e-01 2.50e+01 3.61e+00
  ... (remaining 1409 not shown)

  Planarity restraints: 2610
  Sorted by residual:
                                 delta    sigma   weight rms_deltas residual
  plane pdb=" C2  NAG E   1 "    0.366 2.00e-02 2.50e+03   3.12e-01 1.22e+03
        pdb=" C7  NAG E   1 "   -0.092 2.00e-02 2.50e+03
        pdb=" C8  NAG E   1 "    0.118 2.00e-02 2.50e+03
        pdb=" N2  NAG E   1 "   -0.553 2.00e-02 2.50e+03
        pdb=" O7  NAG E   1 "    0.161 2.00e-02 2.50e+03
                                 delta    sigma   weight rms_deltas residual
  plane pdb=" C2  NAG F   1 "    0.366 2.00e-02 2.50e+03   3.12e-01 1.22e+03
        pdb=" C7  NAG F   1 "   -0.093 2.00e-02 2.50e+03
        pdb=" C8  NAG F   1 "    0.118 2.00e-02 2.50e+03
        pdb=" N2  NAG F   1 "   -0.552 2.00e-02 2.50e+03
        pdb=" O7  NAG F   1 "    0.161 2.00e-02 2.50e+03
                                 delta    sigma   weight rms_deltas residual
  plane pdb=" C2  NAG E   2 "   -0.367 2.00e-02 2.50e+03   3.10e-01 1.20e+03
        pdb=" C7  NAG E   2 "    0.097 2.00e-02 2.50e+03
        pdb=" C8  NAG E   2 "   -0.163 2.00e-02 2.50e+03
        pdb=" N2  NAG E   2 "    0.545 2.00e-02 2.50e+03
        pdb=" O7  NAG E   2 "   -0.113 2.00e-02 2.50e+03
  ... (remaining 2607 not shown)

  Histogram of nonbonded interaction distances:
        1.20 -     1.88: 74
        1.88 -     2.56: 2739
        2.56 -     3.24: 17314
        3.24 -     3.92: 23022
        3.92 -     4.60: 32760
  Nonbonded interactions: 75909
  Sorted by model distance:
  nonbonded pdb=" H   GLU A 195 "
            pdb=" H   MET A 196 "
     model   vdw
     1.198 2.100
  nonbonded pdb=" H   GLU C 195 "
            pdb=" H   MET C 196 "
     model   vdw
     1.199 2.100
  nonbonded pdb=" H   SER B  22 "
            pdb=" H   GLU B  23 "
     model   vdw
     1.267 2.100
  nonbonded pdb=" H   SER D  22 "
            pdb=" H   GLU D  23 "
     model   vdw
     1.267 2.100
  nonbonded pdb=" H   ALA C 447 "
            pdb=" H   PHE C 448 "
     model   vdw
     1.279 2.100
  ... (remaining 75904 not shown)

  NOTE: a complete listing of the restraints can be obtained by requesting
        output of .geo file.
Find NCS groups from input model
Time spend for trying shortcut: 0.05
Found NCS groups:
ncs_group {
  reference = chain 'A'
  selection = chain 'C'
}
ncs_group {
  reference = chain 'B'
  selection = chain 'D'
}
ncs_group {
  reference = chain 'E'
  selection = chain 'F'
}

Set up NCS constraints
  No NCS constraints will be used in refinement.
Set refine NCS operators
Adjust number of macro_cycles
  Number of macro_cycles: 10
Reset NCS operators
Extract rigid body selections
Check and reset occupancies
  Occupancies: min=0.00 max=1.00 mean=0.97
Load rotamer database and sin/cos tables
Set ADP refinement strategy
  ADPs will be refined as group one per residue
Make a string to write initial .geo file
Internal consistency checks
Time:
  Set random seed:                         0.010
  Set model cs if undefined:               0.000
  Decide on map wrapping:                  0.000
  Normalize map: mean=0, sd=1:             0.140
  Set stop_for_unknowns flag:              0.000
  Assert model is a single copy model:     0.000
  Assert all atoms have isotropic ADPs:    0.000
  Construct map_model_manager:             0.240
  Extract box with map and model:          0.330
  Check model and map are aligned:         0.060
  Set scattering table:                    0.090
  Process input model:                     27.000
  Find NCS groups from input model:        0.170
  Set up NCS constraints:                  0.030
  Set refine NCS operators:                0.000
  Adjust number of macro_cycles:           0.000
  Reset NCS operators:                     0.000
  Extract rigid body selections:           0.000
  Check and reset occupancies:             0.000
  Load rotamer database and sin/cos tables:2.740
  Set ADP refinement strategy:             0.000
  Make a string to write initial .geo file:0.000
  Internal consistency checks:             0.000
  Total:   30.810
-------------------------------------------------------------------------------
Set refinement monitor
**********************
-------------------------------------------------------------------------------
Setup refinement engine
***********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7984
moved from start:          0.0000

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.010   0.059   8986  Z= 0.617
  Angle     :  1.924  13.972  12164  Z= 1.134
  Chirality :  0.118   0.412   1412
  Planarity :  0.021   0.312   1520
  Dihedral  : 17.504  80.876   3370
  Min Nonbonded Distance : 2.155

Molprobity Statistics.
  All-atom Clashscore : 110.32
  Ramachandran Plot:
    Outliers : 24.07 %
    Allowed  : 29.66 %
    Favored  : 46.27 %
  Rotamer:
    Outliers : 20.13 %
    Allowed  : 15.93 %
    Favored  : 63.94 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole: -7.75 (0.15), residues: 1126
  helix: -5.20 (0.09), residues: 294
  sheet: -3.78 (0.32), residues: 216
  loop : -5.90 (0.15), residues: 616

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.074   0.014   TRP C 220 
 HIS   0.005   0.001   HIS C  27 
 PHE   0.063   0.011   PHE A 119 
 TYR   0.060   0.013   TYR C 326 
 ARG   0.007   0.001   ARG B  31 

*********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************

-------------------------------------------------------------------------------
Update Rama plot phi/psi targets (oldfield only)
************************************************

  2252 Ramachandran restraints generated.
    1126 Oldfield, 0 Emsley, 1126 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  2252 Ramachandran restraints generated.
    1126 Oldfield, 0 Emsley, 1126 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Residue ILE    4 is missing expected H atoms. Skipping.
Residue ILE    6 is missing expected H atoms. Skipping.
Residue SER    7 is missing expected H atoms. Skipping.
Residue VAL   12 is missing expected H atoms. Skipping.
Residue VAL   15 is missing expected H atoms. Skipping.
Residue SER   16 is missing expected H atoms. Skipping.
Residue SER   19 is missing expected H atoms. Skipping.
Residue VAL   21 is missing expected H atoms. Skipping.
Residue ILE   23 is missing expected H atoms. Skipping.
Residue VAL   24 is missing expected H atoms. Skipping.
Residue LEU   25 is missing expected H atoms. Skipping.
Residue SER   29 is missing expected H atoms. Skipping.
Residue VAL   31 is missing expected H atoms. Skipping.
Residue THR   32 is missing expected H atoms. Skipping.
Residue THR   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   35 is missing expected H atoms. Skipping.
Residue LYS   36 is missing expected H atoms. Skipping.
Residue LYS   38 is missing expected H atoms. Skipping.
Residue THR   40 is missing expected H atoms. Skipping.
Residue LEU   41 is missing expected H atoms. Skipping.
Residue LEU   45 is missing expected H atoms. Skipping.
Residue ILE   46 is missing expected H atoms. Skipping.
Residue THR   48 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue LYS   51 is missing expected H atoms. Skipping.
Residue ALA   54 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue LEU   56 is missing expected H atoms. Skipping.
Residue LYS   58 is missing expected H atoms. Skipping.
Residue TYR   59 is missing expected H atoms. Skipping.
Residue ILE   61 is missing expected H atoms. Skipping.
Residue ALA   63 is missing expected H atoms. Skipping.
Residue LYS   64 is missing expected H atoms. Skipping.
Residue LEU   65 is missing expected H atoms. Skipping.
Residue THR   66 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue THR   69 is missing expected H atoms. Skipping.
Residue THR   70 is missing expected H atoms. Skipping.
Residue SER   72 is missing expected H atoms. Skipping.
Residue THR   76 is missing expected H atoms. Skipping.
Residue SER   81 is missing expected H atoms. Skipping.
Residue LEU   82 is missing expected H atoms. Skipping.
Residue LYS   88 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue LYS   93 is missing expected H atoms. Skipping.
Residue SER   95 is missing expected H atoms. Skipping.
Residue MET   96 is missing expected H atoms. Skipping.
Residue VAL   97 is missing expected H atoms. Skipping.
Residue LEU  107 is missing expected H atoms. Skipping.
Residue LYS  110 is missing expected H atoms. Skipping.
Residue ILE  113 is missing expected H atoms. Skipping.
Residue VAL  114 is missing expected H atoms. Skipping.
Residue THR  115 is missing expected H atoms. Skipping.
Residue ALA  117 is missing expected H atoms. Skipping.
Residue MET  118 is missing expected H atoms. Skipping.
Residue THR  120 is missing expected H atoms. Skipping.
Residue LYS  122 is missing expected H atoms. Skipping.
Residue LYS  123 is missing expected H atoms. Skipping.
Residue MET  125 is missing expected H atoms. Skipping.
Residue LYS  126 is missing expected H atoms. Skipping.
Residue LYS  128 is missing expected H atoms. Skipping.
Residue VAL  129 is missing expected H atoms. Skipping.
Residue VAL  130 is missing expected H atoms. Skipping.
Residue LEU  135 is missing expected H atoms. Skipping.
Residue TYR  137 is missing expected H atoms. Skipping.
Residue THR  138 is missing expected H atoms. Skipping.
Residue ILE  139 is missing expected H atoms. Skipping.
Residue VAL  140 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue THR  142 is missing expected H atoms. Skipping.
Residue SER  145 is missing expected H atoms. Skipping.
Residue ALA  150 is missing expected H atoms. Skipping.
Residue VAL  151 is missing expected H atoms. Skipping.
Residue THR  155 is missing expected H atoms. Skipping.
Residue LYS  157 is missing expected H atoms. Skipping.
Residue LYS  160 is missing expected H atoms. Skipping.
Residue ILE  162 is missing expected H atoms. Skipping.
Residue LYS  163 is missing expected H atoms. Skipping.
Residue ILE  164 is missing expected H atoms. Skipping.
Residue THR  165 is missing expected H atoms. Skipping.
Residue SER  168 is missing expected H atoms. Skipping.
Residue SER  169 is missing expected H atoms. Skipping.
Residue ILE  170 is missing expected H atoms. Skipping.
Residue THR  171 is missing expected H atoms. Skipping.
Residue ALA  173 is missing expected H atoms. Skipping.
Residue LEU  175 is missing expected H atoms. Skipping.
Residue THR  176 is missing expected H atoms. Skipping.
Residue TYR  178 is missing expected H atoms. Skipping.
Residue THR  180 is missing expected H atoms. Skipping.
Residue VAL  181 is missing expected H atoms. Skipping.
Residue THR  182 is missing expected H atoms. Skipping.
Residue MET  183 is missing expected H atoms. Skipping.
Residue SER  186 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue LEU  191 is missing expected H atoms. Skipping.
Residue MET  196 is missing expected H atoms. Skipping.
Residue VAL  197 is missing expected H atoms. Skipping.
Residue LEU  198 is missing expected H atoms. Skipping.
Residue LEU  199 is missing expected H atoms. Skipping.
Residue MET  201 is missing expected H atoms. Skipping.
Residue LYS  204 is missing expected H atoms. Skipping.
Residue ALA  205 is missing expected H atoms. Skipping.
Residue LEU  207 is missing expected H atoms. Skipping.
Residue VAL  208 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue LEU  216 is missing expected H atoms. Skipping.
Residue LEU  218 is missing expected H atoms. Skipping.
Residue LEU  221 is missing expected H atoms. Skipping.
Residue ALA  224 is missing expected H atoms. Skipping.
Residue THR  226 is missing expected H atoms. Skipping.
Residue SER  229 is missing expected H atoms. Skipping.
Residue ILE  232 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue THR  236 is missing expected H atoms. Skipping.
Residue LEU  237 is missing expected H atoms. Skipping.
Residue VAL  238 is missing expected H atoms. Skipping.
Residue THR  239 is missing expected H atoms. Skipping.
Residue LYS  241 is missing expected H atoms. Skipping.
Residue ALA  245 is missing expected H atoms. Skipping.
Residue LYS  246 is missing expected H atoms. Skipping.
Residue LYS  247 is missing expected H atoms. Skipping.
Residue VAL  250 is missing expected H atoms. Skipping.
Residue VAL  251 is missing expected H atoms. Skipping.
Residue VAL  252 is missing expected H atoms. Skipping.
Residue LEU  253 is missing expected H atoms. Skipping.
Residue SER  255 is missing expected H atoms. Skipping.
Residue ALA  259 is missing expected H atoms. Skipping.
Residue MET  260 is missing expected H atoms. Skipping.
Residue THR  262 is missing expected H atoms. Skipping.
Residue ALA  263 is missing expected H atoms. Skipping.
Residue LEU  264 is missing expected H atoms. Skipping.
Residue THR  265 is missing expected H atoms. Skipping.
Residue ALA  267 is missing expected H atoms. Skipping.
Residue THR  268 is missing expected H atoms. Skipping.
Residue ILE  270 is missing expected H atoms. Skipping.
Residue MET  272 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue SER  274 is missing expected H atoms. Skipping.
Residue LEU  277 is missing expected H atoms. Skipping.
Residue LEU  278 is missing expected H atoms. Skipping.
Residue THR  280 is missing expected H atoms. Skipping.
Residue LEU  283 is missing expected H atoms. Skipping.
Residue LYS  284 is missing expected H atoms. Skipping.
Residue LEU  287 is missing expected H atoms. Skipping.
Residue MET  289 is missing expected H atoms. Skipping.
Residue LYS  291 is missing expected H atoms. Skipping.
Residue LEU  292 is missing expected H atoms. Skipping.
Residue LEU  294 is missing expected H atoms. Skipping.
Residue LYS  295 is missing expected H atoms. Skipping.
Residue MET  297 is missing expected H atoms. Skipping.
Residue SER  298 is missing expected H atoms. Skipping.
Residue TYR  299 is missing expected H atoms. Skipping.
Residue SER  300 is missing expected H atoms. Skipping.
Residue MET  301 is missing expected H atoms. Skipping.
Residue THR  303 is missing expected H atoms. Skipping.
Residue LYS  305 is missing expected H atoms. Skipping.
Residue LYS  307 is missing expected H atoms. Skipping.
Residue VAL  308 is missing expected H atoms. Skipping.
Residue VAL  309 is missing expected H atoms. Skipping.
Residue LYS  310 is missing expected H atoms. Skipping.
Residue ILE  312 is missing expected H atoms. Skipping.
Residue ALA  313 is missing expected H atoms. Skipping.
Residue THR  315 is missing expected H atoms. Skipping.
Residue THR  319 is missing expected H atoms. Skipping.
Residue ILE  320 is missing expected H atoms. Skipping.
Residue VAL  321 is missing expected H atoms. Skipping.
Residue ILE  322 is missing expected H atoms. Skipping.
Residue VAL  324 is missing expected H atoms. Skipping.
Residue TYR  326 is missing expected H atoms. Skipping.
Residue SER  331 is missing expected H atoms. Skipping.
Residue LYS  334 is missing expected H atoms. Skipping.
Residue ILE  335 is missing expected H atoms. Skipping.
Residue ILE  339 is missing expected H atoms. Skipping.
Residue MET  340 is missing expected H atoms. Skipping.
Residue LEU  342 is missing expected H atoms. Skipping.
Residue LYS  344 is missing expected H atoms. Skipping.
Residue VAL  347 is missing expected H atoms. Skipping.
Residue LEU  348 is missing expected H atoms. Skipping.
Residue LEU  351 is missing expected H atoms. Skipping.
Residue ILE  352 is missing expected H atoms. Skipping.
Residue THR  353 is missing expected H atoms. Skipping.
Residue VAL  354 is missing expected H atoms. Skipping.
Residue ILE  357 is missing expected H atoms. Skipping.
Residue VAL  358 is missing expected H atoms. Skipping.
Residue THR  359 is missing expected H atoms. Skipping.
Residue LYS  361 is missing expected H atoms. Skipping.
Residue SER  363 is missing expected H atoms. Skipping.
Residue VAL  365 is missing expected H atoms. Skipping.
Residue ILE  367 is missing expected H atoms. Skipping.
Residue ALA  369 is missing expected H atoms. Skipping.
Residue SER  376 is missing expected H atoms. Skipping.
Residue TYR  377 is missing expected H atoms. Skipping.
Residue ILE  378 is missing expected H atoms. Skipping.
Residue ILE  379 is missing expected H atoms. Skipping.
Residue ILE  380 is missing expected H atoms. Skipping.
Residue VAL  382 is missing expected H atoms. Skipping.
Residue LEU  387 is missing expected H atoms. Skipping.
Residue LYS  388 is missing expected H atoms. Skipping.
Residue LEU  389 is missing expected H atoms. Skipping.
Residue LYS  393 is missing expected H atoms. Skipping.
Residue LYS  394 is missing expected H atoms. Skipping.
Residue SER  396 is missing expected H atoms. Skipping.
Residue SER  397 is missing expected H atoms. Skipping.
Residue ILE  398 is missing expected H atoms. Skipping.
Residue MET  401 is missing expected H atoms. Skipping.
Residue ILE  402 is missing expected H atoms. Skipping.
Residue THR  404 is missing expected H atoms. Skipping.
Residue THR  405 is missing expected H atoms. Skipping.
Residue MET  406 is missing expected H atoms. Skipping.
Residue ALA  409 is missing expected H atoms. Skipping.
Residue LYS  410 is missing expected H atoms. Skipping.
Residue MET  412 is missing expected H atoms. Skipping.
Residue ALA  413 is missing expected H atoms. Skipping.
Residue ILE  414 is missing expected H atoms. Skipping.
Residue LEU  415 is missing expected H atoms. Skipping.
Residue THR  418 is missing expected H atoms. Skipping.
Residue ALA  419 is missing expected H atoms. Skipping.
Residue SER  424 is missing expected H atoms. Skipping.
Residue LEU  425 is missing expected H atoms. Skipping.
Residue VAL  428 is missing expected H atoms. Skipping.
Residue THR  430 is missing expected H atoms. Skipping.
Residue SER  431 is missing expected H atoms. Skipping.
Residue ILE  432 is missing expected H atoms. Skipping.
Residue LYS  434 is missing expected H atoms. Skipping.
Residue ALA  435 is missing expected H atoms. Skipping.
Residue LEU  436 is missing expected H atoms. Skipping.
Residue VAL  439 is missing expected H atoms. Skipping.
Residue ALA  442 is missing expected H atoms. Skipping.
Residue ILE  443 is missing expected H atoms. Skipping.
Residue TYR  444 is missing expected H atoms. Skipping.
Residue ALA  446 is missing expected H atoms. Skipping.
Residue ALA  447 is missing expected H atoms. Skipping.
Residue SER  449 is missing expected H atoms. Skipping.
Residue VAL  451 is missing expected H atoms. Skipping.
Residue SER  452 is missing expected H atoms. Skipping.
Residue ILE  454 is missing expected H atoms. Skipping.
Residue MET  455 is missing expected H atoms. Skipping.
Residue LYS  456 is missing expected H atoms. Skipping.
Residue ILE  457 is missing expected H atoms. Skipping.
Residue LEU  458 is missing expected H atoms. Skipping.
Residue ILE  459 is missing expected H atoms. Skipping.
Residue VAL  461 is missing expected H atoms. Skipping.
Residue ILE  462 is missing expected H atoms. Skipping.
Residue ILE  463 is missing expected H atoms. Skipping.
Residue THR  464 is missing expected H atoms. Skipping.
Residue ILE  466 is missing expected H atoms. Skipping.
Residue MET  468 is missing expected H atoms. Skipping.
Residue SER  470 is missing expected H atoms. Skipping.
Residue SER  472 is missing expected H atoms. Skipping.
Residue THR  473 is missing expected H atoms. Skipping.
Residue SER  474 is missing expected H atoms. Skipping.
Residue LEU  475 is missing expected H atoms. Skipping.
Residue SER  476 is missing expected H atoms. Skipping.
Residue VAL  477 is missing expected H atoms. Skipping.
Residue SER  478 is missing expected H atoms. Skipping.
Residue LEU  479 is missing expected H atoms. Skipping.
Residue VAL  480 is missing expected H atoms. Skipping.
Residue LEU  481 is missing expected H atoms. Skipping.
Residue VAL  482 is missing expected H atoms. Skipping.
Residue VAL  484 is missing expected H atoms. Skipping.
Residue VAL  485 is missing expected H atoms. Skipping.
Residue THR  486 is missing expected H atoms. Skipping.
Residue LEU  487 is missing expected H atoms. Skipping.
Residue TYR  488 is missing expected H atoms. Skipping.
Residue LEU  489 is missing expected H atoms. Skipping.
Residue VAL  491 is missing expected H atoms. Skipping.
Residue MET  492 is missing expected H atoms. Skipping.
Residue VAL  493 is missing expected H atoms. Skipping.
Residue VAL    2 is missing expected H atoms. Skipping.
Residue ALA    3 is missing expected H atoms. Skipping.
Residue LEU    4 is missing expected H atoms. Skipping.
Residue VAL    5 is missing expected H atoms. Skipping.
Residue VAL    8 is missing expected H atoms. Skipping.
Residue MET   10 is missing expected H atoms. Skipping.
Residue LEU   12 is missing expected H atoms. Skipping.
Residue THR   14 is missing expected H atoms. Skipping.
Residue ALA   15 is missing expected H atoms. Skipping.
Residue THR   16 is missing expected H atoms. Skipping.
Residue THR   18 is missing expected H atoms. Skipping.
Residue MET   20 is missing expected H atoms. Skipping.
Residue SER   21 is missing expected H atoms. Skipping.
Residue SER   22 is missing expected H atoms. Skipping.
Residue ALA   25 is missing expected H atoms. Skipping.
Residue LYS   27 is missing expected H atoms. Skipping.
Residue ALA   29 is missing expected H atoms. Skipping.
Residue ILE   32 is missing expected H atoms. Skipping.
Residue THR   34 is missing expected H atoms. Skipping.
Residue ILE   36 is missing expected H atoms. Skipping.
Residue LEU   37 is missing expected H atoms. Skipping.
Residue THR   43 is missing expected H atoms. Skipping.
Residue ILE   44 is missing expected H atoms. Skipping.
Residue MET   45 is missing expected H atoms. Skipping.
Residue ALA   46 is missing expected H atoms. Skipping.
Residue ALA   47 is missing expected H atoms. Skipping.
Residue ILE   48 is missing expected H atoms. Skipping.
Residue LEU   49 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue TYR   51 is missing expected H atoms. Skipping.
Residue THR   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue THR   56 is missing expected H atoms. Skipping.
Residue ALA   61 is missing expected H atoms. Skipping.
Residue LEU   62 is missing expected H atoms. Skipping.
Residue ILE   63 is missing expected H atoms. Skipping.
Residue ILE   65 is missing expected H atoms. Skipping.
Residue LEU   66 is missing expected H atoms. Skipping.
Residue LEU   67 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue ALA   69 is missing expected H atoms. Skipping.
Residue VAL   70 is missing expected H atoms. Skipping.
Residue ALA   71 is missing expected H atoms. Skipping.
Residue ILE    4 is missing expected H atoms. Skipping.
Residue ILE    6 is missing expected H atoms. Skipping.
Residue SER    7 is missing expected H atoms. Skipping.
Residue VAL   12 is missing expected H atoms. Skipping.
Residue VAL   15 is missing expected H atoms. Skipping.
Residue SER   16 is missing expected H atoms. Skipping.
Residue SER   19 is missing expected H atoms. Skipping.
Residue VAL   21 is missing expected H atoms. Skipping.
Residue ILE   23 is missing expected H atoms. Skipping.
Residue VAL   24 is missing expected H atoms. Skipping.
Residue LEU   25 is missing expected H atoms. Skipping.
Residue SER   29 is missing expected H atoms. Skipping.
Residue VAL   31 is missing expected H atoms. Skipping.
Residue THR   32 is missing expected H atoms. Skipping.
Residue THR   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   35 is missing expected H atoms. Skipping.
Residue LYS   36 is missing expected H atoms. Skipping.
Residue LYS   38 is missing expected H atoms. Skipping.
Residue THR   40 is missing expected H atoms. Skipping.
Residue LEU   41 is missing expected H atoms. Skipping.
Residue LEU   45 is missing expected H atoms. Skipping.
Residue ILE   46 is missing expected H atoms. Skipping.
Residue THR   48 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue LYS   51 is missing expected H atoms. Skipping.
Residue ALA   54 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue LEU   56 is missing expected H atoms. Skipping.
Residue LYS   58 is missing expected H atoms. Skipping.
Residue TYR   59 is missing expected H atoms. Skipping.
Residue ILE   61 is missing expected H atoms. Skipping.
Residue ALA   63 is missing expected H atoms. Skipping.
Residue LYS   64 is missing expected H atoms. Skipping.
Residue LEU   65 is missing expected H atoms. Skipping.
Residue THR   66 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue THR   69 is missing expected H atoms. Skipping.
Residue THR   70 is missing expected H atoms. Skipping.
Residue SER   72 is missing expected H atoms. Skipping.
Residue THR   76 is missing expected H atoms. Skipping.
Residue SER   81 is missing expected H atoms. Skipping.
Residue LEU   82 is missing expected H atoms. Skipping.
Residue LYS   88 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue LYS   93 is missing expected H atoms. Skipping.
Residue SER   95 is missing expected H atoms. Skipping.
Residue MET   96 is missing expected H atoms. Skipping.
Residue VAL   97 is missing expected H atoms. Skipping.
Residue LEU  107 is missing expected H atoms. Skipping.
Residue LYS  110 is missing expected H atoms. Skipping.
Residue ILE  113 is missing expected H atoms. Skipping.
Residue VAL  114 is missing expected H atoms. Skipping.
Residue THR  115 is missing expected H atoms. Skipping.
Residue ALA  117 is missing expected H atoms. Skipping.
Residue MET  118 is missing expected H atoms. Skipping.
Residue THR  120 is missing expected H atoms. Skipping.
Residue LYS  122 is missing expected H atoms. Skipping.
Residue LYS  123 is missing expected H atoms. Skipping.
Residue MET  125 is missing expected H atoms. Skipping.
Residue LYS  126 is missing expected H atoms. Skipping.
Residue LYS  128 is missing expected H atoms. Skipping.
Residue VAL  129 is missing expected H atoms. Skipping.
Residue VAL  130 is missing expected H atoms. Skipping.
Residue LEU  135 is missing expected H atoms. Skipping.
Residue TYR  137 is missing expected H atoms. Skipping.
Residue THR  138 is missing expected H atoms. Skipping.
Residue ILE  139 is missing expected H atoms. Skipping.
Residue VAL  140 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue THR  142 is missing expected H atoms. Skipping.
Residue SER  145 is missing expected H atoms. Skipping.
Residue ALA  150 is missing expected H atoms. Skipping.
Residue VAL  151 is missing expected H atoms. Skipping.
Residue THR  155 is missing expected H atoms. Skipping.
Residue LYS  157 is missing expected H atoms. Skipping.
Residue LYS  160 is missing expected H atoms. Skipping.
Residue ILE  162 is missing expected H atoms. Skipping.
Residue LYS  163 is missing expected H atoms. Skipping.
Residue ILE  164 is missing expected H atoms. Skipping.
Residue THR  165 is missing expected H atoms. Skipping.
Residue SER  168 is missing expected H atoms. Skipping.
Residue SER  169 is missing expected H atoms. Skipping.
Residue ILE  170 is missing expected H atoms. Skipping.
Residue THR  171 is missing expected H atoms. Skipping.
Residue ALA  173 is missing expected H atoms. Skipping.
Residue LEU  175 is missing expected H atoms. Skipping.
Residue THR  176 is missing expected H atoms. Skipping.
Residue TYR  178 is missing expected H atoms. Skipping.
Residue THR  180 is missing expected H atoms. Skipping.
Residue VAL  181 is missing expected H atoms. Skipping.
Residue THR  182 is missing expected H atoms. Skipping.
Residue MET  183 is missing expected H atoms. Skipping.
Residue SER  186 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue LEU  191 is missing expected H atoms. Skipping.
Residue MET  196 is missing expected H atoms. Skipping.
Residue VAL  197 is missing expected H atoms. Skipping.
Residue LEU  198 is missing expected H atoms. Skipping.
Residue LEU  199 is missing expected H atoms. Skipping.
Residue MET  201 is missing expected H atoms. Skipping.
Residue LYS  204 is missing expected H atoms. Skipping.
Residue ALA  205 is missing expected H atoms. Skipping.
Residue LEU  207 is missing expected H atoms. Skipping.
Residue VAL  208 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue LEU  216 is missing expected H atoms. Skipping.
Residue LEU  218 is missing expected H atoms. Skipping.
Residue LEU  221 is missing expected H atoms. Skipping.
Residue ALA  224 is missing expected H atoms. Skipping.
Residue THR  226 is missing expected H atoms. Skipping.
Residue SER  229 is missing expected H atoms. Skipping.
Residue ILE  232 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue THR  236 is missing expected H atoms. Skipping.
Residue LEU  237 is missing expected H atoms. Skipping.
Residue VAL  238 is missing expected H atoms. Skipping.
Residue THR  239 is missing expected H atoms. Skipping.
Residue LYS  241 is missing expected H atoms. Skipping.
Residue ALA  245 is missing expected H atoms. Skipping.
Residue LYS  246 is missing expected H atoms. Skipping.
Residue LYS  247 is missing expected H atoms. Skipping.
Residue VAL  250 is missing expected H atoms. Skipping.
Residue VAL  251 is missing expected H atoms. Skipping.
Residue VAL  252 is missing expected H atoms. Skipping.
Residue LEU  253 is missing expected H atoms. Skipping.
Residue SER  255 is missing expected H atoms. Skipping.
Residue ALA  259 is missing expected H atoms. Skipping.
Residue MET  260 is missing expected H atoms. Skipping.
Residue THR  262 is missing expected H atoms. Skipping.
Residue ALA  263 is missing expected H atoms. Skipping.
Residue LEU  264 is missing expected H atoms. Skipping.
Residue THR  265 is missing expected H atoms. Skipping.
Residue ALA  267 is missing expected H atoms. Skipping.
Residue THR  268 is missing expected H atoms. Skipping.
Residue ILE  270 is missing expected H atoms. Skipping.
Residue MET  272 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue SER  274 is missing expected H atoms. Skipping.
Residue LEU  277 is missing expected H atoms. Skipping.
Residue LEU  278 is missing expected H atoms. Skipping.
Residue THR  280 is missing expected H atoms. Skipping.
Residue LEU  283 is missing expected H atoms. Skipping.
Residue LYS  284 is missing expected H atoms. Skipping.
Residue LEU  287 is missing expected H atoms. Skipping.
Residue MET  289 is missing expected H atoms. Skipping.
Residue LYS  291 is missing expected H atoms. Skipping.
Residue LEU  292 is missing expected H atoms. Skipping.
Residue LEU  294 is missing expected H atoms. Skipping.
Residue LYS  295 is missing expected H atoms. Skipping.
Residue MET  297 is missing expected H atoms. Skipping.
Residue SER  298 is missing expected H atoms. Skipping.
Residue TYR  299 is missing expected H atoms. Skipping.
Residue SER  300 is missing expected H atoms. Skipping.
Residue MET  301 is missing expected H atoms. Skipping.
Residue THR  303 is missing expected H atoms. Skipping.
Residue LYS  305 is missing expected H atoms. Skipping.
Residue LYS  307 is missing expected H atoms. Skipping.
Residue VAL  308 is missing expected H atoms. Skipping.
Residue VAL  309 is missing expected H atoms. Skipping.
Residue LYS  310 is missing expected H atoms. Skipping.
Residue ILE  312 is missing expected H atoms. Skipping.
Residue ALA  313 is missing expected H atoms. Skipping.
Residue THR  315 is missing expected H atoms. Skipping.
Residue THR  319 is missing expected H atoms. Skipping.
Residue ILE  320 is missing expected H atoms. Skipping.
Residue VAL  321 is missing expected H atoms. Skipping.
Residue ILE  322 is missing expected H atoms. Skipping.
Residue VAL  324 is missing expected H atoms. Skipping.
Residue TYR  326 is missing expected H atoms. Skipping.
Residue SER  331 is missing expected H atoms. Skipping.
Residue LYS  334 is missing expected H atoms. Skipping.
Residue ILE  335 is missing expected H atoms. Skipping.
Residue ILE  339 is missing expected H atoms. Skipping.
Residue MET  340 is missing expected H atoms. Skipping.
Residue LEU  342 is missing expected H atoms. Skipping.
Residue LYS  344 is missing expected H atoms. Skipping.
Residue VAL  347 is missing expected H atoms. Skipping.
Residue LEU  348 is missing expected H atoms. Skipping.
Residue LEU  351 is missing expected H atoms. Skipping.
Residue ILE  352 is missing expected H atoms. Skipping.
Residue THR  353 is missing expected H atoms. Skipping.
Residue VAL  354 is missing expected H atoms. Skipping.
Residue ILE  357 is missing expected H atoms. Skipping.
Residue VAL  358 is missing expected H atoms. Skipping.
Residue THR  359 is missing expected H atoms. Skipping.
Residue LYS  361 is missing expected H atoms. Skipping.
Residue SER  363 is missing expected H atoms. Skipping.
Residue VAL  365 is missing expected H atoms. Skipping.
Residue ILE  367 is missing expected H atoms. Skipping.
Residue ALA  369 is missing expected H atoms. Skipping.
Residue SER  376 is missing expected H atoms. Skipping.
Residue TYR  377 is missing expected H atoms. Skipping.
Residue ILE  378 is missing expected H atoms. Skipping.
Residue ILE  379 is missing expected H atoms. Skipping.
Residue ILE  380 is missing expected H atoms. Skipping.
Residue VAL  382 is missing expected H atoms. Skipping.
Residue LEU  387 is missing expected H atoms. Skipping.
Residue LYS  388 is missing expected H atoms. Skipping.
Residue LEU  389 is missing expected H atoms. Skipping.
Residue LYS  393 is missing expected H atoms. Skipping.
Residue LYS  394 is missing expected H atoms. Skipping.
Residue SER  396 is missing expected H atoms. Skipping.
Residue SER  397 is missing expected H atoms. Skipping.
Residue ILE  398 is missing expected H atoms. Skipping.
Residue MET  401 is missing expected H atoms. Skipping.
Residue ILE  402 is missing expected H atoms. Skipping.
Residue THR  404 is missing expected H atoms. Skipping.
Residue THR  405 is missing expected H atoms. Skipping.
Residue MET  406 is missing expected H atoms. Skipping.
Residue ALA  409 is missing expected H atoms. Skipping.
Residue LYS  410 is missing expected H atoms. Skipping.
Residue MET  412 is missing expected H atoms. Skipping.
Residue ALA  413 is missing expected H atoms. Skipping.
Residue ILE  414 is missing expected H atoms. Skipping.
Residue LEU  415 is missing expected H atoms. Skipping.
Residue THR  418 is missing expected H atoms. Skipping.
Residue ALA  419 is missing expected H atoms. Skipping.
Residue SER  424 is missing expected H atoms. Skipping.
Residue LEU  425 is missing expected H atoms. Skipping.
Residue VAL  428 is missing expected H atoms. Skipping.
Residue THR  430 is missing expected H atoms. Skipping.
Residue SER  431 is missing expected H atoms. Skipping.
Residue ILE  432 is missing expected H atoms. Skipping.
Residue LYS  434 is missing expected H atoms. Skipping.
Residue ALA  435 is missing expected H atoms. Skipping.
Residue LEU  436 is missing expected H atoms. Skipping.
Residue VAL  439 is missing expected H atoms. Skipping.
Residue ALA  442 is missing expected H atoms. Skipping.
Residue ILE  443 is missing expected H atoms. Skipping.
Residue TYR  444 is missing expected H atoms. Skipping.
Residue ALA  446 is missing expected H atoms. Skipping.
Residue ALA  447 is missing expected H atoms. Skipping.
Residue SER  449 is missing expected H atoms. Skipping.
Residue VAL  451 is missing expected H atoms. Skipping.
Residue SER  452 is missing expected H atoms. Skipping.
Residue ILE  454 is missing expected H atoms. Skipping.
Residue MET  455 is missing expected H atoms. Skipping.
Residue LYS  456 is missing expected H atoms. Skipping.
Residue ILE  457 is missing expected H atoms. Skipping.
Residue LEU  458 is missing expected H atoms. Skipping.
Residue ILE  459 is missing expected H atoms. Skipping.
Residue VAL  461 is missing expected H atoms. Skipping.
Residue ILE  462 is missing expected H atoms. Skipping.
Residue ILE  463 is missing expected H atoms. Skipping.
Residue THR  464 is missing expected H atoms. Skipping.
Residue ILE  466 is missing expected H atoms. Skipping.
Residue MET  468 is missing expected H atoms. Skipping.
Residue SER  470 is missing expected H atoms. Skipping.
Residue SER  472 is missing expected H atoms. Skipping.
Residue THR  473 is missing expected H atoms. Skipping.
Residue SER  474 is missing expected H atoms. Skipping.
Residue LEU  475 is missing expected H atoms. Skipping.
Residue SER  476 is missing expected H atoms. Skipping.
Residue VAL  477 is missing expected H atoms. Skipping.
Residue SER  478 is missing expected H atoms. Skipping.
Residue LEU  479 is missing expected H atoms. Skipping.
Residue VAL  480 is missing expected H atoms. Skipping.
Residue LEU  481 is missing expected H atoms. Skipping.
Residue VAL  482 is missing expected H atoms. Skipping.
Residue VAL  484 is missing expected H atoms. Skipping.
Residue VAL  485 is missing expected H atoms. Skipping.
Residue THR  486 is missing expected H atoms. Skipping.
Residue LEU  487 is missing expected H atoms. Skipping.
Residue TYR  488 is missing expected H atoms. Skipping.
Residue LEU  489 is missing expected H atoms. Skipping.
Residue VAL  491 is missing expected H atoms. Skipping.
Residue MET  492 is missing expected H atoms. Skipping.
Residue VAL  493 is missing expected H atoms. Skipping.
Residue VAL    2 is missing expected H atoms. Skipping.
Residue ALA    3 is missing expected H atoms. Skipping.
Residue LEU    4 is missing expected H atoms. Skipping.
Residue VAL    5 is missing expected H atoms. Skipping.
Residue VAL    8 is missing expected H atoms. Skipping.
Residue MET   10 is missing expected H atoms. Skipping.
Residue LEU   12 is missing expected H atoms. Skipping.
Residue THR   14 is missing expected H atoms. Skipping.
Residue ALA   15 is missing expected H atoms. Skipping.
Residue THR   16 is missing expected H atoms. Skipping.
Residue THR   18 is missing expected H atoms. Skipping.
Residue MET   20 is missing expected H atoms. Skipping.
Residue SER   21 is missing expected H atoms. Skipping.
Residue SER   22 is missing expected H atoms. Skipping.
Residue ALA   25 is missing expected H atoms. Skipping.
Residue LYS   27 is missing expected H atoms. Skipping.
Residue ALA   29 is missing expected H atoms. Skipping.
Residue ILE   32 is missing expected H atoms. Skipping.
Residue THR   34 is missing expected H atoms. Skipping.
Residue ILE   36 is missing expected H atoms. Skipping.
Residue LEU   37 is missing expected H atoms. Skipping.
Residue THR   43 is missing expected H atoms. Skipping.
Residue ILE   44 is missing expected H atoms. Skipping.
Residue MET   45 is missing expected H atoms. Skipping.
Residue ALA   46 is missing expected H atoms. Skipping.
Residue ALA   47 is missing expected H atoms. Skipping.
Residue ILE   48 is missing expected H atoms. Skipping.
Residue LEU   49 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue TYR   51 is missing expected H atoms. Skipping.
Residue THR   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue THR   56 is missing expected H atoms. Skipping.
Residue ALA   61 is missing expected H atoms. Skipping.
Residue LEU   62 is missing expected H atoms. Skipping.
Residue ILE   63 is missing expected H atoms. Skipping.
Residue ILE   65 is missing expected H atoms. Skipping.
Residue LEU   66 is missing expected H atoms. Skipping.
Residue LEU   67 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue ALA   69 is missing expected H atoms. Skipping.
Residue VAL   70 is missing expected H atoms. Skipping.
Residue ALA   71 is missing expected H atoms. Skipping.
Evaluate side-chains
  513 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 192
    poor density    : 321
  time to evaluate  : 1.030 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
REVERT: A   48 THR cc_start: 0.9125 (OUTLIER) cc_final: 0.8884 (t)
REVERT: A   51 LYS cc_start: 0.6911 (OUTLIER) cc_final: 0.4671 (mppt)
REVERT: A   73 ARG cc_start: 0.7605 (tpt-90) cc_final: 0.6839 (ttm-80)
REVERT: A   75 PRO cc_start: 0.9065 (OUTLIER) cc_final: 0.8839 (Cg_exo)
REVERT: A   77 GLN cc_start: 0.8201 (OUTLIER) cc_final: 0.7345 (pp30)
REVERT: A   89 ARG cc_start: 0.7150 (ttt-90) cc_final: 0.6867 (mpt180)
REVERT: A   96 MET cc_start: 0.8707 (ptp) cc_final: 0.8290 (mmt)
REVERT: A  134 ASN cc_start: 0.8577 (m-40) cc_final: 0.8180 (m-40)
REVERT: A  135 LEU cc_start: 0.9030 (OUTLIER) cc_final: 0.8797 (tm)
REVERT: A  136 GLU cc_start: 0.8199 (tt0) cc_final: 0.7848 (mp0)
REVERT: A  157 LYS cc_start: 0.8118 (OUTLIER) cc_final: 0.7506 (ptmt)
REVERT: A  161 GLU cc_start: 0.8212 (mt-10) cc_final: 0.7823 (pm20)
REVERT: A  211 GLN cc_start: 0.8574 (OUTLIER) cc_final: 0.8291 (tp40)
REVERT: A  247 LYS cc_start: 0.8353 (OUTLIER) cc_final: 0.7727 (mmmt)
REVERT: A  276 ASN cc_start: 0.8359 (p0) cc_final: 0.8095 (p0)
REVERT: A  277 LEU cc_start: 0.8967 (OUTLIER) cc_final: 0.8308 (pt)
REVERT: A  279 PHE cc_start: 0.6400 (OUTLIER) cc_final: 0.5872 (m-80)
REVERT: A  283 LEU cc_start: 0.9072 (OUTLIER) cc_final: 0.8763 (pt)
REVERT: A  295 LYS cc_start: 0.8275 (OUTLIER) cc_final: 0.8038 (ttpt)
REVERT: A  306 PHE cc_start: 0.5033 (OUTLIER) cc_final: 0.4470 (p90)
REVERT: A  402 ILE cc_start: 0.8703 (OUTLIER) cc_final: 0.8279 (mm)
REVERT: A  422 PHE cc_start: 0.7867 (OUTLIER) cc_final: 0.6373 (t80)
REVERT: B    6 PRO cc_start: 0.8604 (OUTLIER) cc_final: 0.8361 (Cg_endo)
REVERT: B   30 GLN cc_start: 0.8086 (tp40) cc_final: 0.7252 (tt0)
REVERT: C   49 GLU cc_start: 0.8319 (mt-10) cc_final: 0.7961 (mp0)
REVERT: C   51 LYS cc_start: 0.6850 (OUTLIER) cc_final: 0.4655 (mppt)
REVERT: C   64 LYS cc_start: 0.7287 (OUTLIER) cc_final: 0.6542 (ptmt)
REVERT: C   73 ARG cc_start: 0.7532 (tpt-90) cc_final: 0.6627 (ttm-80)
REVERT: C   89 ARG cc_start: 0.7475 (ttt-90) cc_final: 0.6952 (mpt180)
REVERT: C  135 LEU cc_start: 0.8963 (OUTLIER) cc_final: 0.8676 (tm)
REVERT: C  157 LYS cc_start: 0.8110 (OUTLIER) cc_final: 0.7350 (ptmt)
REVERT: C  161 GLU cc_start: 0.8241 (mt-10) cc_final: 0.7802 (pp20)
REVERT: C  183 MET cc_start: 0.8320 (ttm) cc_final: 0.7630 (mtp)
REVERT: C  220 TRP cc_start: 0.8814 (OUTLIER) cc_final: 0.7322 (p90)
REVERT: C  247 LYS cc_start: 0.8313 (OUTLIER) cc_final: 0.7598 (tptp)
REVERT: C  250 VAL cc_start: 0.8318 (OUTLIER) cc_final: 0.8026 (m)
REVERT: C  277 LEU cc_start: 0.9051 (OUTLIER) cc_final: 0.8610 (pt)
REVERT: C  279 PHE cc_start: 0.6285 (OUTLIER) cc_final: 0.5560 (m-10)
REVERT: C  283 LEU cc_start: 0.9110 (OUTLIER) cc_final: 0.8812 (pt)
REVERT: C  306 PHE cc_start: 0.5531 (OUTLIER) cc_final: 0.4579 (p90)
REVERT: C  388 LYS cc_start: 0.8643 (OUTLIER) cc_final: 0.7830 (ttmt)
REVERT: C  400 GLN cc_start: 0.8862 (OUTLIER) cc_final: 0.8590 (tp40)
REVERT: C  402 ILE cc_start: 0.8773 (OUTLIER) cc_final: 0.8252 (mm)
REVERT: C  434 LYS cc_start: 0.8577 (OUTLIER) cc_final: 0.8266 (ttpt)
REVERT: D    4 LEU cc_start: 0.7834 (OUTLIER) cc_final: 0.7467 (mm)
REVERT: D    6 PRO cc_start: 0.8559 (OUTLIER) cc_final: 0.8297 (Cg_endo)
REVERT: D   30 GLN cc_start: 0.8049 (tp40) cc_final: 0.7253 (tt0)
REVERT: D   66 LEU cc_start: 0.8669 (mp) cc_final: 0.8428 (mp)
  outliers start: 192
  outliers final: 124
  residues processed: 461
  average time/residue: 0.2301
  time to fit residues: 145.0028
Evaluate side-chains
  417 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 157
    poor density    : 260
  time to evaluate  : 1.077 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue    1 MET
Chi-restraints excluded: chain A residue   20 TRP
Chi-restraints excluded: chain A residue   25 LEU
Chi-restraints excluded: chain A residue   45 LEU
Chi-restraints excluded: chain A residue   46 ILE
Chi-restraints excluded: chain A residue   48 THR
Chi-restraints excluded: chain A residue   51 LYS
Chi-restraints excluded: chain A residue   55 THR
Chi-restraints excluded: chain A residue   58 LYS
Chi-restraints excluded: chain A residue   61 ILE
Chi-restraints excluded: chain A residue   65 LEU
Chi-restraints excluded: chain A residue   75 PRO
Chi-restraints excluded: chain A residue   77 GLN
Chi-restraints excluded: chain A residue   82 LEU
Chi-restraints excluded: chain A residue   98 ASP
Chi-restraints excluded: chain A residue  113 ILE
Chi-restraints excluded: chain A residue  116 CYS
Chi-restraints excluded: chain A residue  122 LYS
Chi-restraints excluded: chain A residue  125 MET
Chi-restraints excluded: chain A residue  126 LYS
Chi-restraints excluded: chain A residue  135 LEU
Chi-restraints excluded: chain A residue  141 ILE
Chi-restraints excluded: chain A residue  157 LYS
Chi-restraints excluded: chain A residue  158 HIS
Chi-restraints excluded: chain A residue  162 ILE
Chi-restraints excluded: chain A residue  164 ILE
Chi-restraints excluded: chain A residue  170 ILE
Chi-restraints excluded: chain A residue  175 LEU
Chi-restraints excluded: chain A residue  196 MET
Chi-restraints excluded: chain A residue  198 LEU
Chi-restraints excluded: chain A residue  204 LYS
Chi-restraints excluded: chain A residue  207 LEU
Chi-restraints excluded: chain A residue  211 GLN
Chi-restraints excluded: chain A residue  220 TRP
Chi-restraints excluded: chain A residue  233 GLN
Chi-restraints excluded: chain A residue  240 PHE
Chi-restraints excluded: chain A residue  244 HIS
Chi-restraints excluded: chain A residue  247 LYS
Chi-restraints excluded: chain A residue  250 VAL
Chi-restraints excluded: chain A residue  256 GLN
Chi-restraints excluded: chain A residue  264 LEU
Chi-restraints excluded: chain A residue  270 ILE
Chi-restraints excluded: chain A residue  277 LEU
Chi-restraints excluded: chain A residue  279 PHE
Chi-restraints excluded: chain A residue  280 THR
Chi-restraints excluded: chain A residue  283 LEU
Chi-restraints excluded: chain A residue  295 LYS
Chi-restraints excluded: chain A residue  299 TYR
Chi-restraints excluded: chain A residue  306 PHE
Chi-restraints excluded: chain A residue  311 GLU
Chi-restraints excluded: chain A residue  312 ILE
Chi-restraints excluded: chain A residue  320 ILE
Chi-restraints excluded: chain A residue  348 LEU
Chi-restraints excluded: chain A residue  351 LEU
Chi-restraints excluded: chain A residue  358 VAL
Chi-restraints excluded: chain A residue  359 THR
Chi-restraints excluded: chain A residue  365 VAL
Chi-restraints excluded: chain A residue  367 ILE
Chi-restraints excluded: chain A residue  389 LEU
Chi-restraints excluded: chain A residue  402 ILE
Chi-restraints excluded: chain A residue  422 PHE
Chi-restraints excluded: chain A residue  431 SER
Chi-restraints excluded: chain A residue  432 ILE
Chi-restraints excluded: chain A residue  438 GLN
Chi-restraints excluded: chain A residue  448 PHE
Chi-restraints excluded: chain A residue  451 VAL
Chi-restraints excluded: chain A residue  454 ILE
Chi-restraints excluded: chain A residue  457 ILE
Chi-restraints excluded: chain A residue  466 ILE
Chi-restraints excluded: chain A residue  480 VAL
Chi-restraints excluded: chain A residue  484 VAL
Chi-restraints excluded: chain B residue    2 VAL
Chi-restraints excluded: chain B residue    4 LEU
Chi-restraints excluded: chain B residue    6 PRO
Chi-restraints excluded: chain B residue    8 VAL
Chi-restraints excluded: chain B residue   14 THR
Chi-restraints excluded: chain B residue   26 TRP
Chi-restraints excluded: chain B residue   36 ILE
Chi-restraints excluded: chain B residue   37 LEU
Chi-restraints excluded: chain C residue   20 TRP
Chi-restraints excluded: chain C residue   25 LEU
Chi-restraints excluded: chain C residue   38 LYS
Chi-restraints excluded: chain C residue   45 LEU
Chi-restraints excluded: chain C residue   48 THR
Chi-restraints excluded: chain C residue   51 LYS
Chi-restraints excluded: chain C residue   55 THR
Chi-restraints excluded: chain C residue   58 LYS
Chi-restraints excluded: chain C residue   61 ILE
Chi-restraints excluded: chain C residue   64 LYS
Chi-restraints excluded: chain C residue   65 LEU
Chi-restraints excluded: chain C residue   77 GLN
Chi-restraints excluded: chain C residue   98 ASP
Chi-restraints excluded: chain C residue  107 LEU
Chi-restraints excluded: chain C residue  113 ILE
Chi-restraints excluded: chain C residue  116 CYS
Chi-restraints excluded: chain C residue  122 LYS
Chi-restraints excluded: chain C residue  125 MET
Chi-restraints excluded: chain C residue  126 LYS
Chi-restraints excluded: chain C residue  135 LEU
Chi-restraints excluded: chain C residue  141 ILE
Chi-restraints excluded: chain C residue  157 LYS
Chi-restraints excluded: chain C residue  158 HIS
Chi-restraints excluded: chain C residue  162 ILE
Chi-restraints excluded: chain C residue  164 ILE
Chi-restraints excluded: chain C residue  170 ILE
Chi-restraints excluded: chain C residue  175 LEU
Chi-restraints excluded: chain C residue  196 MET
Chi-restraints excluded: chain C residue  198 LEU
Chi-restraints excluded: chain C residue  204 LYS
Chi-restraints excluded: chain C residue  211 GLN
Chi-restraints excluded: chain C residue  220 TRP
Chi-restraints excluded: chain C residue  233 GLN
Chi-restraints excluded: chain C residue  240 PHE
Chi-restraints excluded: chain C residue  244 HIS
Chi-restraints excluded: chain C residue  247 LYS
Chi-restraints excluded: chain C residue  248 GLN
Chi-restraints excluded: chain C residue  250 VAL
Chi-restraints excluded: chain C residue  256 GLN
Chi-restraints excluded: chain C residue  264 LEU
Chi-restraints excluded: chain C residue  270 ILE
Chi-restraints excluded: chain C residue  277 LEU
Chi-restraints excluded: chain C residue  279 PHE
Chi-restraints excluded: chain C residue  280 THR
Chi-restraints excluded: chain C residue  283 LEU
Chi-restraints excluded: chain C residue  295 LYS
Chi-restraints excluded: chain C residue  299 TYR
Chi-restraints excluded: chain C residue  306 PHE
Chi-restraints excluded: chain C residue  311 GLU
Chi-restraints excluded: chain C residue  312 ILE
Chi-restraints excluded: chain C residue  335 ILE
Chi-restraints excluded: chain C residue  351 LEU
Chi-restraints excluded: chain C residue  365 VAL
Chi-restraints excluded: chain C residue  388 LYS
Chi-restraints excluded: chain C residue  389 LEU
Chi-restraints excluded: chain C residue  400 GLN
Chi-restraints excluded: chain C residue  402 ILE
Chi-restraints excluded: chain C residue  422 PHE
Chi-restraints excluded: chain C residue  431 SER
Chi-restraints excluded: chain C residue  432 ILE
Chi-restraints excluded: chain C residue  434 LYS
Chi-restraints excluded: chain C residue  438 GLN
Chi-restraints excluded: chain C residue  448 PHE
Chi-restraints excluded: chain C residue  451 VAL
Chi-restraints excluded: chain C residue  454 ILE
Chi-restraints excluded: chain C residue  457 ILE
Chi-restraints excluded: chain C residue  466 ILE
Chi-restraints excluded: chain C residue  480 VAL
Chi-restraints excluded: chain C residue  484 VAL
Chi-restraints excluded: chain C residue  492 MET
Chi-restraints excluded: chain D residue    2 VAL
Chi-restraints excluded: chain D residue    4 LEU
Chi-restraints excluded: chain D residue    6 PRO
Chi-restraints excluded: chain D residue    8 VAL
Chi-restraints excluded: chain D residue   14 THR
Chi-restraints excluded: chain D residue   26 TRP
Chi-restraints excluded: chain D residue   36 ILE
Chi-restraints excluded: chain D residue   37 LEU
Rotamers are restrained with sigma=5.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 112
   random chunks:
   chunk 94 optimal weight:    6.9990
   chunk 84 optimal weight:    5.9990
   chunk 47 optimal weight:   20.0000
   chunk 28 optimal weight:    6.9990
   chunk 57 optimal weight:    6.9990
   chunk 45 optimal weight:    5.9990
   chunk 87 optimal weight:    6.9990
   chunk 33 optimal weight:    9.9990
   chunk 53 optimal weight:    6.9990
   chunk 65 optimal weight:    8.9990
   chunk 101 optimal weight:    5.9990
   overall best weight:    6.3990

-------------------------------------------------------------------------------
NQH flips
*********
Analyzing N/Q/H residues for possible flip corrections...

Flipped N/Q/H residues before XYZ refinement:
** A  27 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** A  77 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
A  83 ASN
A 200 GLN
A 203 ASN
A 230 ASN
A 233 GLN
A 242 ASN
A 244 HIS
A 256 GLN
** A 355 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** A 386 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
** B   7 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** B  59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
C   8 ASN
** C  27 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** C  77 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
C  83 ASN
** C 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
C 200 GLN
C 203 ASN
C 230 ASN
C 233 GLN
C 242 ASN
C 244 HIS
C 248 GLN
C 256 GLN
C 386 GLN
C 400 GLN
** D   7 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** D  59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**

Total number of N/Q/H flips: 20

-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.3716 r_free = 0.3716 target = 0.144664 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 27)----------------|
| r_work = 0.3592 r_free = 0.3592 target = 0.134807 restraints weight = 21159.062|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 28)----------------|
| r_work = 0.3623 r_free = 0.3623 target = 0.137355 restraints weight = 10723.147|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 33)----------------|
| r_work = 0.3644 r_free = 0.3644 target = 0.139042 restraints weight = 6349.797|
|-----------------------------------------------------------------------------|
r_work (final): 0.3625
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7386
moved from start:          0.3171

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.004   0.034   8986  Z= 0.264
  Angle     :  1.024  11.373  12164  Z= 0.522
  Chirality :  0.052   0.184   1412
  Planarity :  0.006   0.056   1520
  Dihedral  : 15.612  92.242   1663
  Min Nonbonded Distance : 2.205

Molprobity Statistics.
  All-atom Clashscore : 77.85
  Ramachandran Plot:
    Outliers :  5.24 %
    Allowed  : 27.89 %
    Favored  : 66.87 %
  Rotamer:
    Outliers : 17.40 %
    Allowed  : 22.75 %
    Favored  : 59.85 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole: -7.02 (0.17), residues: 1126
  helix: -4.25 (0.18), residues: 296
  sheet: -3.25 (0.28), residues: 280
  loop : -5.85 (0.16), residues: 550

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.021   0.002   TRP A 220 
 HIS   0.008   0.002   HIS C 282 
 PHE   0.023   0.002   PHE C 108 
 TYR   0.025   0.002   TYR A 444 
 ARG   0.005   0.001   ARG C 345 

*********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************

-------------------------------------------------------------------------------
Update Rama plot phi/psi targets (oldfield only)
************************************************

  2252 Ramachandran restraints generated.
    1126 Oldfield, 0 Emsley, 1126 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  2252 Ramachandran restraints generated.
    1126 Oldfield, 0 Emsley, 1126 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Residue ILE    4 is missing expected H atoms. Skipping.
Residue ILE    6 is missing expected H atoms. Skipping.
Residue SER    7 is missing expected H atoms. Skipping.
Residue VAL   12 is missing expected H atoms. Skipping.
Residue VAL   15 is missing expected H atoms. Skipping.
Residue SER   16 is missing expected H atoms. Skipping.
Residue SER   19 is missing expected H atoms. Skipping.
Residue VAL   21 is missing expected H atoms. Skipping.
Residue ILE   23 is missing expected H atoms. Skipping.
Residue VAL   24 is missing expected H atoms. Skipping.
Residue LEU   25 is missing expected H atoms. Skipping.
Residue SER   29 is missing expected H atoms. Skipping.
Residue VAL   31 is missing expected H atoms. Skipping.
Residue THR   32 is missing expected H atoms. Skipping.
Residue THR   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   35 is missing expected H atoms. Skipping.
Residue LYS   36 is missing expected H atoms. Skipping.
Residue LYS   38 is missing expected H atoms. Skipping.
Residue THR   40 is missing expected H atoms. Skipping.
Residue LEU   41 is missing expected H atoms. Skipping.
Residue LEU   45 is missing expected H atoms. Skipping.
Residue ILE   46 is missing expected H atoms. Skipping.
Residue THR   48 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue LYS   51 is missing expected H atoms. Skipping.
Residue ALA   54 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue LEU   56 is missing expected H atoms. Skipping.
Residue LYS   58 is missing expected H atoms. Skipping.
Residue TYR   59 is missing expected H atoms. Skipping.
Residue ILE   61 is missing expected H atoms. Skipping.
Residue ALA   63 is missing expected H atoms. Skipping.
Residue LYS   64 is missing expected H atoms. Skipping.
Residue LEU   65 is missing expected H atoms. Skipping.
Residue THR   66 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue THR   69 is missing expected H atoms. Skipping.
Residue THR   70 is missing expected H atoms. Skipping.
Residue SER   72 is missing expected H atoms. Skipping.
Residue THR   76 is missing expected H atoms. Skipping.
Residue SER   81 is missing expected H atoms. Skipping.
Residue LEU   82 is missing expected H atoms. Skipping.
Residue LYS   88 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue LYS   93 is missing expected H atoms. Skipping.
Residue SER   95 is missing expected H atoms. Skipping.
Residue MET   96 is missing expected H atoms. Skipping.
Residue VAL   97 is missing expected H atoms. Skipping.
Residue LEU  107 is missing expected H atoms. Skipping.
Residue LYS  110 is missing expected H atoms. Skipping.
Residue ILE  113 is missing expected H atoms. Skipping.
Residue VAL  114 is missing expected H atoms. Skipping.
Residue THR  115 is missing expected H atoms. Skipping.
Residue ALA  117 is missing expected H atoms. Skipping.
Residue MET  118 is missing expected H atoms. Skipping.
Residue THR  120 is missing expected H atoms. Skipping.
Residue LYS  122 is missing expected H atoms. Skipping.
Residue LYS  123 is missing expected H atoms. Skipping.
Residue MET  125 is missing expected H atoms. Skipping.
Residue LYS  126 is missing expected H atoms. Skipping.
Residue LYS  128 is missing expected H atoms. Skipping.
Residue VAL  129 is missing expected H atoms. Skipping.
Residue VAL  130 is missing expected H atoms. Skipping.
Residue LEU  135 is missing expected H atoms. Skipping.
Residue TYR  137 is missing expected H atoms. Skipping.
Residue THR  138 is missing expected H atoms. Skipping.
Residue ILE  139 is missing expected H atoms. Skipping.
Residue VAL  140 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue THR  142 is missing expected H atoms. Skipping.
Residue SER  145 is missing expected H atoms. Skipping.
Residue ALA  150 is missing expected H atoms. Skipping.
Residue VAL  151 is missing expected H atoms. Skipping.
Residue THR  155 is missing expected H atoms. Skipping.
Residue LYS  157 is missing expected H atoms. Skipping.
Residue LYS  160 is missing expected H atoms. Skipping.
Residue ILE  162 is missing expected H atoms. Skipping.
Residue LYS  163 is missing expected H atoms. Skipping.
Residue ILE  164 is missing expected H atoms. Skipping.
Residue THR  165 is missing expected H atoms. Skipping.
Residue SER  168 is missing expected H atoms. Skipping.
Residue SER  169 is missing expected H atoms. Skipping.
Residue ILE  170 is missing expected H atoms. Skipping.
Residue THR  171 is missing expected H atoms. Skipping.
Residue ALA  173 is missing expected H atoms. Skipping.
Residue LEU  175 is missing expected H atoms. Skipping.
Residue THR  176 is missing expected H atoms. Skipping.
Residue TYR  178 is missing expected H atoms. Skipping.
Residue THR  180 is missing expected H atoms. Skipping.
Residue VAL  181 is missing expected H atoms. Skipping.
Residue THR  182 is missing expected H atoms. Skipping.
Residue MET  183 is missing expected H atoms. Skipping.
Residue SER  186 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue LEU  191 is missing expected H atoms. Skipping.
Residue MET  196 is missing expected H atoms. Skipping.
Residue VAL  197 is missing expected H atoms. Skipping.
Residue LEU  198 is missing expected H atoms. Skipping.
Residue LEU  199 is missing expected H atoms. Skipping.
Residue MET  201 is missing expected H atoms. Skipping.
Residue LYS  204 is missing expected H atoms. Skipping.
Residue ALA  205 is missing expected H atoms. Skipping.
Residue LEU  207 is missing expected H atoms. Skipping.
Residue VAL  208 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue LEU  216 is missing expected H atoms. Skipping.
Residue LEU  218 is missing expected H atoms. Skipping.
Residue LEU  221 is missing expected H atoms. Skipping.
Residue ALA  224 is missing expected H atoms. Skipping.
Residue THR  226 is missing expected H atoms. Skipping.
Residue SER  229 is missing expected H atoms. Skipping.
Residue ILE  232 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue THR  236 is missing expected H atoms. Skipping.
Residue LEU  237 is missing expected H atoms. Skipping.
Residue VAL  238 is missing expected H atoms. Skipping.
Residue THR  239 is missing expected H atoms. Skipping.
Residue LYS  241 is missing expected H atoms. Skipping.
Residue ALA  245 is missing expected H atoms. Skipping.
Residue LYS  246 is missing expected H atoms. Skipping.
Residue LYS  247 is missing expected H atoms. Skipping.
Residue VAL  250 is missing expected H atoms. Skipping.
Residue VAL  251 is missing expected H atoms. Skipping.
Residue VAL  252 is missing expected H atoms. Skipping.
Residue LEU  253 is missing expected H atoms. Skipping.
Residue SER  255 is missing expected H atoms. Skipping.
Residue ALA  259 is missing expected H atoms. Skipping.
Residue MET  260 is missing expected H atoms. Skipping.
Residue THR  262 is missing expected H atoms. Skipping.
Residue ALA  263 is missing expected H atoms. Skipping.
Residue LEU  264 is missing expected H atoms. Skipping.
Residue THR  265 is missing expected H atoms. Skipping.
Residue ALA  267 is missing expected H atoms. Skipping.
Residue THR  268 is missing expected H atoms. Skipping.
Residue ILE  270 is missing expected H atoms. Skipping.
Residue MET  272 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue SER  274 is missing expected H atoms. Skipping.
Residue LEU  277 is missing expected H atoms. Skipping.
Residue LEU  278 is missing expected H atoms. Skipping.
Residue THR  280 is missing expected H atoms. Skipping.
Residue LEU  283 is missing expected H atoms. Skipping.
Residue LYS  284 is missing expected H atoms. Skipping.
Residue LEU  287 is missing expected H atoms. Skipping.
Residue MET  289 is missing expected H atoms. Skipping.
Residue LYS  291 is missing expected H atoms. Skipping.
Residue LEU  292 is missing expected H atoms. Skipping.
Residue LEU  294 is missing expected H atoms. Skipping.
Residue LYS  295 is missing expected H atoms. Skipping.
Residue MET  297 is missing expected H atoms. Skipping.
Residue SER  298 is missing expected H atoms. Skipping.
Residue TYR  299 is missing expected H atoms. Skipping.
Residue SER  300 is missing expected H atoms. Skipping.
Residue MET  301 is missing expected H atoms. Skipping.
Residue THR  303 is missing expected H atoms. Skipping.
Residue LYS  305 is missing expected H atoms. Skipping.
Residue LYS  307 is missing expected H atoms. Skipping.
Residue VAL  308 is missing expected H atoms. Skipping.
Residue VAL  309 is missing expected H atoms. Skipping.
Residue LYS  310 is missing expected H atoms. Skipping.
Residue ILE  312 is missing expected H atoms. Skipping.
Residue ALA  313 is missing expected H atoms. Skipping.
Residue THR  315 is missing expected H atoms. Skipping.
Residue THR  319 is missing expected H atoms. Skipping.
Residue ILE  320 is missing expected H atoms. Skipping.
Residue VAL  321 is missing expected H atoms. Skipping.
Residue ILE  322 is missing expected H atoms. Skipping.
Residue VAL  324 is missing expected H atoms. Skipping.
Residue TYR  326 is missing expected H atoms. Skipping.
Residue SER  331 is missing expected H atoms. Skipping.
Residue LYS  334 is missing expected H atoms. Skipping.
Residue ILE  335 is missing expected H atoms. Skipping.
Residue ILE  339 is missing expected H atoms. Skipping.
Residue MET  340 is missing expected H atoms. Skipping.
Residue LEU  342 is missing expected H atoms. Skipping.
Residue LYS  344 is missing expected H atoms. Skipping.
Residue VAL  347 is missing expected H atoms. Skipping.
Residue LEU  348 is missing expected H atoms. Skipping.
Residue LEU  351 is missing expected H atoms. Skipping.
Residue ILE  352 is missing expected H atoms. Skipping.
Residue THR  353 is missing expected H atoms. Skipping.
Residue VAL  354 is missing expected H atoms. Skipping.
Residue ILE  357 is missing expected H atoms. Skipping.
Residue VAL  358 is missing expected H atoms. Skipping.
Residue THR  359 is missing expected H atoms. Skipping.
Residue LYS  361 is missing expected H atoms. Skipping.
Residue SER  363 is missing expected H atoms. Skipping.
Residue VAL  365 is missing expected H atoms. Skipping.
Residue ILE  367 is missing expected H atoms. Skipping.
Residue ALA  369 is missing expected H atoms. Skipping.
Residue SER  376 is missing expected H atoms. Skipping.
Residue TYR  377 is missing expected H atoms. Skipping.
Residue ILE  378 is missing expected H atoms. Skipping.
Residue ILE  379 is missing expected H atoms. Skipping.
Residue ILE  380 is missing expected H atoms. Skipping.
Residue VAL  382 is missing expected H atoms. Skipping.
Residue LEU  387 is missing expected H atoms. Skipping.
Residue LYS  388 is missing expected H atoms. Skipping.
Residue LEU  389 is missing expected H atoms. Skipping.
Residue LYS  393 is missing expected H atoms. Skipping.
Residue LYS  394 is missing expected H atoms. Skipping.
Residue SER  396 is missing expected H atoms. Skipping.
Residue SER  397 is missing expected H atoms. Skipping.
Residue ILE  398 is missing expected H atoms. Skipping.
Residue MET  401 is missing expected H atoms. Skipping.
Residue ILE  402 is missing expected H atoms. Skipping.
Residue THR  404 is missing expected H atoms. Skipping.
Residue THR  405 is missing expected H atoms. Skipping.
Residue MET  406 is missing expected H atoms. Skipping.
Residue ALA  409 is missing expected H atoms. Skipping.
Residue LYS  410 is missing expected H atoms. Skipping.
Residue MET  412 is missing expected H atoms. Skipping.
Residue ALA  413 is missing expected H atoms. Skipping.
Residue ILE  414 is missing expected H atoms. Skipping.
Residue LEU  415 is missing expected H atoms. Skipping.
Residue THR  418 is missing expected H atoms. Skipping.
Residue ALA  419 is missing expected H atoms. Skipping.
Residue SER  424 is missing expected H atoms. Skipping.
Residue LEU  425 is missing expected H atoms. Skipping.
Residue VAL  428 is missing expected H atoms. Skipping.
Residue THR  430 is missing expected H atoms. Skipping.
Residue SER  431 is missing expected H atoms. Skipping.
Residue ILE  432 is missing expected H atoms. Skipping.
Residue LYS  434 is missing expected H atoms. Skipping.
Residue ALA  435 is missing expected H atoms. Skipping.
Residue LEU  436 is missing expected H atoms. Skipping.
Residue VAL  439 is missing expected H atoms. Skipping.
Residue ALA  442 is missing expected H atoms. Skipping.
Residue ILE  443 is missing expected H atoms. Skipping.
Residue TYR  444 is missing expected H atoms. Skipping.
Residue ALA  446 is missing expected H atoms. Skipping.
Residue ALA  447 is missing expected H atoms. Skipping.
Residue SER  449 is missing expected H atoms. Skipping.
Residue VAL  451 is missing expected H atoms. Skipping.
Residue SER  452 is missing expected H atoms. Skipping.
Residue ILE  454 is missing expected H atoms. Skipping.
Residue MET  455 is missing expected H atoms. Skipping.
Residue LYS  456 is missing expected H atoms. Skipping.
Residue ILE  457 is missing expected H atoms. Skipping.
Residue LEU  458 is missing expected H atoms. Skipping.
Residue ILE  459 is missing expected H atoms. Skipping.
Residue VAL  461 is missing expected H atoms. Skipping.
Residue ILE  462 is missing expected H atoms. Skipping.
Residue ILE  463 is missing expected H atoms. Skipping.
Residue THR  464 is missing expected H atoms. Skipping.
Residue ILE  466 is missing expected H atoms. Skipping.
Residue MET  468 is missing expected H atoms. Skipping.
Residue SER  470 is missing expected H atoms. Skipping.
Residue SER  472 is missing expected H atoms. Skipping.
Residue THR  473 is missing expected H atoms. Skipping.
Residue SER  474 is missing expected H atoms. Skipping.
Residue LEU  475 is missing expected H atoms. Skipping.
Residue SER  476 is missing expected H atoms. Skipping.
Residue VAL  477 is missing expected H atoms. Skipping.
Residue SER  478 is missing expected H atoms. Skipping.
Residue LEU  479 is missing expected H atoms. Skipping.
Residue VAL  480 is missing expected H atoms. Skipping.
Residue LEU  481 is missing expected H atoms. Skipping.
Residue VAL  482 is missing expected H atoms. Skipping.
Residue VAL  484 is missing expected H atoms. Skipping.
Residue VAL  485 is missing expected H atoms. Skipping.
Residue THR  486 is missing expected H atoms. Skipping.
Residue LEU  487 is missing expected H atoms. Skipping.
Residue TYR  488 is missing expected H atoms. Skipping.
Residue LEU  489 is missing expected H atoms. Skipping.
Residue VAL  491 is missing expected H atoms. Skipping.
Residue MET  492 is missing expected H atoms. Skipping.
Residue VAL  493 is missing expected H atoms. Skipping.
Residue VAL    2 is missing expected H atoms. Skipping.
Residue ALA    3 is missing expected H atoms. Skipping.
Residue LEU    4 is missing expected H atoms. Skipping.
Residue VAL    5 is missing expected H atoms. Skipping.
Residue VAL    8 is missing expected H atoms. Skipping.
Residue MET   10 is missing expected H atoms. Skipping.
Residue LEU   12 is missing expected H atoms. Skipping.
Residue THR   14 is missing expected H atoms. Skipping.
Residue ALA   15 is missing expected H atoms. Skipping.
Residue THR   16 is missing expected H atoms. Skipping.
Residue THR   18 is missing expected H atoms. Skipping.
Residue MET   20 is missing expected H atoms. Skipping.
Residue SER   21 is missing expected H atoms. Skipping.
Residue SER   22 is missing expected H atoms. Skipping.
Residue ALA   25 is missing expected H atoms. Skipping.
Residue LYS   27 is missing expected H atoms. Skipping.
Residue ALA   29 is missing expected H atoms. Skipping.
Residue ILE   32 is missing expected H atoms. Skipping.
Residue THR   34 is missing expected H atoms. Skipping.
Residue ILE   36 is missing expected H atoms. Skipping.
Residue LEU   37 is missing expected H atoms. Skipping.
Residue THR   43 is missing expected H atoms. Skipping.
Residue ILE   44 is missing expected H atoms. Skipping.
Residue MET   45 is missing expected H atoms. Skipping.
Residue ALA   46 is missing expected H atoms. Skipping.
Residue ALA   47 is missing expected H atoms. Skipping.
Residue ILE   48 is missing expected H atoms. Skipping.
Residue LEU   49 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue TYR   51 is missing expected H atoms. Skipping.
Residue THR   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue THR   56 is missing expected H atoms. Skipping.
Residue ALA   61 is missing expected H atoms. Skipping.
Residue LEU   62 is missing expected H atoms. Skipping.
Residue ILE   63 is missing expected H atoms. Skipping.
Residue ILE   65 is missing expected H atoms. Skipping.
Residue LEU   66 is missing expected H atoms. Skipping.
Residue LEU   67 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue ALA   69 is missing expected H atoms. Skipping.
Residue VAL   70 is missing expected H atoms. Skipping.
Residue ALA   71 is missing expected H atoms. Skipping.
Residue ILE    4 is missing expected H atoms. Skipping.
Residue ILE    6 is missing expected H atoms. Skipping.
Residue SER    7 is missing expected H atoms. Skipping.
Residue VAL   12 is missing expected H atoms. Skipping.
Residue VAL   15 is missing expected H atoms. Skipping.
Residue SER   16 is missing expected H atoms. Skipping.
Residue SER   19 is missing expected H atoms. Skipping.
Residue VAL   21 is missing expected H atoms. Skipping.
Residue ILE   23 is missing expected H atoms. Skipping.
Residue VAL   24 is missing expected H atoms. Skipping.
Residue LEU   25 is missing expected H atoms. Skipping.
Residue SER   29 is missing expected H atoms. Skipping.
Residue VAL   31 is missing expected H atoms. Skipping.
Residue THR   32 is missing expected H atoms. Skipping.
Residue THR   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   35 is missing expected H atoms. Skipping.
Residue LYS   36 is missing expected H atoms. Skipping.
Residue LYS   38 is missing expected H atoms. Skipping.
Residue THR   40 is missing expected H atoms. Skipping.
Residue LEU   41 is missing expected H atoms. Skipping.
Residue LEU   45 is missing expected H atoms. Skipping.
Residue ILE   46 is missing expected H atoms. Skipping.
Residue THR   48 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue LYS   51 is missing expected H atoms. Skipping.
Residue ALA   54 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue LEU   56 is missing expected H atoms. Skipping.
Residue LYS   58 is missing expected H atoms. Skipping.
Residue TYR   59 is missing expected H atoms. Skipping.
Residue ILE   61 is missing expected H atoms. Skipping.
Residue ALA   63 is missing expected H atoms. Skipping.
Residue LYS   64 is missing expected H atoms. Skipping.
Residue LEU   65 is missing expected H atoms. Skipping.
Residue THR   66 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue THR   69 is missing expected H atoms. Skipping.
Residue THR   70 is missing expected H atoms. Skipping.
Residue SER   72 is missing expected H atoms. Skipping.
Residue THR   76 is missing expected H atoms. Skipping.
Residue SER   81 is missing expected H atoms. Skipping.
Residue LEU   82 is missing expected H atoms. Skipping.
Residue LYS   88 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue LYS   93 is missing expected H atoms. Skipping.
Residue SER   95 is missing expected H atoms. Skipping.
Residue MET   96 is missing expected H atoms. Skipping.
Residue VAL   97 is missing expected H atoms. Skipping.
Residue LEU  107 is missing expected H atoms. Skipping.
Residue LYS  110 is missing expected H atoms. Skipping.
Residue ILE  113 is missing expected H atoms. Skipping.
Residue VAL  114 is missing expected H atoms. Skipping.
Residue THR  115 is missing expected H atoms. Skipping.
Residue ALA  117 is missing expected H atoms. Skipping.
Residue MET  118 is missing expected H atoms. Skipping.
Residue THR  120 is missing expected H atoms. Skipping.
Residue LYS  122 is missing expected H atoms. Skipping.
Residue LYS  123 is missing expected H atoms. Skipping.
Residue MET  125 is missing expected H atoms. Skipping.
Residue LYS  126 is missing expected H atoms. Skipping.
Residue LYS  128 is missing expected H atoms. Skipping.
Residue VAL  129 is missing expected H atoms. Skipping.
Residue VAL  130 is missing expected H atoms. Skipping.
Residue LEU  135 is missing expected H atoms. Skipping.
Residue TYR  137 is missing expected H atoms. Skipping.
Residue THR  138 is missing expected H atoms. Skipping.
Residue ILE  139 is missing expected H atoms. Skipping.
Residue VAL  140 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue THR  142 is missing expected H atoms. Skipping.
Residue SER  145 is missing expected H atoms. Skipping.
Residue ALA  150 is missing expected H atoms. Skipping.
Residue VAL  151 is missing expected H atoms. Skipping.
Residue THR  155 is missing expected H atoms. Skipping.
Residue LYS  157 is missing expected H atoms. Skipping.
Residue LYS  160 is missing expected H atoms. Skipping.
Residue ILE  162 is missing expected H atoms. Skipping.
Residue LYS  163 is missing expected H atoms. Skipping.
Residue ILE  164 is missing expected H atoms. Skipping.
Residue THR  165 is missing expected H atoms. Skipping.
Residue SER  168 is missing expected H atoms. Skipping.
Residue SER  169 is missing expected H atoms. Skipping.
Residue ILE  170 is missing expected H atoms. Skipping.
Residue THR  171 is missing expected H atoms. Skipping.
Residue ALA  173 is missing expected H atoms. Skipping.
Residue LEU  175 is missing expected H atoms. Skipping.
Residue THR  176 is missing expected H atoms. Skipping.
Residue TYR  178 is missing expected H atoms. Skipping.
Residue THR  180 is missing expected H atoms. Skipping.
Residue VAL  181 is missing expected H atoms. Skipping.
Residue THR  182 is missing expected H atoms. Skipping.
Residue MET  183 is missing expected H atoms. Skipping.
Residue SER  186 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue LEU  191 is missing expected H atoms. Skipping.
Residue MET  196 is missing expected H atoms. Skipping.
Residue VAL  197 is missing expected H atoms. Skipping.
Residue LEU  198 is missing expected H atoms. Skipping.
Residue LEU  199 is missing expected H atoms. Skipping.
Residue MET  201 is missing expected H atoms. Skipping.
Residue LYS  204 is missing expected H atoms. Skipping.
Residue ALA  205 is missing expected H atoms. Skipping.
Residue LEU  207 is missing expected H atoms. Skipping.
Residue VAL  208 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue LEU  216 is missing expected H atoms. Skipping.
Residue LEU  218 is missing expected H atoms. Skipping.
Residue LEU  221 is missing expected H atoms. Skipping.
Residue ALA  224 is missing expected H atoms. Skipping.
Residue THR  226 is missing expected H atoms. Skipping.
Residue SER  229 is missing expected H atoms. Skipping.
Residue ILE  232 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue THR  236 is missing expected H atoms. Skipping.
Residue LEU  237 is missing expected H atoms. Skipping.
Residue VAL  238 is missing expected H atoms. Skipping.
Residue THR  239 is missing expected H atoms. Skipping.
Residue LYS  241 is missing expected H atoms. Skipping.
Residue ALA  245 is missing expected H atoms. Skipping.
Residue LYS  246 is missing expected H atoms. Skipping.
Residue LYS  247 is missing expected H atoms. Skipping.
Residue VAL  250 is missing expected H atoms. Skipping.
Residue VAL  251 is missing expected H atoms. Skipping.
Residue VAL  252 is missing expected H atoms. Skipping.
Residue LEU  253 is missing expected H atoms. Skipping.
Residue SER  255 is missing expected H atoms. Skipping.
Residue ALA  259 is missing expected H atoms. Skipping.
Residue MET  260 is missing expected H atoms. Skipping.
Residue THR  262 is missing expected H atoms. Skipping.
Residue ALA  263 is missing expected H atoms. Skipping.
Residue LEU  264 is missing expected H atoms. Skipping.
Residue THR  265 is missing expected H atoms. Skipping.
Residue ALA  267 is missing expected H atoms. Skipping.
Residue THR  268 is missing expected H atoms. Skipping.
Residue ILE  270 is missing expected H atoms. Skipping.
Residue MET  272 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue SER  274 is missing expected H atoms. Skipping.
Residue LEU  277 is missing expected H atoms. Skipping.
Residue LEU  278 is missing expected H atoms. Skipping.
Residue THR  280 is missing expected H atoms. Skipping.
Residue LEU  283 is missing expected H atoms. Skipping.
Residue LYS  284 is missing expected H atoms. Skipping.
Residue LEU  287 is missing expected H atoms. Skipping.
Residue MET  289 is missing expected H atoms. Skipping.
Residue LYS  291 is missing expected H atoms. Skipping.
Residue LEU  292 is missing expected H atoms. Skipping.
Residue LEU  294 is missing expected H atoms. Skipping.
Residue LYS  295 is missing expected H atoms. Skipping.
Residue MET  297 is missing expected H atoms. Skipping.
Residue SER  298 is missing expected H atoms. Skipping.
Residue TYR  299 is missing expected H atoms. Skipping.
Residue SER  300 is missing expected H atoms. Skipping.
Residue MET  301 is missing expected H atoms. Skipping.
Residue THR  303 is missing expected H atoms. Skipping.
Residue LYS  305 is missing expected H atoms. Skipping.
Residue LYS  307 is missing expected H atoms. Skipping.
Residue VAL  308 is missing expected H atoms. Skipping.
Residue VAL  309 is missing expected H atoms. Skipping.
Residue LYS  310 is missing expected H atoms. Skipping.
Residue ILE  312 is missing expected H atoms. Skipping.
Residue ALA  313 is missing expected H atoms. Skipping.
Residue THR  315 is missing expected H atoms. Skipping.
Residue THR  319 is missing expected H atoms. Skipping.
Residue ILE  320 is missing expected H atoms. Skipping.
Residue VAL  321 is missing expected H atoms. Skipping.
Residue ILE  322 is missing expected H atoms. Skipping.
Residue VAL  324 is missing expected H atoms. Skipping.
Residue TYR  326 is missing expected H atoms. Skipping.
Residue SER  331 is missing expected H atoms. Skipping.
Residue LYS  334 is missing expected H atoms. Skipping.
Residue ILE  335 is missing expected H atoms. Skipping.
Residue ILE  339 is missing expected H atoms. Skipping.
Residue MET  340 is missing expected H atoms. Skipping.
Residue LEU  342 is missing expected H atoms. Skipping.
Residue LYS  344 is missing expected H atoms. Skipping.
Residue VAL  347 is missing expected H atoms. Skipping.
Residue LEU  348 is missing expected H atoms. Skipping.
Residue LEU  351 is missing expected H atoms. Skipping.
Residue ILE  352 is missing expected H atoms. Skipping.
Residue THR  353 is missing expected H atoms. Skipping.
Residue VAL  354 is missing expected H atoms. Skipping.
Residue ILE  357 is missing expected H atoms. Skipping.
Residue VAL  358 is missing expected H atoms. Skipping.
Residue THR  359 is missing expected H atoms. Skipping.
Residue LYS  361 is missing expected H atoms. Skipping.
Residue SER  363 is missing expected H atoms. Skipping.
Residue VAL  365 is missing expected H atoms. Skipping.
Residue ILE  367 is missing expected H atoms. Skipping.
Residue ALA  369 is missing expected H atoms. Skipping.
Residue SER  376 is missing expected H atoms. Skipping.
Residue TYR  377 is missing expected H atoms. Skipping.
Residue ILE  378 is missing expected H atoms. Skipping.
Residue ILE  379 is missing expected H atoms. Skipping.
Residue ILE  380 is missing expected H atoms. Skipping.
Residue VAL  382 is missing expected H atoms. Skipping.
Residue LEU  387 is missing expected H atoms. Skipping.
Residue LYS  388 is missing expected H atoms. Skipping.
Residue LEU  389 is missing expected H atoms. Skipping.
Residue LYS  393 is missing expected H atoms. Skipping.
Residue LYS  394 is missing expected H atoms. Skipping.
Residue SER  396 is missing expected H atoms. Skipping.
Residue SER  397 is missing expected H atoms. Skipping.
Residue ILE  398 is missing expected H atoms. Skipping.
Residue MET  401 is missing expected H atoms. Skipping.
Residue ILE  402 is missing expected H atoms. Skipping.
Residue THR  404 is missing expected H atoms. Skipping.
Residue THR  405 is missing expected H atoms. Skipping.
Residue MET  406 is missing expected H atoms. Skipping.
Residue ALA  409 is missing expected H atoms. Skipping.
Residue LYS  410 is missing expected H atoms. Skipping.
Residue MET  412 is missing expected H atoms. Skipping.
Residue ALA  413 is missing expected H atoms. Skipping.
Residue ILE  414 is missing expected H atoms. Skipping.
Residue LEU  415 is missing expected H atoms. Skipping.
Residue THR  418 is missing expected H atoms. Skipping.
Residue ALA  419 is missing expected H atoms. Skipping.
Residue SER  424 is missing expected H atoms. Skipping.
Residue LEU  425 is missing expected H atoms. Skipping.
Residue VAL  428 is missing expected H atoms. Skipping.
Residue THR  430 is missing expected H atoms. Skipping.
Residue SER  431 is missing expected H atoms. Skipping.
Residue ILE  432 is missing expected H atoms. Skipping.
Residue LYS  434 is missing expected H atoms. Skipping.
Residue ALA  435 is missing expected H atoms. Skipping.
Residue LEU  436 is missing expected H atoms. Skipping.
Residue VAL  439 is missing expected H atoms. Skipping.
Residue ALA  442 is missing expected H atoms. Skipping.
Residue ILE  443 is missing expected H atoms. Skipping.
Residue TYR  444 is missing expected H atoms. Skipping.
Residue ALA  446 is missing expected H atoms. Skipping.
Residue ALA  447 is missing expected H atoms. Skipping.
Residue SER  449 is missing expected H atoms. Skipping.
Residue VAL  451 is missing expected H atoms. Skipping.
Residue SER  452 is missing expected H atoms. Skipping.
Residue ILE  454 is missing expected H atoms. Skipping.
Residue MET  455 is missing expected H atoms. Skipping.
Residue LYS  456 is missing expected H atoms. Skipping.
Residue ILE  457 is missing expected H atoms. Skipping.
Residue LEU  458 is missing expected H atoms. Skipping.
Residue ILE  459 is missing expected H atoms. Skipping.
Residue VAL  461 is missing expected H atoms. Skipping.
Residue ILE  462 is missing expected H atoms. Skipping.
Residue ILE  463 is missing expected H atoms. Skipping.
Residue THR  464 is missing expected H atoms. Skipping.
Residue ILE  466 is missing expected H atoms. Skipping.
Residue MET  468 is missing expected H atoms. Skipping.
Residue SER  470 is missing expected H atoms. Skipping.
Residue SER  472 is missing expected H atoms. Skipping.
Residue THR  473 is missing expected H atoms. Skipping.
Residue SER  474 is missing expected H atoms. Skipping.
Residue LEU  475 is missing expected H atoms. Skipping.
Residue SER  476 is missing expected H atoms. Skipping.
Residue VAL  477 is missing expected H atoms. Skipping.
Residue SER  478 is missing expected H atoms. Skipping.
Residue LEU  479 is missing expected H atoms. Skipping.
Residue VAL  480 is missing expected H atoms. Skipping.
Residue LEU  481 is missing expected H atoms. Skipping.
Residue VAL  482 is missing expected H atoms. Skipping.
Residue VAL  484 is missing expected H atoms. Skipping.
Residue VAL  485 is missing expected H atoms. Skipping.
Residue THR  486 is missing expected H atoms. Skipping.
Residue LEU  487 is missing expected H atoms. Skipping.
Residue TYR  488 is missing expected H atoms. Skipping.
Residue LEU  489 is missing expected H atoms. Skipping.
Residue VAL  491 is missing expected H atoms. Skipping.
Residue MET  492 is missing expected H atoms. Skipping.
Residue VAL  493 is missing expected H atoms. Skipping.
Residue VAL    2 is missing expected H atoms. Skipping.
Residue ALA    3 is missing expected H atoms. Skipping.
Residue LEU    4 is missing expected H atoms. Skipping.
Residue VAL    5 is missing expected H atoms. Skipping.
Residue VAL    8 is missing expected H atoms. Skipping.
Residue MET   10 is missing expected H atoms. Skipping.
Residue LEU   12 is missing expected H atoms. Skipping.
Residue THR   14 is missing expected H atoms. Skipping.
Residue ALA   15 is missing expected H atoms. Skipping.
Residue THR   16 is missing expected H atoms. Skipping.
Residue THR   18 is missing expected H atoms. Skipping.
Residue MET   20 is missing expected H atoms. Skipping.
Residue SER   21 is missing expected H atoms. Skipping.
Residue SER   22 is missing expected H atoms. Skipping.
Residue ALA   25 is missing expected H atoms. Skipping.
Residue LYS   27 is missing expected H atoms. Skipping.
Residue ALA   29 is missing expected H atoms. Skipping.
Residue ILE   32 is missing expected H atoms. Skipping.
Residue THR   34 is missing expected H atoms. Skipping.
Residue ILE   36 is missing expected H atoms. Skipping.
Residue LEU   37 is missing expected H atoms. Skipping.
Residue THR   43 is missing expected H atoms. Skipping.
Residue ILE   44 is missing expected H atoms. Skipping.
Residue MET   45 is missing expected H atoms. Skipping.
Residue ALA   46 is missing expected H atoms. Skipping.
Residue ALA   47 is missing expected H atoms. Skipping.
Residue ILE   48 is missing expected H atoms. Skipping.
Residue LEU   49 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue TYR   51 is missing expected H atoms. Skipping.
Residue THR   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue THR   56 is missing expected H atoms. Skipping.
Residue ALA   61 is missing expected H atoms. Skipping.
Residue LEU   62 is missing expected H atoms. Skipping.
Residue ILE   63 is missing expected H atoms. Skipping.
Residue ILE   65 is missing expected H atoms. Skipping.
Residue LEU   66 is missing expected H atoms. Skipping.
Residue LEU   67 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue ALA   69 is missing expected H atoms. Skipping.
Residue VAL   70 is missing expected H atoms. Skipping.
Residue ALA   71 is missing expected H atoms. Skipping.
Evaluate side-chains
  450 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 166
    poor density    : 284
  time to evaluate  : 1.004 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
REVERT: A   98 ASP cc_start: 0.8383 (OUTLIER) cc_final: 0.8028 (m-30)
REVERT: A  122 LYS cc_start: 0.8232 (OUTLIER) cc_final: 0.7849 (mtmt)
REVERT: A  135 LEU cc_start: 0.8710 (OUTLIER) cc_final: 0.8368 (tm)
REVERT: A  157 LYS cc_start: 0.7867 (OUTLIER) cc_final: 0.7388 (ptmt)
REVERT: A  161 GLU cc_start: 0.7834 (mt-10) cc_final: 0.7619 (pm20)
REVERT: A  169 SER cc_start: 0.7409 (t) cc_final: 0.7199 (p)
REVERT: A  247 LYS cc_start: 0.7944 (OUTLIER) cc_final: 0.7537 (mmmt)
REVERT: A  277 LEU cc_start: 0.8801 (OUTLIER) cc_final: 0.8067 (pt)
REVERT: A  301 MET cc_start: 0.6657 (mtt) cc_final: 0.6199 (mtt)
REVERT: A  323 ARG cc_start: 0.7121 (OUTLIER) cc_final: 0.6818 (tpp-160)
REVERT: A  422 PHE cc_start: 0.7200 (OUTLIER) cc_final: 0.5495 (t80)
REVERT: A  438 GLN cc_start: 0.7549 (OUTLIER) cc_final: 0.7134 (tt0)
REVERT: A  443 ILE cc_start: 0.7873 (tp) cc_final: 0.7526 (tt)
REVERT: B   26 TRP cc_start: 0.6840 (OUTLIER) cc_final: 0.6166 (m100)
REVERT: B   27 LYS cc_start: 0.7410 (ttpp) cc_final: 0.7153 (mtpt)
REVERT: B   31 ARG cc_start: 0.7760 (ppt-90) cc_final: 0.7162 (ttp80)
REVERT: B   32 ILE cc_start: 0.7739 (OUTLIER) cc_final: 0.7373 (tt)
REVERT: C   64 LYS cc_start: 0.6577 (OUTLIER) cc_final: 0.6001 (ptmt)
REVERT: C   73 ARG cc_start: 0.6681 (tpt-90) cc_final: 0.6059 (ttm-80)
REVERT: C  122 LYS cc_start: 0.8158 (OUTLIER) cc_final: 0.7692 (mtmt)
REVERT: C  157 LYS cc_start: 0.7679 (OUTLIER) cc_final: 0.6986 (ptmt)
REVERT: C  161 GLU cc_start: 0.7868 (mt-10) cc_final: 0.7625 (pm20)
REVERT: C  195 GLU cc_start: 0.7608 (mm-30) cc_final: 0.7315 (tm-30)
REVERT: C  198 LEU cc_start: 0.8594 (OUTLIER) cc_final: 0.8350 (mm)
REVERT: C  220 TRP cc_start: 0.8183 (OUTLIER) cc_final: 0.6427 (p90)
REVERT: C  244 HIS cc_start: 0.7682 (OUTLIER) cc_final: 0.5782 (m-70)
REVERT: C  247 LYS cc_start: 0.7797 (OUTLIER) cc_final: 0.7225 (mmmt)
REVERT: C  269 GLU cc_start: 0.8359 (tt0) cc_final: 0.8073 (pm20)
REVERT: C  277 LEU cc_start: 0.8821 (OUTLIER) cc_final: 0.8151 (pt)
REVERT: C  295 LYS cc_start: 0.7976 (OUTLIER) cc_final: 0.7657 (ttmm)
REVERT: C  314 GLU cc_start: 0.7729 (pt0) cc_final: 0.7154 (tt0)
REVERT: C  323 ARG cc_start: 0.7132 (OUTLIER) cc_final: 0.6739 (tpp-160)
REVERT: C  344 LYS cc_start: 0.4392 (mmtt) cc_final: 0.4056 (mmtt)
REVERT: C  388 LYS cc_start: 0.7929 (OUTLIER) cc_final: 0.7022 (ttmt)
REVERT: C  402 ILE cc_start: 0.8024 (OUTLIER) cc_final: 0.7510 (mm)
REVERT: C  434 LYS cc_start: 0.7453 (OUTLIER) cc_final: 0.6970 (ttmm)
REVERT: C  438 GLN cc_start: 0.7477 (OUTLIER) cc_final: 0.7223 (tt0)
REVERT: D   26 TRP cc_start: 0.6968 (OUTLIER) cc_final: 0.6242 (m100)
REVERT: D   32 ILE cc_start: 0.7693 (OUTLIER) cc_final: 0.7400 (tt)
  outliers start: 166
  outliers final: 100
  residues processed: 391
  average time/residue: 0.2231
  time to fit residues: 120.5483
Evaluate side-chains
  386 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 127
    poor density    : 259
  time to evaluate  : 1.103 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue    1 MET
Chi-restraints excluded: chain A residue   10 ASP
Chi-restraints excluded: chain A residue   20 TRP
Chi-restraints excluded: chain A residue   25 LEU
Chi-restraints excluded: chain A residue   45 LEU
Chi-restraints excluded: chain A residue   46 ILE
Chi-restraints excluded: chain A residue   58 LYS
Chi-restraints excluded: chain A residue   61 ILE
Chi-restraints excluded: chain A residue   65 LEU
Chi-restraints excluded: chain A residue   98 ASP
Chi-restraints excluded: chain A residue  113 ILE
Chi-restraints excluded: chain A residue  116 CYS
Chi-restraints excluded: chain A residue  122 LYS
Chi-restraints excluded: chain A residue  125 MET
Chi-restraints excluded: chain A residue  126 LYS
Chi-restraints excluded: chain A residue  135 LEU
Chi-restraints excluded: chain A residue  141 ILE
Chi-restraints excluded: chain A residue  157 LYS
Chi-restraints excluded: chain A residue  158 HIS
Chi-restraints excluded: chain A residue  162 ILE
Chi-restraints excluded: chain A residue  164 ILE
Chi-restraints excluded: chain A residue  170 ILE
Chi-restraints excluded: chain A residue  174 GLU
Chi-restraints excluded: chain A residue  175 LEU
Chi-restraints excluded: chain A residue  180 THR
Chi-restraints excluded: chain A residue  196 MET
Chi-restraints excluded: chain A residue  207 LEU
Chi-restraints excluded: chain A residue  220 TRP
Chi-restraints excluded: chain A residue  240 PHE
Chi-restraints excluded: chain A residue  244 HIS
Chi-restraints excluded: chain A residue  247 LYS
Chi-restraints excluded: chain A residue  264 LEU
Chi-restraints excluded: chain A residue  270 ILE
Chi-restraints excluded: chain A residue  277 LEU
Chi-restraints excluded: chain A residue  280 THR
Chi-restraints excluded: chain A residue  297 MET
Chi-restraints excluded: chain A residue  299 TYR
Chi-restraints excluded: chain A residue  302 CYS
Chi-restraints excluded: chain A residue  312 ILE
Chi-restraints excluded: chain A residue  323 ARG
Chi-restraints excluded: chain A residue  335 ILE
Chi-restraints excluded: chain A residue  348 LEU
Chi-restraints excluded: chain A residue  351 LEU
Chi-restraints excluded: chain A residue  365 VAL
Chi-restraints excluded: chain A residue  389 LEU
Chi-restraints excluded: chain A residue  402 ILE
Chi-restraints excluded: chain A residue  422 PHE
Chi-restraints excluded: chain A residue  432 ILE
Chi-restraints excluded: chain A residue  438 GLN
Chi-restraints excluded: chain A residue  448 PHE
Chi-restraints excluded: chain A residue  451 VAL
Chi-restraints excluded: chain A residue  454 ILE
Chi-restraints excluded: chain A residue  457 ILE
Chi-restraints excluded: chain A residue  466 ILE
Chi-restraints excluded: chain A residue  484 VAL
Chi-restraints excluded: chain B residue   14 THR
Chi-restraints excluded: chain B residue   26 TRP
Chi-restraints excluded: chain B residue   32 ILE
Chi-restraints excluded: chain B residue   36 ILE
Chi-restraints excluded: chain B residue   37 LEU
Chi-restraints excluded: chain C residue   10 ASP
Chi-restraints excluded: chain C residue   20 TRP
Chi-restraints excluded: chain C residue   25 LEU
Chi-restraints excluded: chain C residue   45 LEU
Chi-restraints excluded: chain C residue   48 THR
Chi-restraints excluded: chain C residue   58 LYS
Chi-restraints excluded: chain C residue   61 ILE
Chi-restraints excluded: chain C residue   64 LYS
Chi-restraints excluded: chain C residue   65 LEU
Chi-restraints excluded: chain C residue   95 SER
Chi-restraints excluded: chain C residue   98 ASP
Chi-restraints excluded: chain C residue  107 LEU
Chi-restraints excluded: chain C residue  113 ILE
Chi-restraints excluded: chain C residue  116 CYS
Chi-restraints excluded: chain C residue  122 LYS
Chi-restraints excluded: chain C residue  125 MET
Chi-restraints excluded: chain C residue  126 LYS
Chi-restraints excluded: chain C residue  141 ILE
Chi-restraints excluded: chain C residue  157 LYS
Chi-restraints excluded: chain C residue  162 ILE
Chi-restraints excluded: chain C residue  164 ILE
Chi-restraints excluded: chain C residue  170 ILE
Chi-restraints excluded: chain C residue  175 LEU
Chi-restraints excluded: chain C residue  180 THR
Chi-restraints excluded: chain C residue  196 MET
Chi-restraints excluded: chain C residue  198 LEU
Chi-restraints excluded: chain C residue  211 GLN
Chi-restraints excluded: chain C residue  220 TRP
Chi-restraints excluded: chain C residue  240 PHE
Chi-restraints excluded: chain C residue  244 HIS
Chi-restraints excluded: chain C residue  247 LYS
Chi-restraints excluded: chain C residue  249 ASP
Chi-restraints excluded: chain C residue  264 LEU
Chi-restraints excluded: chain C residue  270 ILE
Chi-restraints excluded: chain C residue  277 LEU
Chi-restraints excluded: chain C residue  280 THR
Chi-restraints excluded: chain C residue  283 LEU
Chi-restraints excluded: chain C residue  295 LYS
Chi-restraints excluded: chain C residue  299 TYR
Chi-restraints excluded: chain C residue  302 CYS
Chi-restraints excluded: chain C residue  303 THR
Chi-restraints excluded: chain C residue  311 GLU
Chi-restraints excluded: chain C residue  312 ILE
Chi-restraints excluded: chain C residue  323 ARG
Chi-restraints excluded: chain C residue  351 LEU
Chi-restraints excluded: chain C residue  365 VAL
Chi-restraints excluded: chain C residue  388 LYS
Chi-restraints excluded: chain C residue  389 LEU
Chi-restraints excluded: chain C residue  402 ILE
Chi-restraints excluded: chain C residue  422 PHE
Chi-restraints excluded: chain C residue  432 ILE
Chi-restraints excluded: chain C residue  434 LYS
Chi-restraints excluded: chain C residue  438 GLN
Chi-restraints excluded: chain C residue  448 PHE
Chi-restraints excluded: chain C residue  451 VAL
Chi-restraints excluded: chain C residue  454 ILE
Chi-restraints excluded: chain C residue  457 ILE
Chi-restraints excluded: chain C residue  466 ILE
Chi-restraints excluded: chain C residue  481 LEU
Chi-restraints excluded: chain C residue  484 VAL
Chi-restraints excluded: chain D residue    2 VAL
Chi-restraints excluded: chain D residue   14 THR
Chi-restraints excluded: chain D residue   26 TRP
Chi-restraints excluded: chain D residue   32 ILE
Chi-restraints excluded: chain D residue   36 ILE
Chi-restraints excluded: chain D residue   37 LEU
Chi-restraints excluded: chain D residue   65 ILE
Rotamers are restrained with sigma=4.50
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 112
   random chunks:
   chunk 1 optimal weight:    0.7980
   chunk 85 optimal weight:    1.9990
   chunk 54 optimal weight:    9.9990
   chunk 4 optimal weight:   30.0000
   chunk 44 optimal weight:    0.9990
   chunk 64 optimal weight:    9.9990
   chunk 102 optimal weight:    4.9990
   chunk 56 optimal weight:    0.9990
   chunk 104 optimal weight:    5.9990
   chunk 51 optimal weight:   10.0000
   chunk 35 optimal weight:    3.9990
   overall best weight:    1.7588

-------------------------------------------------------------------------------
NQH flips
*********
Analyzing N/Q/H residues for possible flip corrections...

Flipped N/Q/H residues before XYZ refinement:
** A  27 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
A 167 GLN
A 203 ASN
A 276 ASN
** A 355 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
A 386 GLN
** B   7 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
C   8 ASN
** C  27 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
C 103 ASN
** C 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** C 158 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** C 276 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
C 316 GLN
** D   7 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** D  59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**

Total number of N/Q/H flips: 7

-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.3795 r_free = 0.3795 target = 0.151102 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 37)----------------|
| r_work = 0.3673 r_free = 0.3673 target = 0.141191 restraints weight = 21127.800|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 29)----------------|
| r_work = 0.3705 r_free = 0.3705 target = 0.143847 restraints weight = 10408.284|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 32)----------------|
| r_work = 0.3726 r_free = 0.3726 target = 0.145569 restraints weight = 6077.672|
|-----------------------------------------------------------------------------|
r_work (final): 0.3707
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7263
moved from start:          0.4236

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.003   0.041   8986  Z= 0.174
  Angle     :  0.812   9.711  12164  Z= 0.412
  Chirality :  0.044   0.272   1412
  Planarity :  0.005   0.045   1520
  Dihedral  : 13.049  88.979   1555
  Min Nonbonded Distance : 2.241

Molprobity Statistics.
  All-atom Clashscore : 71.26
  Ramachandran Plot:
    Outliers :  4.53 %
    Allowed  : 23.45 %
    Favored  : 72.02 %
  Rotamer:
    Outliers : 13.31 %
    Allowed  : 26.00 %
    Favored  : 60.69 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole: -5.96 (0.20), residues: 1126
  helix: -2.67 (0.24), residues: 298
  sheet: -2.90 (0.29), residues: 274
  loop : -5.45 (0.18), residues: 554

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.015   0.001   TRP A 220 
 HIS   0.006   0.001   HIS D   7 
 PHE   0.016   0.001   PHE B  64 
 TYR   0.010   0.001   TYR A 444 
 ARG   0.004   0.001   ARG C  99 

*********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************

-------------------------------------------------------------------------------
Update Rama plot phi/psi targets (oldfield only)
************************************************

  2252 Ramachandran restraints generated.
    1126 Oldfield, 0 Emsley, 1126 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  2252 Ramachandran restraints generated.
    1126 Oldfield, 0 Emsley, 1126 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Residue ILE    4 is missing expected H atoms. Skipping.
Residue ILE    6 is missing expected H atoms. Skipping.
Residue SER    7 is missing expected H atoms. Skipping.
Residue VAL   12 is missing expected H atoms. Skipping.
Residue VAL   15 is missing expected H atoms. Skipping.
Residue SER   16 is missing expected H atoms. Skipping.
Residue SER   19 is missing expected H atoms. Skipping.
Residue VAL   21 is missing expected H atoms. Skipping.
Residue ILE   23 is missing expected H atoms. Skipping.
Residue VAL   24 is missing expected H atoms. Skipping.
Residue LEU   25 is missing expected H atoms. Skipping.
Residue SER   29 is missing expected H atoms. Skipping.
Residue VAL   31 is missing expected H atoms. Skipping.
Residue THR   32 is missing expected H atoms. Skipping.
Residue THR   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   35 is missing expected H atoms. Skipping.
Residue LYS   36 is missing expected H atoms. Skipping.
Residue LYS   38 is missing expected H atoms. Skipping.
Residue THR   40 is missing expected H atoms. Skipping.
Residue LEU   41 is missing expected H atoms. Skipping.
Residue LEU   45 is missing expected H atoms. Skipping.
Residue ILE   46 is missing expected H atoms. Skipping.
Residue THR   48 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue LYS   51 is missing expected H atoms. Skipping.
Residue ALA   54 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue LEU   56 is missing expected H atoms. Skipping.
Residue LYS   58 is missing expected H atoms. Skipping.
Residue TYR   59 is missing expected H atoms. Skipping.
Residue ILE   61 is missing expected H atoms. Skipping.
Residue ALA   63 is missing expected H atoms. Skipping.
Residue LYS   64 is missing expected H atoms. Skipping.
Residue LEU   65 is missing expected H atoms. Skipping.
Residue THR   66 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue THR   69 is missing expected H atoms. Skipping.
Residue THR   70 is missing expected H atoms. Skipping.
Residue SER   72 is missing expected H atoms. Skipping.
Residue THR   76 is missing expected H atoms. Skipping.
Residue SER   81 is missing expected H atoms. Skipping.
Residue LEU   82 is missing expected H atoms. Skipping.
Residue LYS   88 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue LYS   93 is missing expected H atoms. Skipping.
Residue SER   95 is missing expected H atoms. Skipping.
Residue MET   96 is missing expected H atoms. Skipping.
Residue VAL   97 is missing expected H atoms. Skipping.
Residue LEU  107 is missing expected H atoms. Skipping.
Residue LYS  110 is missing expected H atoms. Skipping.
Residue ILE  113 is missing expected H atoms. Skipping.
Residue VAL  114 is missing expected H atoms. Skipping.
Residue THR  115 is missing expected H atoms. Skipping.
Residue ALA  117 is missing expected H atoms. Skipping.
Residue MET  118 is missing expected H atoms. Skipping.
Residue THR  120 is missing expected H atoms. Skipping.
Residue LYS  122 is missing expected H atoms. Skipping.
Residue LYS  123 is missing expected H atoms. Skipping.
Residue MET  125 is missing expected H atoms. Skipping.
Residue LYS  126 is missing expected H atoms. Skipping.
Residue LYS  128 is missing expected H atoms. Skipping.
Residue VAL  129 is missing expected H atoms. Skipping.
Residue VAL  130 is missing expected H atoms. Skipping.
Residue LEU  135 is missing expected H atoms. Skipping.
Residue TYR  137 is missing expected H atoms. Skipping.
Residue THR  138 is missing expected H atoms. Skipping.
Residue ILE  139 is missing expected H atoms. Skipping.
Residue VAL  140 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue THR  142 is missing expected H atoms. Skipping.
Residue SER  145 is missing expected H atoms. Skipping.
Residue ALA  150 is missing expected H atoms. Skipping.
Residue VAL  151 is missing expected H atoms. Skipping.
Residue THR  155 is missing expected H atoms. Skipping.
Residue LYS  157 is missing expected H atoms. Skipping.
Residue LYS  160 is missing expected H atoms. Skipping.
Residue ILE  162 is missing expected H atoms. Skipping.
Residue LYS  163 is missing expected H atoms. Skipping.
Residue ILE  164 is missing expected H atoms. Skipping.
Residue THR  165 is missing expected H atoms. Skipping.
Residue SER  168 is missing expected H atoms. Skipping.
Residue SER  169 is missing expected H atoms. Skipping.
Residue ILE  170 is missing expected H atoms. Skipping.
Residue THR  171 is missing expected H atoms. Skipping.
Residue ALA  173 is missing expected H atoms. Skipping.
Residue LEU  175 is missing expected H atoms. Skipping.
Residue THR  176 is missing expected H atoms. Skipping.
Residue TYR  178 is missing expected H atoms. Skipping.
Residue THR  180 is missing expected H atoms. Skipping.
Residue VAL  181 is missing expected H atoms. Skipping.
Residue THR  182 is missing expected H atoms. Skipping.
Residue MET  183 is missing expected H atoms. Skipping.
Residue SER  186 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue LEU  191 is missing expected H atoms. Skipping.
Residue MET  196 is missing expected H atoms. Skipping.
Residue VAL  197 is missing expected H atoms. Skipping.
Residue LEU  198 is missing expected H atoms. Skipping.
Residue LEU  199 is missing expected H atoms. Skipping.
Residue MET  201 is missing expected H atoms. Skipping.
Residue LYS  204 is missing expected H atoms. Skipping.
Residue ALA  205 is missing expected H atoms. Skipping.
Residue LEU  207 is missing expected H atoms. Skipping.
Residue VAL  208 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue LEU  216 is missing expected H atoms. Skipping.
Residue LEU  218 is missing expected H atoms. Skipping.
Residue LEU  221 is missing expected H atoms. Skipping.
Residue ALA  224 is missing expected H atoms. Skipping.
Residue THR  226 is missing expected H atoms. Skipping.
Residue SER  229 is missing expected H atoms. Skipping.
Residue ILE  232 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue THR  236 is missing expected H atoms. Skipping.
Residue LEU  237 is missing expected H atoms. Skipping.
Residue VAL  238 is missing expected H atoms. Skipping.
Residue THR  239 is missing expected H atoms. Skipping.
Residue LYS  241 is missing expected H atoms. Skipping.
Residue ALA  245 is missing expected H atoms. Skipping.
Residue LYS  246 is missing expected H atoms. Skipping.
Residue LYS  247 is missing expected H atoms. Skipping.
Residue VAL  250 is missing expected H atoms. Skipping.
Residue VAL  251 is missing expected H atoms. Skipping.
Residue VAL  252 is missing expected H atoms. Skipping.
Residue LEU  253 is missing expected H atoms. Skipping.
Residue SER  255 is missing expected H atoms. Skipping.
Residue ALA  259 is missing expected H atoms. Skipping.
Residue MET  260 is missing expected H atoms. Skipping.
Residue THR  262 is missing expected H atoms. Skipping.
Residue ALA  263 is missing expected H atoms. Skipping.
Residue LEU  264 is missing expected H atoms. Skipping.
Residue THR  265 is missing expected H atoms. Skipping.
Residue ALA  267 is missing expected H atoms. Skipping.
Residue THR  268 is missing expected H atoms. Skipping.
Residue ILE  270 is missing expected H atoms. Skipping.
Residue MET  272 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue SER  274 is missing expected H atoms. Skipping.
Residue LEU  277 is missing expected H atoms. Skipping.
Residue LEU  278 is missing expected H atoms. Skipping.
Residue THR  280 is missing expected H atoms. Skipping.
Residue LEU  283 is missing expected H atoms. Skipping.
Residue LYS  284 is missing expected H atoms. Skipping.
Residue LEU  287 is missing expected H atoms. Skipping.
Residue MET  289 is missing expected H atoms. Skipping.
Residue LYS  291 is missing expected H atoms. Skipping.
Residue LEU  292 is missing expected H atoms. Skipping.
Residue LEU  294 is missing expected H atoms. Skipping.
Residue LYS  295 is missing expected H atoms. Skipping.
Residue MET  297 is missing expected H atoms. Skipping.
Residue SER  298 is missing expected H atoms. Skipping.
Residue TYR  299 is missing expected H atoms. Skipping.
Residue SER  300 is missing expected H atoms. Skipping.
Residue MET  301 is missing expected H atoms. Skipping.
Residue THR  303 is missing expected H atoms. Skipping.
Residue LYS  305 is missing expected H atoms. Skipping.
Residue LYS  307 is missing expected H atoms. Skipping.
Residue VAL  308 is missing expected H atoms. Skipping.
Residue VAL  309 is missing expected H atoms. Skipping.
Residue LYS  310 is missing expected H atoms. Skipping.
Residue ILE  312 is missing expected H atoms. Skipping.
Residue ALA  313 is missing expected H atoms. Skipping.
Residue THR  315 is missing expected H atoms. Skipping.
Residue THR  319 is missing expected H atoms. Skipping.
Residue ILE  320 is missing expected H atoms. Skipping.
Residue VAL  321 is missing expected H atoms. Skipping.
Residue ILE  322 is missing expected H atoms. Skipping.
Residue VAL  324 is missing expected H atoms. Skipping.
Residue TYR  326 is missing expected H atoms. Skipping.
Residue SER  331 is missing expected H atoms. Skipping.
Residue LYS  334 is missing expected H atoms. Skipping.
Residue ILE  335 is missing expected H atoms. Skipping.
Residue ILE  339 is missing expected H atoms. Skipping.
Residue MET  340 is missing expected H atoms. Skipping.
Residue LEU  342 is missing expected H atoms. Skipping.
Residue LYS  344 is missing expected H atoms. Skipping.
Residue VAL  347 is missing expected H atoms. Skipping.
Residue LEU  348 is missing expected H atoms. Skipping.
Residue LEU  351 is missing expected H atoms. Skipping.
Residue ILE  352 is missing expected H atoms. Skipping.
Residue THR  353 is missing expected H atoms. Skipping.
Residue VAL  354 is missing expected H atoms. Skipping.
Residue ILE  357 is missing expected H atoms. Skipping.
Residue VAL  358 is missing expected H atoms. Skipping.
Residue THR  359 is missing expected H atoms. Skipping.
Residue LYS  361 is missing expected H atoms. Skipping.
Residue SER  363 is missing expected H atoms. Skipping.
Residue VAL  365 is missing expected H atoms. Skipping.
Residue ILE  367 is missing expected H atoms. Skipping.
Residue ALA  369 is missing expected H atoms. Skipping.
Residue SER  376 is missing expected H atoms. Skipping.
Residue TYR  377 is missing expected H atoms. Skipping.
Residue ILE  378 is missing expected H atoms. Skipping.
Residue ILE  379 is missing expected H atoms. Skipping.
Residue ILE  380 is missing expected H atoms. Skipping.
Residue VAL  382 is missing expected H atoms. Skipping.
Residue LEU  387 is missing expected H atoms. Skipping.
Residue LYS  388 is missing expected H atoms. Skipping.
Residue LEU  389 is missing expected H atoms. Skipping.
Residue LYS  393 is missing expected H atoms. Skipping.
Residue LYS  394 is missing expected H atoms. Skipping.
Residue SER  396 is missing expected H atoms. Skipping.
Residue SER  397 is missing expected H atoms. Skipping.
Residue ILE  398 is missing expected H atoms. Skipping.
Residue MET  401 is missing expected H atoms. Skipping.
Residue ILE  402 is missing expected H atoms. Skipping.
Residue THR  404 is missing expected H atoms. Skipping.
Residue THR  405 is missing expected H atoms. Skipping.
Residue MET  406 is missing expected H atoms. Skipping.
Residue ALA  409 is missing expected H atoms. Skipping.
Residue LYS  410 is missing expected H atoms. Skipping.
Residue MET  412 is missing expected H atoms. Skipping.
Residue ALA  413 is missing expected H atoms. Skipping.
Residue ILE  414 is missing expected H atoms. Skipping.
Residue LEU  415 is missing expected H atoms. Skipping.
Residue THR  418 is missing expected H atoms. Skipping.
Residue ALA  419 is missing expected H atoms. Skipping.
Residue SER  424 is missing expected H atoms. Skipping.
Residue LEU  425 is missing expected H atoms. Skipping.
Residue VAL  428 is missing expected H atoms. Skipping.
Residue THR  430 is missing expected H atoms. Skipping.
Residue SER  431 is missing expected H atoms. Skipping.
Residue ILE  432 is missing expected H atoms. Skipping.
Residue LYS  434 is missing expected H atoms. Skipping.
Residue ALA  435 is missing expected H atoms. Skipping.
Residue LEU  436 is missing expected H atoms. Skipping.
Residue VAL  439 is missing expected H atoms. Skipping.
Residue ALA  442 is missing expected H atoms. Skipping.
Residue ILE  443 is missing expected H atoms. Skipping.
Residue TYR  444 is missing expected H atoms. Skipping.
Residue ALA  446 is missing expected H atoms. Skipping.
Residue ALA  447 is missing expected H atoms. Skipping.
Residue SER  449 is missing expected H atoms. Skipping.
Residue VAL  451 is missing expected H atoms. Skipping.
Residue SER  452 is missing expected H atoms. Skipping.
Residue ILE  454 is missing expected H atoms. Skipping.
Residue MET  455 is missing expected H atoms. Skipping.
Residue LYS  456 is missing expected H atoms. Skipping.
Residue ILE  457 is missing expected H atoms. Skipping.
Residue LEU  458 is missing expected H atoms. Skipping.
Residue ILE  459 is missing expected H atoms. Skipping.
Residue VAL  461 is missing expected H atoms. Skipping.
Residue ILE  462 is missing expected H atoms. Skipping.
Residue ILE  463 is missing expected H atoms. Skipping.
Residue THR  464 is missing expected H atoms. Skipping.
Residue ILE  466 is missing expected H atoms. Skipping.
Residue MET  468 is missing expected H atoms. Skipping.
Residue SER  470 is missing expected H atoms. Skipping.
Residue SER  472 is missing expected H atoms. Skipping.
Residue THR  473 is missing expected H atoms. Skipping.
Residue SER  474 is missing expected H atoms. Skipping.
Residue LEU  475 is missing expected H atoms. Skipping.
Residue SER  476 is missing expected H atoms. Skipping.
Residue VAL  477 is missing expected H atoms. Skipping.
Residue SER  478 is missing expected H atoms. Skipping.
Residue LEU  479 is missing expected H atoms. Skipping.
Residue VAL  480 is missing expected H atoms. Skipping.
Residue LEU  481 is missing expected H atoms. Skipping.
Residue VAL  482 is missing expected H atoms. Skipping.
Residue VAL  484 is missing expected H atoms. Skipping.
Residue VAL  485 is missing expected H atoms. Skipping.
Residue THR  486 is missing expected H atoms. Skipping.
Residue LEU  487 is missing expected H atoms. Skipping.
Residue TYR  488 is missing expected H atoms. Skipping.
Residue LEU  489 is missing expected H atoms. Skipping.
Residue VAL  491 is missing expected H atoms. Skipping.
Residue MET  492 is missing expected H atoms. Skipping.
Residue VAL  493 is missing expected H atoms. Skipping.
Residue VAL    2 is missing expected H atoms. Skipping.
Residue ALA    3 is missing expected H atoms. Skipping.
Residue LEU    4 is missing expected H atoms. Skipping.
Residue VAL    5 is missing expected H atoms. Skipping.
Residue VAL    8 is missing expected H atoms. Skipping.
Residue MET   10 is missing expected H atoms. Skipping.
Residue LEU   12 is missing expected H atoms. Skipping.
Residue THR   14 is missing expected H atoms. Skipping.
Residue ALA   15 is missing expected H atoms. Skipping.
Residue THR   16 is missing expected H atoms. Skipping.
Residue THR   18 is missing expected H atoms. Skipping.
Residue MET   20 is missing expected H atoms. Skipping.
Residue SER   21 is missing expected H atoms. Skipping.
Residue SER   22 is missing expected H atoms. Skipping.
Residue ALA   25 is missing expected H atoms. Skipping.
Residue LYS   27 is missing expected H atoms. Skipping.
Residue ALA   29 is missing expected H atoms. Skipping.
Residue ILE   32 is missing expected H atoms. Skipping.
Residue THR   34 is missing expected H atoms. Skipping.
Residue ILE   36 is missing expected H atoms. Skipping.
Residue LEU   37 is missing expected H atoms. Skipping.
Residue THR   43 is missing expected H atoms. Skipping.
Residue ILE   44 is missing expected H atoms. Skipping.
Residue MET   45 is missing expected H atoms. Skipping.
Residue ALA   46 is missing expected H atoms. Skipping.
Residue ALA   47 is missing expected H atoms. Skipping.
Residue ILE   48 is missing expected H atoms. Skipping.
Residue LEU   49 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue TYR   51 is missing expected H atoms. Skipping.
Residue THR   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue THR   56 is missing expected H atoms. Skipping.
Residue ALA   61 is missing expected H atoms. Skipping.
Residue LEU   62 is missing expected H atoms. Skipping.
Residue ILE   63 is missing expected H atoms. Skipping.
Residue ILE   65 is missing expected H atoms. Skipping.
Residue LEU   66 is missing expected H atoms. Skipping.
Residue LEU   67 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue ALA   69 is missing expected H atoms. Skipping.
Residue VAL   70 is missing expected H atoms. Skipping.
Residue ALA   71 is missing expected H atoms. Skipping.
Residue ILE    4 is missing expected H atoms. Skipping.
Residue ILE    6 is missing expected H atoms. Skipping.
Residue SER    7 is missing expected H atoms. Skipping.
Residue VAL   12 is missing expected H atoms. Skipping.
Residue VAL   15 is missing expected H atoms. Skipping.
Residue SER   16 is missing expected H atoms. Skipping.
Residue SER   19 is missing expected H atoms. Skipping.
Residue VAL   21 is missing expected H atoms. Skipping.
Residue ILE   23 is missing expected H atoms. Skipping.
Residue VAL   24 is missing expected H atoms. Skipping.
Residue LEU   25 is missing expected H atoms. Skipping.
Residue SER   29 is missing expected H atoms. Skipping.
Residue VAL   31 is missing expected H atoms. Skipping.
Residue THR   32 is missing expected H atoms. Skipping.
Residue THR   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   35 is missing expected H atoms. Skipping.
Residue LYS   36 is missing expected H atoms. Skipping.
Residue LYS   38 is missing expected H atoms. Skipping.
Residue THR   40 is missing expected H atoms. Skipping.
Residue LEU   41 is missing expected H atoms. Skipping.
Residue LEU   45 is missing expected H atoms. Skipping.
Residue ILE   46 is missing expected H atoms. Skipping.
Residue THR   48 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue LYS   51 is missing expected H atoms. Skipping.
Residue ALA   54 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue LEU   56 is missing expected H atoms. Skipping.
Residue LYS   58 is missing expected H atoms. Skipping.
Residue TYR   59 is missing expected H atoms. Skipping.
Residue ILE   61 is missing expected H atoms. Skipping.
Residue ALA   63 is missing expected H atoms. Skipping.
Residue LYS   64 is missing expected H atoms. Skipping.
Residue LEU   65 is missing expected H atoms. Skipping.
Residue THR   66 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue THR   69 is missing expected H atoms. Skipping.
Residue THR   70 is missing expected H atoms. Skipping.
Residue SER   72 is missing expected H atoms. Skipping.
Residue THR   76 is missing expected H atoms. Skipping.
Residue SER   81 is missing expected H atoms. Skipping.
Residue LEU   82 is missing expected H atoms. Skipping.
Residue LYS   88 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue LYS   93 is missing expected H atoms. Skipping.
Residue SER   95 is missing expected H atoms. Skipping.
Residue MET   96 is missing expected H atoms. Skipping.
Residue VAL   97 is missing expected H atoms. Skipping.
Residue LEU  107 is missing expected H atoms. Skipping.
Residue LYS  110 is missing expected H atoms. Skipping.
Residue ILE  113 is missing expected H atoms. Skipping.
Residue VAL  114 is missing expected H atoms. Skipping.
Residue THR  115 is missing expected H atoms. Skipping.
Residue ALA  117 is missing expected H atoms. Skipping.
Residue MET  118 is missing expected H atoms. Skipping.
Residue THR  120 is missing expected H atoms. Skipping.
Residue LYS  122 is missing expected H atoms. Skipping.
Residue LYS  123 is missing expected H atoms. Skipping.
Residue MET  125 is missing expected H atoms. Skipping.
Residue LYS  126 is missing expected H atoms. Skipping.
Residue LYS  128 is missing expected H atoms. Skipping.
Residue VAL  129 is missing expected H atoms. Skipping.
Residue VAL  130 is missing expected H atoms. Skipping.
Residue LEU  135 is missing expected H atoms. Skipping.
Residue TYR  137 is missing expected H atoms. Skipping.
Residue THR  138 is missing expected H atoms. Skipping.
Residue ILE  139 is missing expected H atoms. Skipping.
Residue VAL  140 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue THR  142 is missing expected H atoms. Skipping.
Residue SER  145 is missing expected H atoms. Skipping.
Residue ALA  150 is missing expected H atoms. Skipping.
Residue VAL  151 is missing expected H atoms. Skipping.
Residue THR  155 is missing expected H atoms. Skipping.
Residue LYS  157 is missing expected H atoms. Skipping.
Residue LYS  160 is missing expected H atoms. Skipping.
Residue ILE  162 is missing expected H atoms. Skipping.
Residue LYS  163 is missing expected H atoms. Skipping.
Residue ILE  164 is missing expected H atoms. Skipping.
Residue THR  165 is missing expected H atoms. Skipping.
Residue SER  168 is missing expected H atoms. Skipping.
Residue SER  169 is missing expected H atoms. Skipping.
Residue ILE  170 is missing expected H atoms. Skipping.
Residue THR  171 is missing expected H atoms. Skipping.
Residue ALA  173 is missing expected H atoms. Skipping.
Residue LEU  175 is missing expected H atoms. Skipping.
Residue THR  176 is missing expected H atoms. Skipping.
Residue TYR  178 is missing expected H atoms. Skipping.
Residue THR  180 is missing expected H atoms. Skipping.
Residue VAL  181 is missing expected H atoms. Skipping.
Residue THR  182 is missing expected H atoms. Skipping.
Residue MET  183 is missing expected H atoms. Skipping.
Residue SER  186 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue LEU  191 is missing expected H atoms. Skipping.
Residue MET  196 is missing expected H atoms. Skipping.
Residue VAL  197 is missing expected H atoms. Skipping.
Residue LEU  198 is missing expected H atoms. Skipping.
Residue LEU  199 is missing expected H atoms. Skipping.
Residue MET  201 is missing expected H atoms. Skipping.
Residue LYS  204 is missing expected H atoms. Skipping.
Residue ALA  205 is missing expected H atoms. Skipping.
Residue LEU  207 is missing expected H atoms. Skipping.
Residue VAL  208 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue LEU  216 is missing expected H atoms. Skipping.
Residue LEU  218 is missing expected H atoms. Skipping.
Residue LEU  221 is missing expected H atoms. Skipping.
Residue ALA  224 is missing expected H atoms. Skipping.
Residue THR  226 is missing expected H atoms. Skipping.
Residue SER  229 is missing expected H atoms. Skipping.
Residue ILE  232 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue THR  236 is missing expected H atoms. Skipping.
Residue LEU  237 is missing expected H atoms. Skipping.
Residue VAL  238 is missing expected H atoms. Skipping.
Residue THR  239 is missing expected H atoms. Skipping.
Residue LYS  241 is missing expected H atoms. Skipping.
Residue ALA  245 is missing expected H atoms. Skipping.
Residue LYS  246 is missing expected H atoms. Skipping.
Residue LYS  247 is missing expected H atoms. Skipping.
Residue VAL  250 is missing expected H atoms. Skipping.
Residue VAL  251 is missing expected H atoms. Skipping.
Residue VAL  252 is missing expected H atoms. Skipping.
Residue LEU  253 is missing expected H atoms. Skipping.
Residue SER  255 is missing expected H atoms. Skipping.
Residue ALA  259 is missing expected H atoms. Skipping.
Residue MET  260 is missing expected H atoms. Skipping.
Residue THR  262 is missing expected H atoms. Skipping.
Residue ALA  263 is missing expected H atoms. Skipping.
Residue LEU  264 is missing expected H atoms. Skipping.
Residue THR  265 is missing expected H atoms. Skipping.
Residue ALA  267 is missing expected H atoms. Skipping.
Residue THR  268 is missing expected H atoms. Skipping.
Residue ILE  270 is missing expected H atoms. Skipping.
Residue MET  272 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue SER  274 is missing expected H atoms. Skipping.
Residue LEU  277 is missing expected H atoms. Skipping.
Residue LEU  278 is missing expected H atoms. Skipping.
Residue THR  280 is missing expected H atoms. Skipping.
Residue LEU  283 is missing expected H atoms. Skipping.
Residue LYS  284 is missing expected H atoms. Skipping.
Residue LEU  287 is missing expected H atoms. Skipping.
Residue MET  289 is missing expected H atoms. Skipping.
Residue LYS  291 is missing expected H atoms. Skipping.
Residue LEU  292 is missing expected H atoms. Skipping.
Residue LEU  294 is missing expected H atoms. Skipping.
Residue LYS  295 is missing expected H atoms. Skipping.
Residue MET  297 is missing expected H atoms. Skipping.
Residue SER  298 is missing expected H atoms. Skipping.
Residue TYR  299 is missing expected H atoms. Skipping.
Residue SER  300 is missing expected H atoms. Skipping.
Residue MET  301 is missing expected H atoms. Skipping.
Residue THR  303 is missing expected H atoms. Skipping.
Residue LYS  305 is missing expected H atoms. Skipping.
Residue LYS  307 is missing expected H atoms. Skipping.
Residue VAL  308 is missing expected H atoms. Skipping.
Residue VAL  309 is missing expected H atoms. Skipping.
Residue LYS  310 is missing expected H atoms. Skipping.
Residue ILE  312 is missing expected H atoms. Skipping.
Residue ALA  313 is missing expected H atoms. Skipping.
Residue THR  315 is missing expected H atoms. Skipping.
Residue THR  319 is missing expected H atoms. Skipping.
Residue ILE  320 is missing expected H atoms. Skipping.
Residue VAL  321 is missing expected H atoms. Skipping.
Residue ILE  322 is missing expected H atoms. Skipping.
Residue VAL  324 is missing expected H atoms. Skipping.
Residue TYR  326 is missing expected H atoms. Skipping.
Residue SER  331 is missing expected H atoms. Skipping.
Residue LYS  334 is missing expected H atoms. Skipping.
Residue ILE  335 is missing expected H atoms. Skipping.
Residue ILE  339 is missing expected H atoms. Skipping.
Residue MET  340 is missing expected H atoms. Skipping.
Residue LEU  342 is missing expected H atoms. Skipping.
Residue LYS  344 is missing expected H atoms. Skipping.
Residue VAL  347 is missing expected H atoms. Skipping.
Residue LEU  348 is missing expected H atoms. Skipping.
Residue LEU  351 is missing expected H atoms. Skipping.
Residue ILE  352 is missing expected H atoms. Skipping.
Residue THR  353 is missing expected H atoms. Skipping.
Residue VAL  354 is missing expected H atoms. Skipping.
Residue ILE  357 is missing expected H atoms. Skipping.
Residue VAL  358 is missing expected H atoms. Skipping.
Residue THR  359 is missing expected H atoms. Skipping.
Residue LYS  361 is missing expected H atoms. Skipping.
Residue SER  363 is missing expected H atoms. Skipping.
Residue VAL  365 is missing expected H atoms. Skipping.
Residue ILE  367 is missing expected H atoms. Skipping.
Residue ALA  369 is missing expected H atoms. Skipping.
Residue SER  376 is missing expected H atoms. Skipping.
Residue TYR  377 is missing expected H atoms. Skipping.
Residue ILE  378 is missing expected H atoms. Skipping.
Residue ILE  379 is missing expected H atoms. Skipping.
Residue ILE  380 is missing expected H atoms. Skipping.
Residue VAL  382 is missing expected H atoms. Skipping.
Residue LEU  387 is missing expected H atoms. Skipping.
Residue LYS  388 is missing expected H atoms. Skipping.
Residue LEU  389 is missing expected H atoms. Skipping.
Residue LYS  393 is missing expected H atoms. Skipping.
Residue LYS  394 is missing expected H atoms. Skipping.
Residue SER  396 is missing expected H atoms. Skipping.
Residue SER  397 is missing expected H atoms. Skipping.
Residue ILE  398 is missing expected H atoms. Skipping.
Residue MET  401 is missing expected H atoms. Skipping.
Residue ILE  402 is missing expected H atoms. Skipping.
Residue THR  404 is missing expected H atoms. Skipping.
Residue THR  405 is missing expected H atoms. Skipping.
Residue MET  406 is missing expected H atoms. Skipping.
Residue ALA  409 is missing expected H atoms. Skipping.
Residue LYS  410 is missing expected H atoms. Skipping.
Residue MET  412 is missing expected H atoms. Skipping.
Residue ALA  413 is missing expected H atoms. Skipping.
Residue ILE  414 is missing expected H atoms. Skipping.
Residue LEU  415 is missing expected H atoms. Skipping.
Residue THR  418 is missing expected H atoms. Skipping.
Residue ALA  419 is missing expected H atoms. Skipping.
Residue SER  424 is missing expected H atoms. Skipping.
Residue LEU  425 is missing expected H atoms. Skipping.
Residue VAL  428 is missing expected H atoms. Skipping.
Residue THR  430 is missing expected H atoms. Skipping.
Residue SER  431 is missing expected H atoms. Skipping.
Residue ILE  432 is missing expected H atoms. Skipping.
Residue LYS  434 is missing expected H atoms. Skipping.
Residue ALA  435 is missing expected H atoms. Skipping.
Residue LEU  436 is missing expected H atoms. Skipping.
Residue VAL  439 is missing expected H atoms. Skipping.
Residue ALA  442 is missing expected H atoms. Skipping.
Residue ILE  443 is missing expected H atoms. Skipping.
Residue TYR  444 is missing expected H atoms. Skipping.
Residue ALA  446 is missing expected H atoms. Skipping.
Residue ALA  447 is missing expected H atoms. Skipping.
Residue SER  449 is missing expected H atoms. Skipping.
Residue VAL  451 is missing expected H atoms. Skipping.
Residue SER  452 is missing expected H atoms. Skipping.
Residue ILE  454 is missing expected H atoms. Skipping.
Residue MET  455 is missing expected H atoms. Skipping.
Residue LYS  456 is missing expected H atoms. Skipping.
Residue ILE  457 is missing expected H atoms. Skipping.
Residue LEU  458 is missing expected H atoms. Skipping.
Residue ILE  459 is missing expected H atoms. Skipping.
Residue VAL  461 is missing expected H atoms. Skipping.
Residue ILE  462 is missing expected H atoms. Skipping.
Residue ILE  463 is missing expected H atoms. Skipping.
Residue THR  464 is missing expected H atoms. Skipping.
Residue ILE  466 is missing expected H atoms. Skipping.
Residue MET  468 is missing expected H atoms. Skipping.
Residue SER  470 is missing expected H atoms. Skipping.
Residue SER  472 is missing expected H atoms. Skipping.
Residue THR  473 is missing expected H atoms. Skipping.
Residue SER  474 is missing expected H atoms. Skipping.
Residue LEU  475 is missing expected H atoms. Skipping.
Residue SER  476 is missing expected H atoms. Skipping.
Residue VAL  477 is missing expected H atoms. Skipping.
Residue SER  478 is missing expected H atoms. Skipping.
Residue LEU  479 is missing expected H atoms. Skipping.
Residue VAL  480 is missing expected H atoms. Skipping.
Residue LEU  481 is missing expected H atoms. Skipping.
Residue VAL  482 is missing expected H atoms. Skipping.
Residue VAL  484 is missing expected H atoms. Skipping.
Residue VAL  485 is missing expected H atoms. Skipping.
Residue THR  486 is missing expected H atoms. Skipping.
Residue LEU  487 is missing expected H atoms. Skipping.
Residue TYR  488 is missing expected H atoms. Skipping.
Residue LEU  489 is missing expected H atoms. Skipping.
Residue VAL  491 is missing expected H atoms. Skipping.
Residue MET  492 is missing expected H atoms. Skipping.
Residue VAL  493 is missing expected H atoms. Skipping.
Residue VAL    2 is missing expected H atoms. Skipping.
Residue ALA    3 is missing expected H atoms. Skipping.
Residue LEU    4 is missing expected H atoms. Skipping.
Residue VAL    5 is missing expected H atoms. Skipping.
Residue VAL    8 is missing expected H atoms. Skipping.
Residue MET   10 is missing expected H atoms. Skipping.
Residue LEU   12 is missing expected H atoms. Skipping.
Residue THR   14 is missing expected H atoms. Skipping.
Residue ALA   15 is missing expected H atoms. Skipping.
Residue THR   16 is missing expected H atoms. Skipping.
Residue THR   18 is missing expected H atoms. Skipping.
Residue MET   20 is missing expected H atoms. Skipping.
Residue SER   21 is missing expected H atoms. Skipping.
Residue SER   22 is missing expected H atoms. Skipping.
Residue ALA   25 is missing expected H atoms. Skipping.
Residue LYS   27 is missing expected H atoms. Skipping.
Residue ALA   29 is missing expected H atoms. Skipping.
Residue ILE   32 is missing expected H atoms. Skipping.
Residue THR   34 is missing expected H atoms. Skipping.
Residue ILE   36 is missing expected H atoms. Skipping.
Residue LEU   37 is missing expected H atoms. Skipping.
Residue THR   43 is missing expected H atoms. Skipping.
Residue ILE   44 is missing expected H atoms. Skipping.
Residue MET   45 is missing expected H atoms. Skipping.
Residue ALA   46 is missing expected H atoms. Skipping.
Residue ALA   47 is missing expected H atoms. Skipping.
Residue ILE   48 is missing expected H atoms. Skipping.
Residue LEU   49 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue TYR   51 is missing expected H atoms. Skipping.
Residue THR   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue THR   56 is missing expected H atoms. Skipping.
Residue ALA   61 is missing expected H atoms. Skipping.
Residue LEU   62 is missing expected H atoms. Skipping.
Residue ILE   63 is missing expected H atoms. Skipping.
Residue ILE   65 is missing expected H atoms. Skipping.
Residue LEU   66 is missing expected H atoms. Skipping.
Residue LEU   67 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue ALA   69 is missing expected H atoms. Skipping.
Residue VAL   70 is missing expected H atoms. Skipping.
Residue ALA   71 is missing expected H atoms. Skipping.
Evaluate side-chains
  424 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 127
    poor density    : 297
  time to evaluate  : 1.055 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
REVERT: A   26 GLU cc_start: 0.6817 (pt0) cc_final: 0.6578 (pm20)
REVERT: A   43 PHE cc_start: 0.7717 (m-80) cc_final: 0.7410 (m-80)
REVERT: A   98 ASP cc_start: 0.8216 (OUTLIER) cc_final: 0.7902 (m-30)
REVERT: A  122 LYS cc_start: 0.8006 (OUTLIER) cc_final: 0.7759 (mtmt)
REVERT: A  125 MET cc_start: 0.7303 (OUTLIER) cc_final: 0.5852 (pmt)
REVERT: A  135 LEU cc_start: 0.8656 (OUTLIER) cc_final: 0.8325 (tm)
REVERT: A  157 LYS cc_start: 0.7790 (OUTLIER) cc_final: 0.7339 (ptmt)
REVERT: A  247 LYS cc_start: 0.7672 (OUTLIER) cc_final: 0.7202 (mmtt)
REVERT: A  277 LEU cc_start: 0.8668 (OUTLIER) cc_final: 0.8068 (pt)
REVERT: A  323 ARG cc_start: 0.7196 (OUTLIER) cc_final: 0.6903 (tpp-160)
REVERT: A  402 ILE cc_start: 0.7776 (OUTLIER) cc_final: 0.7234 (mm)
REVERT: A  422 PHE cc_start: 0.7137 (OUTLIER) cc_final: 0.5469 (t80)
REVERT: A  448 PHE cc_start: 0.7524 (OUTLIER) cc_final: 0.7299 (p90)
REVERT: A  464 THR cc_start: 0.8231 (t) cc_final: 0.7924 (m)
REVERT: A  471 ARG cc_start: 0.6624 (ttp-170) cc_final: 0.5616 (ptt-90)
REVERT: B   26 TRP cc_start: 0.6834 (OUTLIER) cc_final: 0.6551 (m100)
REVERT: B   27 LYS cc_start: 0.7204 (ttpp) cc_final: 0.6731 (tppt)
REVERT: B   31 ARG cc_start: 0.7669 (ppt-90) cc_final: 0.7379 (ttp80)
REVERT: B   32 ILE cc_start: 0.7636 (OUTLIER) cc_final: 0.7346 (tt)
REVERT: C   64 LYS cc_start: 0.6418 (OUTLIER) cc_final: 0.5861 (ptmt)
REVERT: C   65 LEU cc_start: 0.7176 (OUTLIER) cc_final: 0.6873 (mm)
REVERT: C   73 ARG cc_start: 0.6680 (tpt-90) cc_final: 0.6033 (ttm-80)
REVERT: C   98 ASP cc_start: 0.8416 (OUTLIER) cc_final: 0.8062 (m-30)
REVERT: C  122 LYS cc_start: 0.7850 (OUTLIER) cc_final: 0.7525 (mtmt)
REVERT: C  157 LYS cc_start: 0.7632 (OUTLIER) cc_final: 0.7116 (ptmt)
REVERT: C  198 LEU cc_start: 0.8549 (OUTLIER) cc_final: 0.8264 (mm)
REVERT: C  199 LEU cc_start: 0.8426 (OUTLIER) cc_final: 0.8207 (tp)
REVERT: C  201 MET cc_start: 0.6844 (tpt) cc_final: 0.6532 (tpt)
REVERT: C  244 HIS cc_start: 0.7718 (OUTLIER) cc_final: 0.5838 (m-70)
REVERT: C  247 LYS cc_start: 0.7822 (OUTLIER) cc_final: 0.7369 (mmtt)
REVERT: C  287 LEU cc_start: 0.7426 (tp) cc_final: 0.7226 (tp)
REVERT: C  323 ARG cc_start: 0.7192 (OUTLIER) cc_final: 0.6920 (tpp-160)
REVERT: C  402 ILE cc_start: 0.7874 (OUTLIER) cc_final: 0.7330 (mm)
REVERT: C  434 LYS cc_start: 0.7407 (OUTLIER) cc_final: 0.6835 (ttmm)
REVERT: C  468 MET cc_start: 0.5450 (tmm) cc_final: 0.5144 (tmm)
REVERT: C  471 ARG cc_start: 0.6560 (ttp-170) cc_final: 0.6011 (ttp-110)
REVERT: D   26 TRP cc_start: 0.6809 (OUTLIER) cc_final: 0.6349 (m100)
  outliers start: 127
  outliers final: 79
  residues processed: 368
  average time/residue: 0.2426
  time to fit residues: 123.9983
Evaluate side-chains
  366 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 105
    poor density    : 261
  time to evaluate  : 1.159 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue    1 MET
Chi-restraints excluded: chain A residue   20 TRP
Chi-restraints excluded: chain A residue   23 ILE
Chi-restraints excluded: chain A residue   25 LEU
Chi-restraints excluded: chain A residue   45 LEU
Chi-restraints excluded: chain A residue   58 LYS
Chi-restraints excluded: chain A residue   61 ILE
Chi-restraints excluded: chain A residue   65 LEU
Chi-restraints excluded: chain A residue   96 MET
Chi-restraints excluded: chain A residue   98 ASP
Chi-restraints excluded: chain A residue  113 ILE
Chi-restraints excluded: chain A residue  122 LYS
Chi-restraints excluded: chain A residue  125 MET
Chi-restraints excluded: chain A residue  126 LYS
Chi-restraints excluded: chain A residue  135 LEU
Chi-restraints excluded: chain A residue  141 ILE
Chi-restraints excluded: chain A residue  153 ASN
Chi-restraints excluded: chain A residue  157 LYS
Chi-restraints excluded: chain A residue  158 HIS
Chi-restraints excluded: chain A residue  162 ILE
Chi-restraints excluded: chain A residue  164 ILE
Chi-restraints excluded: chain A residue  170 ILE
Chi-restraints excluded: chain A residue  175 LEU
Chi-restraints excluded: chain A residue  196 MET
Chi-restraints excluded: chain A residue  207 LEU
Chi-restraints excluded: chain A residue  240 PHE
Chi-restraints excluded: chain A residue  244 HIS
Chi-restraints excluded: chain A residue  247 LYS
Chi-restraints excluded: chain A residue  276 ASN
Chi-restraints excluded: chain A residue  277 LEU
Chi-restraints excluded: chain A residue  280 THR
Chi-restraints excluded: chain A residue  299 TYR
Chi-restraints excluded: chain A residue  302 CYS
Chi-restraints excluded: chain A residue  312 ILE
Chi-restraints excluded: chain A residue  323 ARG
Chi-restraints excluded: chain A residue  335 ILE
Chi-restraints excluded: chain A residue  348 LEU
Chi-restraints excluded: chain A residue  351 LEU
Chi-restraints excluded: chain A residue  380 ILE
Chi-restraints excluded: chain A residue  402 ILE
Chi-restraints excluded: chain A residue  422 PHE
Chi-restraints excluded: chain A residue  432 ILE
Chi-restraints excluded: chain A residue  448 PHE
Chi-restraints excluded: chain A residue  454 ILE
Chi-restraints excluded: chain A residue  457 ILE
Chi-restraints excluded: chain A residue  466 ILE
Chi-restraints excluded: chain B residue   14 THR
Chi-restraints excluded: chain B residue   26 TRP
Chi-restraints excluded: chain B residue   32 ILE
Chi-restraints excluded: chain B residue   36 ILE
Chi-restraints excluded: chain B residue   37 LEU
Chi-restraints excluded: chain B residue   59 GLN
Chi-restraints excluded: chain B residue   63 ILE
Chi-restraints excluded: chain B residue   67 LEU
Chi-restraints excluded: chain C residue   20 TRP
Chi-restraints excluded: chain C residue   25 LEU
Chi-restraints excluded: chain C residue   45 LEU
Chi-restraints excluded: chain C residue   48 THR
Chi-restraints excluded: chain C residue   58 LYS
Chi-restraints excluded: chain C residue   61 ILE
Chi-restraints excluded: chain C residue   64 LYS
Chi-restraints excluded: chain C residue   65 LEU
Chi-restraints excluded: chain C residue   69 THR
Chi-restraints excluded: chain C residue   71 ASP
Chi-restraints excluded: chain C residue   98 ASP
Chi-restraints excluded: chain C residue  113 ILE
Chi-restraints excluded: chain C residue  122 LYS
Chi-restraints excluded: chain C residue  125 MET
Chi-restraints excluded: chain C residue  126 LYS
Chi-restraints excluded: chain C residue  135 LEU
Chi-restraints excluded: chain C residue  141 ILE
Chi-restraints excluded: chain C residue  157 LYS
Chi-restraints excluded: chain C residue  158 HIS
Chi-restraints excluded: chain C residue  162 ILE
Chi-restraints excluded: chain C residue  164 ILE
Chi-restraints excluded: chain C residue  170 ILE
Chi-restraints excluded: chain C residue  196 MET
Chi-restraints excluded: chain C residue  198 LEU
Chi-restraints excluded: chain C residue  199 LEU
Chi-restraints excluded: chain C residue  240 PHE
Chi-restraints excluded: chain C residue  244 HIS
Chi-restraints excluded: chain C residue  247 LYS
Chi-restraints excluded: chain C residue  249 ASP
Chi-restraints excluded: chain C residue  280 THR
Chi-restraints excluded: chain C residue  299 TYR
Chi-restraints excluded: chain C residue  303 THR
Chi-restraints excluded: chain C residue  311 GLU
Chi-restraints excluded: chain C residue  312 ILE
Chi-restraints excluded: chain C residue  323 ARG
Chi-restraints excluded: chain C residue  335 ILE
Chi-restraints excluded: chain C residue  338 GLU
Chi-restraints excluded: chain C residue  351 LEU
Chi-restraints excluded: chain C residue  380 ILE
Chi-restraints excluded: chain C residue  389 LEU
Chi-restraints excluded: chain C residue  402 ILE
Chi-restraints excluded: chain C residue  422 PHE
Chi-restraints excluded: chain C residue  432 ILE
Chi-restraints excluded: chain C residue  434 LYS
Chi-restraints excluded: chain C residue  454 ILE
Chi-restraints excluded: chain C residue  457 ILE
Chi-restraints excluded: chain C residue  466 ILE
Chi-restraints excluded: chain D residue   14 THR
Chi-restraints excluded: chain D residue   26 TRP
Chi-restraints excluded: chain D residue   36 ILE
Chi-restraints excluded: chain D residue   37 LEU
Rotamers are restrained with sigma=4.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 112
   random chunks:
   chunk 11 optimal weight:   40.0000
   chunk 78 optimal weight:   30.0000
   chunk 70 optimal weight:   20.0000
   chunk 30 optimal weight:    0.8980
   chunk 45 optimal weight:   20.0000
   chunk 22 optimal weight:   40.0000
   chunk 29 optimal weight:    0.0770
   chunk 73 optimal weight:    0.0270
   chunk 18 optimal weight:   20.0000
   chunk 99 optimal weight:   30.0000
   chunk 106 optimal weight:    7.9990
   overall best weight:    5.8002

-------------------------------------------------------------------------------
NQH flips
*********
Analyzing N/Q/H residues for possible flip corrections...

Flipped N/Q/H residues before XYZ refinement:
** A  27 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
A 167 GLN
A 203 ASN
** A 355 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** B   7 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
C   8 ASN
** C  27 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** C 158 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
D   7 HIS
** D  59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**

Total number of N/Q/H flips: 4

-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.3750 r_free = 0.3750 target = 0.147204 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 31)----------------|
| r_work = 0.3626 r_free = 0.3626 target = 0.137184 restraints weight = 21437.233|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 34)----------------|
| r_work = 0.3658 r_free = 0.3658 target = 0.139814 restraints weight = 10550.848|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 54)----------------|
| r_work = 0.3680 r_free = 0.3680 target = 0.141582 restraints weight = 6188.627|
|-----------------------------------------------------------------------------|
r_work (final): 0.3677
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7310
moved from start:          0.4558

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.003   0.027   8986  Z= 0.222
  Angle     :  0.803   8.374  12164  Z= 0.405
  Chirality :  0.044   0.175   1412
  Planarity :  0.005   0.040   1520
  Dihedral  : 12.192  88.641   1503
  Min Nonbonded Distance : 2.247

Molprobity Statistics.
  All-atom Clashscore : 71.90
  Ramachandran Plot:
    Outliers :  4.26 %
    Allowed  : 23.71 %
    Favored  : 72.02 %
  Rotamer:
    Outliers : 14.05 %
    Allowed  : 26.10 %
    Favored  : 59.85 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.09 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole: -5.49 (0.21), residues: 1126
  helix: -2.06 (0.25), residues: 302
  sheet: -2.60 (0.30), residues: 272
  loop : -5.33 (0.18), residues: 552

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.020   0.002   TRP C 391 
 HIS   0.005   0.001   HIS A  27 
 PHE   0.015   0.002   PHE C 448 
 TYR   0.014   0.002   TYR A 444 
 ARG   0.003   0.001   ARG B  31 

*********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************

-------------------------------------------------------------------------------
Update Rama plot phi/psi targets (oldfield only)
************************************************

  2252 Ramachandran restraints generated.
    1126 Oldfield, 0 Emsley, 1126 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  2252 Ramachandran restraints generated.
    1126 Oldfield, 0 Emsley, 1126 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Residue ILE    4 is missing expected H atoms. Skipping.
Residue ILE    6 is missing expected H atoms. Skipping.
Residue SER    7 is missing expected H atoms. Skipping.
Residue VAL   12 is missing expected H atoms. Skipping.
Residue VAL   15 is missing expected H atoms. Skipping.
Residue SER   16 is missing expected H atoms. Skipping.
Residue SER   19 is missing expected H atoms. Skipping.
Residue VAL   21 is missing expected H atoms. Skipping.
Residue ILE   23 is missing expected H atoms. Skipping.
Residue VAL   24 is missing expected H atoms. Skipping.
Residue LEU   25 is missing expected H atoms. Skipping.
Residue SER   29 is missing expected H atoms. Skipping.
Residue VAL   31 is missing expected H atoms. Skipping.
Residue THR   32 is missing expected H atoms. Skipping.
Residue THR   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   35 is missing expected H atoms. Skipping.
Residue LYS   36 is missing expected H atoms. Skipping.
Residue LYS   38 is missing expected H atoms. Skipping.
Residue THR   40 is missing expected H atoms. Skipping.
Residue LEU   41 is missing expected H atoms. Skipping.
Residue LEU   45 is missing expected H atoms. Skipping.
Residue ILE   46 is missing expected H atoms. Skipping.
Residue THR   48 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue LYS   51 is missing expected H atoms. Skipping.
Residue ALA   54 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue LEU   56 is missing expected H atoms. Skipping.
Residue LYS   58 is missing expected H atoms. Skipping.
Residue TYR   59 is missing expected H atoms. Skipping.
Residue ILE   61 is missing expected H atoms. Skipping.
Residue ALA   63 is missing expected H atoms. Skipping.
Residue LYS   64 is missing expected H atoms. Skipping.
Residue LEU   65 is missing expected H atoms. Skipping.
Residue THR   66 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue THR   69 is missing expected H atoms. Skipping.
Residue THR   70 is missing expected H atoms. Skipping.
Residue SER   72 is missing expected H atoms. Skipping.
Residue THR   76 is missing expected H atoms. Skipping.
Residue SER   81 is missing expected H atoms. Skipping.
Residue LEU   82 is missing expected H atoms. Skipping.
Residue LYS   88 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue LYS   93 is missing expected H atoms. Skipping.
Residue SER   95 is missing expected H atoms. Skipping.
Residue MET   96 is missing expected H atoms. Skipping.
Residue VAL   97 is missing expected H atoms. Skipping.
Residue LEU  107 is missing expected H atoms. Skipping.
Residue LYS  110 is missing expected H atoms. Skipping.
Residue ILE  113 is missing expected H atoms. Skipping.
Residue VAL  114 is missing expected H atoms. Skipping.
Residue THR  115 is missing expected H atoms. Skipping.
Residue ALA  117 is missing expected H atoms. Skipping.
Residue MET  118 is missing expected H atoms. Skipping.
Residue THR  120 is missing expected H atoms. Skipping.
Residue LYS  122 is missing expected H atoms. Skipping.
Residue LYS  123 is missing expected H atoms. Skipping.
Residue MET  125 is missing expected H atoms. Skipping.
Residue LYS  126 is missing expected H atoms. Skipping.
Residue LYS  128 is missing expected H atoms. Skipping.
Residue VAL  129 is missing expected H atoms. Skipping.
Residue VAL  130 is missing expected H atoms. Skipping.
Residue LEU  135 is missing expected H atoms. Skipping.
Residue TYR  137 is missing expected H atoms. Skipping.
Residue THR  138 is missing expected H atoms. Skipping.
Residue ILE  139 is missing expected H atoms. Skipping.
Residue VAL  140 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue THR  142 is missing expected H atoms. Skipping.
Residue SER  145 is missing expected H atoms. Skipping.
Residue ALA  150 is missing expected H atoms. Skipping.
Residue VAL  151 is missing expected H atoms. Skipping.
Residue THR  155 is missing expected H atoms. Skipping.
Residue LYS  157 is missing expected H atoms. Skipping.
Residue LYS  160 is missing expected H atoms. Skipping.
Residue ILE  162 is missing expected H atoms. Skipping.
Residue LYS  163 is missing expected H atoms. Skipping.
Residue ILE  164 is missing expected H atoms. Skipping.
Residue THR  165 is missing expected H atoms. Skipping.
Residue SER  168 is missing expected H atoms. Skipping.
Residue SER  169 is missing expected H atoms. Skipping.
Residue ILE  170 is missing expected H atoms. Skipping.
Residue THR  171 is missing expected H atoms. Skipping.
Residue ALA  173 is missing expected H atoms. Skipping.
Residue LEU  175 is missing expected H atoms. Skipping.
Residue THR  176 is missing expected H atoms. Skipping.
Residue TYR  178 is missing expected H atoms. Skipping.
Residue THR  180 is missing expected H atoms. Skipping.
Residue VAL  181 is missing expected H atoms. Skipping.
Residue THR  182 is missing expected H atoms. Skipping.
Residue MET  183 is missing expected H atoms. Skipping.
Residue SER  186 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue LEU  191 is missing expected H atoms. Skipping.
Residue MET  196 is missing expected H atoms. Skipping.
Residue VAL  197 is missing expected H atoms. Skipping.
Residue LEU  198 is missing expected H atoms. Skipping.
Residue LEU  199 is missing expected H atoms. Skipping.
Residue MET  201 is missing expected H atoms. Skipping.
Residue LYS  204 is missing expected H atoms. Skipping.
Residue ALA  205 is missing expected H atoms. Skipping.
Residue LEU  207 is missing expected H atoms. Skipping.
Residue VAL  208 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue LEU  216 is missing expected H atoms. Skipping.
Residue LEU  218 is missing expected H atoms. Skipping.
Residue LEU  221 is missing expected H atoms. Skipping.
Residue ALA  224 is missing expected H atoms. Skipping.
Residue THR  226 is missing expected H atoms. Skipping.
Residue SER  229 is missing expected H atoms. Skipping.
Residue ILE  232 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue THR  236 is missing expected H atoms. Skipping.
Residue LEU  237 is missing expected H atoms. Skipping.
Residue VAL  238 is missing expected H atoms. Skipping.
Residue THR  239 is missing expected H atoms. Skipping.
Residue LYS  241 is missing expected H atoms. Skipping.
Residue ALA  245 is missing expected H atoms. Skipping.
Residue LYS  246 is missing expected H atoms. Skipping.
Residue LYS  247 is missing expected H atoms. Skipping.
Residue VAL  250 is missing expected H atoms. Skipping.
Residue VAL  251 is missing expected H atoms. Skipping.
Residue VAL  252 is missing expected H atoms. Skipping.
Residue LEU  253 is missing expected H atoms. Skipping.
Residue SER  255 is missing expected H atoms. Skipping.
Residue ALA  259 is missing expected H atoms. Skipping.
Residue MET  260 is missing expected H atoms. Skipping.
Residue THR  262 is missing expected H atoms. Skipping.
Residue ALA  263 is missing expected H atoms. Skipping.
Residue LEU  264 is missing expected H atoms. Skipping.
Residue THR  265 is missing expected H atoms. Skipping.
Residue ALA  267 is missing expected H atoms. Skipping.
Residue THR  268 is missing expected H atoms. Skipping.
Residue ILE  270 is missing expected H atoms. Skipping.
Residue MET  272 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue SER  274 is missing expected H atoms. Skipping.
Residue LEU  277 is missing expected H atoms. Skipping.
Residue LEU  278 is missing expected H atoms. Skipping.
Residue THR  280 is missing expected H atoms. Skipping.
Residue LEU  283 is missing expected H atoms. Skipping.
Residue LYS  284 is missing expected H atoms. Skipping.
Residue LEU  287 is missing expected H atoms. Skipping.
Residue MET  289 is missing expected H atoms. Skipping.
Residue LYS  291 is missing expected H atoms. Skipping.
Residue LEU  292 is missing expected H atoms. Skipping.
Residue LEU  294 is missing expected H atoms. Skipping.
Residue LYS  295 is missing expected H atoms. Skipping.
Residue MET  297 is missing expected H atoms. Skipping.
Residue SER  298 is missing expected H atoms. Skipping.
Residue TYR  299 is missing expected H atoms. Skipping.
Residue SER  300 is missing expected H atoms. Skipping.
Residue MET  301 is missing expected H atoms. Skipping.
Residue THR  303 is missing expected H atoms. Skipping.
Residue LYS  305 is missing expected H atoms. Skipping.
Residue LYS  307 is missing expected H atoms. Skipping.
Residue VAL  308 is missing expected H atoms. Skipping.
Residue VAL  309 is missing expected H atoms. Skipping.
Residue LYS  310 is missing expected H atoms. Skipping.
Residue ILE  312 is missing expected H atoms. Skipping.
Residue ALA  313 is missing expected H atoms. Skipping.
Residue THR  315 is missing expected H atoms. Skipping.
Residue THR  319 is missing expected H atoms. Skipping.
Residue ILE  320 is missing expected H atoms. Skipping.
Residue VAL  321 is missing expected H atoms. Skipping.
Residue ILE  322 is missing expected H atoms. Skipping.
Residue VAL  324 is missing expected H atoms. Skipping.
Residue TYR  326 is missing expected H atoms. Skipping.
Residue SER  331 is missing expected H atoms. Skipping.
Residue LYS  334 is missing expected H atoms. Skipping.
Residue ILE  335 is missing expected H atoms. Skipping.
Residue ILE  339 is missing expected H atoms. Skipping.
Residue MET  340 is missing expected H atoms. Skipping.
Residue LEU  342 is missing expected H atoms. Skipping.
Residue LYS  344 is missing expected H atoms. Skipping.
Residue VAL  347 is missing expected H atoms. Skipping.
Residue LEU  348 is missing expected H atoms. Skipping.
Residue LEU  351 is missing expected H atoms. Skipping.
Residue ILE  352 is missing expected H atoms. Skipping.
Residue THR  353 is missing expected H atoms. Skipping.
Residue VAL  354 is missing expected H atoms. Skipping.
Residue ILE  357 is missing expected H atoms. Skipping.
Residue VAL  358 is missing expected H atoms. Skipping.
Residue THR  359 is missing expected H atoms. Skipping.
Residue LYS  361 is missing expected H atoms. Skipping.
Residue SER  363 is missing expected H atoms. Skipping.
Residue VAL  365 is missing expected H atoms. Skipping.
Residue ILE  367 is missing expected H atoms. Skipping.
Residue ALA  369 is missing expected H atoms. Skipping.
Residue SER  376 is missing expected H atoms. Skipping.
Residue TYR  377 is missing expected H atoms. Skipping.
Residue ILE  378 is missing expected H atoms. Skipping.
Residue ILE  379 is missing expected H atoms. Skipping.
Residue ILE  380 is missing expected H atoms. Skipping.
Residue VAL  382 is missing expected H atoms. Skipping.
Residue LEU  387 is missing expected H atoms. Skipping.
Residue LYS  388 is missing expected H atoms. Skipping.
Residue LEU  389 is missing expected H atoms. Skipping.
Residue LYS  393 is missing expected H atoms. Skipping.
Residue LYS  394 is missing expected H atoms. Skipping.
Residue SER  396 is missing expected H atoms. Skipping.
Residue SER  397 is missing expected H atoms. Skipping.
Residue ILE  398 is missing expected H atoms. Skipping.
Residue MET  401 is missing expected H atoms. Skipping.
Residue ILE  402 is missing expected H atoms. Skipping.
Residue THR  404 is missing expected H atoms. Skipping.
Residue THR  405 is missing expected H atoms. Skipping.
Residue MET  406 is missing expected H atoms. Skipping.
Residue ALA  409 is missing expected H atoms. Skipping.
Residue LYS  410 is missing expected H atoms. Skipping.
Residue MET  412 is missing expected H atoms. Skipping.
Residue ALA  413 is missing expected H atoms. Skipping.
Residue ILE  414 is missing expected H atoms. Skipping.
Residue LEU  415 is missing expected H atoms. Skipping.
Residue THR  418 is missing expected H atoms. Skipping.
Residue ALA  419 is missing expected H atoms. Skipping.
Residue SER  424 is missing expected H atoms. Skipping.
Residue LEU  425 is missing expected H atoms. Skipping.
Residue VAL  428 is missing expected H atoms. Skipping.
Residue THR  430 is missing expected H atoms. Skipping.
Residue SER  431 is missing expected H atoms. Skipping.
Residue ILE  432 is missing expected H atoms. Skipping.
Residue LYS  434 is missing expected H atoms. Skipping.
Residue ALA  435 is missing expected H atoms. Skipping.
Residue LEU  436 is missing expected H atoms. Skipping.
Residue VAL  439 is missing expected H atoms. Skipping.
Residue ALA  442 is missing expected H atoms. Skipping.
Residue ILE  443 is missing expected H atoms. Skipping.
Residue TYR  444 is missing expected H atoms. Skipping.
Residue ALA  446 is missing expected H atoms. Skipping.
Residue ALA  447 is missing expected H atoms. Skipping.
Residue SER  449 is missing expected H atoms. Skipping.
Residue VAL  451 is missing expected H atoms. Skipping.
Residue SER  452 is missing expected H atoms. Skipping.
Residue ILE  454 is missing expected H atoms. Skipping.
Residue MET  455 is missing expected H atoms. Skipping.
Residue LYS  456 is missing expected H atoms. Skipping.
Residue ILE  457 is missing expected H atoms. Skipping.
Residue LEU  458 is missing expected H atoms. Skipping.
Residue ILE  459 is missing expected H atoms. Skipping.
Residue VAL  461 is missing expected H atoms. Skipping.
Residue ILE  462 is missing expected H atoms. Skipping.
Residue ILE  463 is missing expected H atoms. Skipping.
Residue THR  464 is missing expected H atoms. Skipping.
Residue ILE  466 is missing expected H atoms. Skipping.
Residue MET  468 is missing expected H atoms. Skipping.
Residue SER  470 is missing expected H atoms. Skipping.
Residue SER  472 is missing expected H atoms. Skipping.
Residue THR  473 is missing expected H atoms. Skipping.
Residue SER  474 is missing expected H atoms. Skipping.
Residue LEU  475 is missing expected H atoms. Skipping.
Residue SER  476 is missing expected H atoms. Skipping.
Residue VAL  477 is missing expected H atoms. Skipping.
Residue SER  478 is missing expected H atoms. Skipping.
Residue LEU  479 is missing expected H atoms. Skipping.
Residue VAL  480 is missing expected H atoms. Skipping.
Residue LEU  481 is missing expected H atoms. Skipping.
Residue VAL  482 is missing expected H atoms. Skipping.
Residue VAL  484 is missing expected H atoms. Skipping.
Residue VAL  485 is missing expected H atoms. Skipping.
Residue THR  486 is missing expected H atoms. Skipping.
Residue LEU  487 is missing expected H atoms. Skipping.
Residue TYR  488 is missing expected H atoms. Skipping.
Residue LEU  489 is missing expected H atoms. Skipping.
Residue VAL  491 is missing expected H atoms. Skipping.
Residue MET  492 is missing expected H atoms. Skipping.
Residue VAL  493 is missing expected H atoms. Skipping.
Residue VAL    2 is missing expected H atoms. Skipping.
Residue ALA    3 is missing expected H atoms. Skipping.
Residue LEU    4 is missing expected H atoms. Skipping.
Residue VAL    5 is missing expected H atoms. Skipping.
Residue VAL    8 is missing expected H atoms. Skipping.
Residue MET   10 is missing expected H atoms. Skipping.
Residue LEU   12 is missing expected H atoms. Skipping.
Residue THR   14 is missing expected H atoms. Skipping.
Residue ALA   15 is missing expected H atoms. Skipping.
Residue THR   16 is missing expected H atoms. Skipping.
Residue THR   18 is missing expected H atoms. Skipping.
Residue MET   20 is missing expected H atoms. Skipping.
Residue SER   21 is missing expected H atoms. Skipping.
Residue SER   22 is missing expected H atoms. Skipping.
Residue ALA   25 is missing expected H atoms. Skipping.
Residue LYS   27 is missing expected H atoms. Skipping.
Residue ALA   29 is missing expected H atoms. Skipping.
Residue ILE   32 is missing expected H atoms. Skipping.
Residue THR   34 is missing expected H atoms. Skipping.
Residue ILE   36 is missing expected H atoms. Skipping.
Residue LEU   37 is missing expected H atoms. Skipping.
Residue THR   43 is missing expected H atoms. Skipping.
Residue ILE   44 is missing expected H atoms. Skipping.
Residue MET   45 is missing expected H atoms. Skipping.
Residue ALA   46 is missing expected H atoms. Skipping.
Residue ALA   47 is missing expected H atoms. Skipping.
Residue ILE   48 is missing expected H atoms. Skipping.
Residue LEU   49 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue TYR   51 is missing expected H atoms. Skipping.
Residue THR   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue THR   56 is missing expected H atoms. Skipping.
Residue ALA   61 is missing expected H atoms. Skipping.
Residue LEU   62 is missing expected H atoms. Skipping.
Residue ILE   63 is missing expected H atoms. Skipping.
Residue ILE   65 is missing expected H atoms. Skipping.
Residue LEU   66 is missing expected H atoms. Skipping.
Residue LEU   67 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue ALA   69 is missing expected H atoms. Skipping.
Residue VAL   70 is missing expected H atoms. Skipping.
Residue ALA   71 is missing expected H atoms. Skipping.
Residue ILE    4 is missing expected H atoms. Skipping.
Residue ILE    6 is missing expected H atoms. Skipping.
Residue SER    7 is missing expected H atoms. Skipping.
Residue VAL   12 is missing expected H atoms. Skipping.
Residue VAL   15 is missing expected H atoms. Skipping.
Residue SER   16 is missing expected H atoms. Skipping.
Residue SER   19 is missing expected H atoms. Skipping.
Residue VAL   21 is missing expected H atoms. Skipping.
Residue ILE   23 is missing expected H atoms. Skipping.
Residue VAL   24 is missing expected H atoms. Skipping.
Residue LEU   25 is missing expected H atoms. Skipping.
Residue SER   29 is missing expected H atoms. Skipping.
Residue VAL   31 is missing expected H atoms. Skipping.
Residue THR   32 is missing expected H atoms. Skipping.
Residue THR   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   35 is missing expected H atoms. Skipping.
Residue LYS   36 is missing expected H atoms. Skipping.
Residue LYS   38 is missing expected H atoms. Skipping.
Residue THR   40 is missing expected H atoms. Skipping.
Residue LEU   41 is missing expected H atoms. Skipping.
Residue LEU   45 is missing expected H atoms. Skipping.
Residue ILE   46 is missing expected H atoms. Skipping.
Residue THR   48 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue LYS   51 is missing expected H atoms. Skipping.
Residue ALA   54 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue LEU   56 is missing expected H atoms. Skipping.
Residue LYS   58 is missing expected H atoms. Skipping.
Residue TYR   59 is missing expected H atoms. Skipping.
Residue ILE   61 is missing expected H atoms. Skipping.
Residue ALA   63 is missing expected H atoms. Skipping.
Residue LYS   64 is missing expected H atoms. Skipping.
Residue LEU   65 is missing expected H atoms. Skipping.
Residue THR   66 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue THR   69 is missing expected H atoms. Skipping.
Residue THR   70 is missing expected H atoms. Skipping.
Residue SER   72 is missing expected H atoms. Skipping.
Residue THR   76 is missing expected H atoms. Skipping.
Residue SER   81 is missing expected H atoms. Skipping.
Residue LEU   82 is missing expected H atoms. Skipping.
Residue LYS   88 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue LYS   93 is missing expected H atoms. Skipping.
Residue SER   95 is missing expected H atoms. Skipping.
Residue MET   96 is missing expected H atoms. Skipping.
Residue VAL   97 is missing expected H atoms. Skipping.
Residue LEU  107 is missing expected H atoms. Skipping.
Residue LYS  110 is missing expected H atoms. Skipping.
Residue ILE  113 is missing expected H atoms. Skipping.
Residue VAL  114 is missing expected H atoms. Skipping.
Residue THR  115 is missing expected H atoms. Skipping.
Residue ALA  117 is missing expected H atoms. Skipping.
Residue MET  118 is missing expected H atoms. Skipping.
Residue THR  120 is missing expected H atoms. Skipping.
Residue LYS  122 is missing expected H atoms. Skipping.
Residue LYS  123 is missing expected H atoms. Skipping.
Residue MET  125 is missing expected H atoms. Skipping.
Residue LYS  126 is missing expected H atoms. Skipping.
Residue LYS  128 is missing expected H atoms. Skipping.
Residue VAL  129 is missing expected H atoms. Skipping.
Residue VAL  130 is missing expected H atoms. Skipping.
Residue LEU  135 is missing expected H atoms. Skipping.
Residue TYR  137 is missing expected H atoms. Skipping.
Residue THR  138 is missing expected H atoms. Skipping.
Residue ILE  139 is missing expected H atoms. Skipping.
Residue VAL  140 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue THR  142 is missing expected H atoms. Skipping.
Residue SER  145 is missing expected H atoms. Skipping.
Residue ALA  150 is missing expected H atoms. Skipping.
Residue VAL  151 is missing expected H atoms. Skipping.
Residue THR  155 is missing expected H atoms. Skipping.
Residue LYS  157 is missing expected H atoms. Skipping.
Residue LYS  160 is missing expected H atoms. Skipping.
Residue ILE  162 is missing expected H atoms. Skipping.
Residue LYS  163 is missing expected H atoms. Skipping.
Residue ILE  164 is missing expected H atoms. Skipping.
Residue THR  165 is missing expected H atoms. Skipping.
Residue SER  168 is missing expected H atoms. Skipping.
Residue SER  169 is missing expected H atoms. Skipping.
Residue ILE  170 is missing expected H atoms. Skipping.
Residue THR  171 is missing expected H atoms. Skipping.
Residue ALA  173 is missing expected H atoms. Skipping.
Residue LEU  175 is missing expected H atoms. Skipping.
Residue THR  176 is missing expected H atoms. Skipping.
Residue TYR  178 is missing expected H atoms. Skipping.
Residue THR  180 is missing expected H atoms. Skipping.
Residue VAL  181 is missing expected H atoms. Skipping.
Residue THR  182 is missing expected H atoms. Skipping.
Residue MET  183 is missing expected H atoms. Skipping.
Residue SER  186 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue LEU  191 is missing expected H atoms. Skipping.
Residue MET  196 is missing expected H atoms. Skipping.
Residue VAL  197 is missing expected H atoms. Skipping.
Residue LEU  198 is missing expected H atoms. Skipping.
Residue LEU  199 is missing expected H atoms. Skipping.
Residue MET  201 is missing expected H atoms. Skipping.
Residue LYS  204 is missing expected H atoms. Skipping.
Residue ALA  205 is missing expected H atoms. Skipping.
Residue LEU  207 is missing expected H atoms. Skipping.
Residue VAL  208 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue LEU  216 is missing expected H atoms. Skipping.
Residue LEU  218 is missing expected H atoms. Skipping.
Residue LEU  221 is missing expected H atoms. Skipping.
Residue ALA  224 is missing expected H atoms. Skipping.
Residue THR  226 is missing expected H atoms. Skipping.
Residue SER  229 is missing expected H atoms. Skipping.
Residue ILE  232 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue THR  236 is missing expected H atoms. Skipping.
Residue LEU  237 is missing expected H atoms. Skipping.
Residue VAL  238 is missing expected H atoms. Skipping.
Residue THR  239 is missing expected H atoms. Skipping.
Residue LYS  241 is missing expected H atoms. Skipping.
Residue ALA  245 is missing expected H atoms. Skipping.
Residue LYS  246 is missing expected H atoms. Skipping.
Residue LYS  247 is missing expected H atoms. Skipping.
Residue VAL  250 is missing expected H atoms. Skipping.
Residue VAL  251 is missing expected H atoms. Skipping.
Residue VAL  252 is missing expected H atoms. Skipping.
Residue LEU  253 is missing expected H atoms. Skipping.
Residue SER  255 is missing expected H atoms. Skipping.
Residue ALA  259 is missing expected H atoms. Skipping.
Residue MET  260 is missing expected H atoms. Skipping.
Residue THR  262 is missing expected H atoms. Skipping.
Residue ALA  263 is missing expected H atoms. Skipping.
Residue LEU  264 is missing expected H atoms. Skipping.
Residue THR  265 is missing expected H atoms. Skipping.
Residue ALA  267 is missing expected H atoms. Skipping.
Residue THR  268 is missing expected H atoms. Skipping.
Residue ILE  270 is missing expected H atoms. Skipping.
Residue MET  272 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue SER  274 is missing expected H atoms. Skipping.
Residue LEU  277 is missing expected H atoms. Skipping.
Residue LEU  278 is missing expected H atoms. Skipping.
Residue THR  280 is missing expected H atoms. Skipping.
Residue LEU  283 is missing expected H atoms. Skipping.
Residue LYS  284 is missing expected H atoms. Skipping.
Residue LEU  287 is missing expected H atoms. Skipping.
Residue MET  289 is missing expected H atoms. Skipping.
Residue LYS  291 is missing expected H atoms. Skipping.
Residue LEU  292 is missing expected H atoms. Skipping.
Residue LEU  294 is missing expected H atoms. Skipping.
Residue LYS  295 is missing expected H atoms. Skipping.
Residue MET  297 is missing expected H atoms. Skipping.
Residue SER  298 is missing expected H atoms. Skipping.
Residue TYR  299 is missing expected H atoms. Skipping.
Residue SER  300 is missing expected H atoms. Skipping.
Residue MET  301 is missing expected H atoms. Skipping.
Residue THR  303 is missing expected H atoms. Skipping.
Residue LYS  305 is missing expected H atoms. Skipping.
Residue LYS  307 is missing expected H atoms. Skipping.
Residue VAL  308 is missing expected H atoms. Skipping.
Residue VAL  309 is missing expected H atoms. Skipping.
Residue LYS  310 is missing expected H atoms. Skipping.
Residue ILE  312 is missing expected H atoms. Skipping.
Residue ALA  313 is missing expected H atoms. Skipping.
Residue THR  315 is missing expected H atoms. Skipping.
Residue THR  319 is missing expected H atoms. Skipping.
Residue ILE  320 is missing expected H atoms. Skipping.
Residue VAL  321 is missing expected H atoms. Skipping.
Residue ILE  322 is missing expected H atoms. Skipping.
Residue VAL  324 is missing expected H atoms. Skipping.
Residue TYR  326 is missing expected H atoms. Skipping.
Residue SER  331 is missing expected H atoms. Skipping.
Residue LYS  334 is missing expected H atoms. Skipping.
Residue ILE  335 is missing expected H atoms. Skipping.
Residue ILE  339 is missing expected H atoms. Skipping.
Residue MET  340 is missing expected H atoms. Skipping.
Residue LEU  342 is missing expected H atoms. Skipping.
Residue LYS  344 is missing expected H atoms. Skipping.
Residue VAL  347 is missing expected H atoms. Skipping.
Residue LEU  348 is missing expected H atoms. Skipping.
Residue LEU  351 is missing expected H atoms. Skipping.
Residue ILE  352 is missing expected H atoms. Skipping.
Residue THR  353 is missing expected H atoms. Skipping.
Residue VAL  354 is missing expected H atoms. Skipping.
Residue ILE  357 is missing expected H atoms. Skipping.
Residue VAL  358 is missing expected H atoms. Skipping.
Residue THR  359 is missing expected H atoms. Skipping.
Residue LYS  361 is missing expected H atoms. Skipping.
Residue SER  363 is missing expected H atoms. Skipping.
Residue VAL  365 is missing expected H atoms. Skipping.
Residue ILE  367 is missing expected H atoms. Skipping.
Residue ALA  369 is missing expected H atoms. Skipping.
Residue SER  376 is missing expected H atoms. Skipping.
Residue TYR  377 is missing expected H atoms. Skipping.
Residue ILE  378 is missing expected H atoms. Skipping.
Residue ILE  379 is missing expected H atoms. Skipping.
Residue ILE  380 is missing expected H atoms. Skipping.
Residue VAL  382 is missing expected H atoms. Skipping.
Residue LEU  387 is missing expected H atoms. Skipping.
Residue LYS  388 is missing expected H atoms. Skipping.
Residue LEU  389 is missing expected H atoms. Skipping.
Residue LYS  393 is missing expected H atoms. Skipping.
Residue LYS  394 is missing expected H atoms. Skipping.
Residue SER  396 is missing expected H atoms. Skipping.
Residue SER  397 is missing expected H atoms. Skipping.
Residue ILE  398 is missing expected H atoms. Skipping.
Residue MET  401 is missing expected H atoms. Skipping.
Residue ILE  402 is missing expected H atoms. Skipping.
Residue THR  404 is missing expected H atoms. Skipping.
Residue THR  405 is missing expected H atoms. Skipping.
Residue MET  406 is missing expected H atoms. Skipping.
Residue ALA  409 is missing expected H atoms. Skipping.
Residue LYS  410 is missing expected H atoms. Skipping.
Residue MET  412 is missing expected H atoms. Skipping.
Residue ALA  413 is missing expected H atoms. Skipping.
Residue ILE  414 is missing expected H atoms. Skipping.
Residue LEU  415 is missing expected H atoms. Skipping.
Residue THR  418 is missing expected H atoms. Skipping.
Residue ALA  419 is missing expected H atoms. Skipping.
Residue SER  424 is missing expected H atoms. Skipping.
Residue LEU  425 is missing expected H atoms. Skipping.
Residue VAL  428 is missing expected H atoms. Skipping.
Residue THR  430 is missing expected H atoms. Skipping.
Residue SER  431 is missing expected H atoms. Skipping.
Residue ILE  432 is missing expected H atoms. Skipping.
Residue LYS  434 is missing expected H atoms. Skipping.
Residue ALA  435 is missing expected H atoms. Skipping.
Residue LEU  436 is missing expected H atoms. Skipping.
Residue VAL  439 is missing expected H atoms. Skipping.
Residue ALA  442 is missing expected H atoms. Skipping.
Residue ILE  443 is missing expected H atoms. Skipping.
Residue TYR  444 is missing expected H atoms. Skipping.
Residue ALA  446 is missing expected H atoms. Skipping.
Residue ALA  447 is missing expected H atoms. Skipping.
Residue SER  449 is missing expected H atoms. Skipping.
Residue VAL  451 is missing expected H atoms. Skipping.
Residue SER  452 is missing expected H atoms. Skipping.
Residue ILE  454 is missing expected H atoms. Skipping.
Residue MET  455 is missing expected H atoms. Skipping.
Residue LYS  456 is missing expected H atoms. Skipping.
Residue ILE  457 is missing expected H atoms. Skipping.
Residue LEU  458 is missing expected H atoms. Skipping.
Residue ILE  459 is missing expected H atoms. Skipping.
Residue VAL  461 is missing expected H atoms. Skipping.
Residue ILE  462 is missing expected H atoms. Skipping.
Residue ILE  463 is missing expected H atoms. Skipping.
Residue THR  464 is missing expected H atoms. Skipping.
Residue ILE  466 is missing expected H atoms. Skipping.
Residue MET  468 is missing expected H atoms. Skipping.
Residue SER  470 is missing expected H atoms. Skipping.
Residue SER  472 is missing expected H atoms. Skipping.
Residue THR  473 is missing expected H atoms. Skipping.
Residue SER  474 is missing expected H atoms. Skipping.
Residue LEU  475 is missing expected H atoms. Skipping.
Residue SER  476 is missing expected H atoms. Skipping.
Residue VAL  477 is missing expected H atoms. Skipping.
Residue SER  478 is missing expected H atoms. Skipping.
Residue LEU  479 is missing expected H atoms. Skipping.
Residue VAL  480 is missing expected H atoms. Skipping.
Residue LEU  481 is missing expected H atoms. Skipping.
Residue VAL  482 is missing expected H atoms. Skipping.
Residue VAL  484 is missing expected H atoms. Skipping.
Residue VAL  485 is missing expected H atoms. Skipping.
Residue THR  486 is missing expected H atoms. Skipping.
Residue LEU  487 is missing expected H atoms. Skipping.
Residue TYR  488 is missing expected H atoms. Skipping.
Residue LEU  489 is missing expected H atoms. Skipping.
Residue VAL  491 is missing expected H atoms. Skipping.
Residue MET  492 is missing expected H atoms. Skipping.
Residue VAL  493 is missing expected H atoms. Skipping.
Residue VAL    2 is missing expected H atoms. Skipping.
Residue ALA    3 is missing expected H atoms. Skipping.
Residue LEU    4 is missing expected H atoms. Skipping.
Residue VAL    5 is missing expected H atoms. Skipping.
Residue VAL    8 is missing expected H atoms. Skipping.
Residue MET   10 is missing expected H atoms. Skipping.
Residue LEU   12 is missing expected H atoms. Skipping.
Residue THR   14 is missing expected H atoms. Skipping.
Residue ALA   15 is missing expected H atoms. Skipping.
Residue THR   16 is missing expected H atoms. Skipping.
Residue THR   18 is missing expected H atoms. Skipping.
Residue MET   20 is missing expected H atoms. Skipping.
Residue SER   21 is missing expected H atoms. Skipping.
Residue SER   22 is missing expected H atoms. Skipping.
Residue ALA   25 is missing expected H atoms. Skipping.
Residue LYS   27 is missing expected H atoms. Skipping.
Residue ALA   29 is missing expected H atoms. Skipping.
Residue ILE   32 is missing expected H atoms. Skipping.
Residue THR   34 is missing expected H atoms. Skipping.
Residue ILE   36 is missing expected H atoms. Skipping.
Residue LEU   37 is missing expected H atoms. Skipping.
Residue THR   43 is missing expected H atoms. Skipping.
Residue ILE   44 is missing expected H atoms. Skipping.
Residue MET   45 is missing expected H atoms. Skipping.
Residue ALA   46 is missing expected H atoms. Skipping.
Residue ALA   47 is missing expected H atoms. Skipping.
Residue ILE   48 is missing expected H atoms. Skipping.
Residue LEU   49 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue TYR   51 is missing expected H atoms. Skipping.
Residue THR   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue THR   56 is missing expected H atoms. Skipping.
Residue ALA   61 is missing expected H atoms. Skipping.
Residue LEU   62 is missing expected H atoms. Skipping.
Residue ILE   63 is missing expected H atoms. Skipping.
Residue ILE   65 is missing expected H atoms. Skipping.
Residue LEU   66 is missing expected H atoms. Skipping.
Residue LEU   67 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue ALA   69 is missing expected H atoms. Skipping.
Residue VAL   70 is missing expected H atoms. Skipping.
Residue ALA   71 is missing expected H atoms. Skipping.
Evaluate side-chains
  418 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 134
    poor density    : 284
  time to evaluate  : 1.053 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
REVERT: A   77 GLN cc_start: 0.7414 (pm20) cc_final: 0.7036 (pm20)
REVERT: A   98 ASP cc_start: 0.8189 (OUTLIER) cc_final: 0.7855 (m-30)
REVERT: A  122 LYS cc_start: 0.8042 (OUTLIER) cc_final: 0.7728 (mtmt)
REVERT: A  125 MET cc_start: 0.7161 (OUTLIER) cc_final: 0.5477 (pmt)
REVERT: A  135 LEU cc_start: 0.8594 (OUTLIER) cc_final: 0.8179 (tm)
REVERT: A  157 LYS cc_start: 0.7862 (OUTLIER) cc_final: 0.7404 (ptmt)
REVERT: A  204 LYS cc_start: 0.7016 (OUTLIER) cc_final: 0.6735 (mtmm)
REVERT: A  247 LYS cc_start: 0.7686 (OUTLIER) cc_final: 0.7191 (mmtt)
REVERT: A  277 LEU cc_start: 0.8584 (OUTLIER) cc_final: 0.7997 (pt)
REVERT: A  422 PHE cc_start: 0.7077 (OUTLIER) cc_final: 0.5402 (t80)
REVERT: A  443 ILE cc_start: 0.7661 (tp) cc_final: 0.7418 (tt)
REVERT: A  464 THR cc_start: 0.8269 (t) cc_final: 0.7952 (m)
REVERT: B   27 LYS cc_start: 0.7165 (ttpp) cc_final: 0.6709 (tppt)
REVERT: B   31 ARG cc_start: 0.7652 (ppt-90) cc_final: 0.7349 (ttp80)
REVERT: C   64 LYS cc_start: 0.6418 (OUTLIER) cc_final: 0.5783 (ptmt)
REVERT: C   73 ARG cc_start: 0.6624 (tpt-90) cc_final: 0.5993 (ttm-80)
REVERT: C   98 ASP cc_start: 0.8380 (OUTLIER) cc_final: 0.8149 (m-30)
REVERT: C   99 ARG cc_start: 0.7333 (mtp180) cc_final: 0.7086 (ttt180)
REVERT: C  122 LYS cc_start: 0.7941 (OUTLIER) cc_final: 0.7397 (mtmt)
REVERT: C  157 LYS cc_start: 0.7610 (OUTLIER) cc_final: 0.7094 (ptmt)
REVERT: C  184 GLU cc_start: 0.8215 (tp30) cc_final: 0.7968 (tt0)
REVERT: C  204 LYS cc_start: 0.7409 (OUTLIER) cc_final: 0.7020 (ptpp)
REVERT: C  244 HIS cc_start: 0.7686 (OUTLIER) cc_final: 0.5619 (m-70)
REVERT: C  247 LYS cc_start: 0.7932 (OUTLIER) cc_final: 0.7324 (mmmt)
REVERT: C  323 ARG cc_start: 0.7364 (OUTLIER) cc_final: 0.6971 (tpp-160)
REVERT: C  402 ILE cc_start: 0.7928 (OUTLIER) cc_final: 0.7358 (mm)
REVERT: C  434 LYS cc_start: 0.7333 (OUTLIER) cc_final: 0.7119 (ttpt)
REVERT: C  443 ILE cc_start: 0.7752 (tp) cc_final: 0.7460 (tt)
REVERT: C  492 MET cc_start: 0.7663 (tpp) cc_final: 0.7282 (tpp)
REVERT: D   26 TRP cc_start: 0.6714 (OUTLIER) cc_final: 0.6323 (m100)
REVERT: D   31 ARG cc_start: 0.7798 (ppt-90) cc_final: 0.7471 (ptt90)
  outliers start: 134
  outliers final: 97
  residues processed: 367
  average time/residue: 0.2265
  time to fit residues: 114.3682
Evaluate side-chains
  383 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 117
    poor density    : 266
  time to evaluate  : 1.085 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue    1 MET
Chi-restraints excluded: chain A residue   10 ASP
Chi-restraints excluded: chain A residue   20 TRP
Chi-restraints excluded: chain A residue   23 ILE
Chi-restraints excluded: chain A residue   25 LEU
Chi-restraints excluded: chain A residue   45 LEU
Chi-restraints excluded: chain A residue   58 LYS
Chi-restraints excluded: chain A residue   61 ILE
Chi-restraints excluded: chain A residue   65 LEU
Chi-restraints excluded: chain A residue   69 THR
Chi-restraints excluded: chain A residue   84 GLU
Chi-restraints excluded: chain A residue   98 ASP
Chi-restraints excluded: chain A residue  113 ILE
Chi-restraints excluded: chain A residue  118 MET
Chi-restraints excluded: chain A residue  122 LYS
Chi-restraints excluded: chain A residue  125 MET
Chi-restraints excluded: chain A residue  129 VAL
Chi-restraints excluded: chain A residue  135 LEU
Chi-restraints excluded: chain A residue  141 ILE
Chi-restraints excluded: chain A residue  153 ASN
Chi-restraints excluded: chain A residue  157 LYS
Chi-restraints excluded: chain A residue  158 HIS
Chi-restraints excluded: chain A residue  162 ILE
Chi-restraints excluded: chain A residue  164 ILE
Chi-restraints excluded: chain A residue  170 ILE
Chi-restraints excluded: chain A residue  175 LEU
Chi-restraints excluded: chain A residue  196 MET
Chi-restraints excluded: chain A residue  204 LYS
Chi-restraints excluded: chain A residue  207 LEU
Chi-restraints excluded: chain A residue  240 PHE
Chi-restraints excluded: chain A residue  244 HIS
Chi-restraints excluded: chain A residue  247 LYS
Chi-restraints excluded: chain A residue  270 ILE
Chi-restraints excluded: chain A residue  277 LEU
Chi-restraints excluded: chain A residue  280 THR
Chi-restraints excluded: chain A residue  299 TYR
Chi-restraints excluded: chain A residue  302 CYS
Chi-restraints excluded: chain A residue  311 GLU
Chi-restraints excluded: chain A residue  312 ILE
Chi-restraints excluded: chain A residue  335 ILE
Chi-restraints excluded: chain A residue  340 MET
Chi-restraints excluded: chain A residue  348 LEU
Chi-restraints excluded: chain A residue  351 LEU
Chi-restraints excluded: chain A residue  357 ILE
Chi-restraints excluded: chain A residue  380 ILE
Chi-restraints excluded: chain A residue  422 PHE
Chi-restraints excluded: chain A residue  432 ILE
Chi-restraints excluded: chain A residue  448 PHE
Chi-restraints excluded: chain A residue  454 ILE
Chi-restraints excluded: chain A residue  457 ILE
Chi-restraints excluded: chain A residue  466 ILE
Chi-restraints excluded: chain A residue  484 VAL
Chi-restraints excluded: chain B residue   14 THR
Chi-restraints excluded: chain B residue   32 ILE
Chi-restraints excluded: chain B residue   36 ILE
Chi-restraints excluded: chain B residue   37 LEU
Chi-restraints excluded: chain B residue   59 GLN
Chi-restraints excluded: chain B residue   67 LEU
Chi-restraints excluded: chain C residue   10 ASP
Chi-restraints excluded: chain C residue   20 TRP
Chi-restraints excluded: chain C residue   25 LEU
Chi-restraints excluded: chain C residue   38 LYS
Chi-restraints excluded: chain C residue   45 LEU
Chi-restraints excluded: chain C residue   48 THR
Chi-restraints excluded: chain C residue   58 LYS
Chi-restraints excluded: chain C residue   61 ILE
Chi-restraints excluded: chain C residue   64 LYS
Chi-restraints excluded: chain C residue   65 LEU
Chi-restraints excluded: chain C residue   69 THR
Chi-restraints excluded: chain C residue   71 ASP
Chi-restraints excluded: chain C residue   98 ASP
Chi-restraints excluded: chain C residue  107 LEU
Chi-restraints excluded: chain C residue  113 ILE
Chi-restraints excluded: chain C residue  122 LYS
Chi-restraints excluded: chain C residue  125 MET
Chi-restraints excluded: chain C residue  129 VAL
Chi-restraints excluded: chain C residue  135 LEU
Chi-restraints excluded: chain C residue  141 ILE
Chi-restraints excluded: chain C residue  157 LYS
Chi-restraints excluded: chain C residue  158 HIS
Chi-restraints excluded: chain C residue  162 ILE
Chi-restraints excluded: chain C residue  164 ILE
Chi-restraints excluded: chain C residue  196 MET
Chi-restraints excluded: chain C residue  204 LYS
Chi-restraints excluded: chain C residue  237 LEU
Chi-restraints excluded: chain C residue  240 PHE
Chi-restraints excluded: chain C residue  244 HIS
Chi-restraints excluded: chain C residue  247 LYS
Chi-restraints excluded: chain C residue  249 ASP
Chi-restraints excluded: chain C residue  270 ILE
Chi-restraints excluded: chain C residue  280 THR
Chi-restraints excluded: chain C residue  299 TYR
Chi-restraints excluded: chain C residue  302 CYS
Chi-restraints excluded: chain C residue  303 THR
Chi-restraints excluded: chain C residue  312 ILE
Chi-restraints excluded: chain C residue  323 ARG
Chi-restraints excluded: chain C residue  335 ILE
Chi-restraints excluded: chain C residue  351 LEU
Chi-restraints excluded: chain C residue  366 ASN
Chi-restraints excluded: chain C residue  380 ILE
Chi-restraints excluded: chain C residue  389 LEU
Chi-restraints excluded: chain C residue  402 ILE
Chi-restraints excluded: chain C residue  422 PHE
Chi-restraints excluded: chain C residue  432 ILE
Chi-restraints excluded: chain C residue  434 LYS
Chi-restraints excluded: chain C residue  454 ILE
Chi-restraints excluded: chain C residue  457 ILE
Chi-restraints excluded: chain C residue  466 ILE
Chi-restraints excluded: chain C residue  481 LEU
Chi-restraints excluded: chain C residue  484 VAL
Chi-restraints excluded: chain D residue   14 THR
Chi-restraints excluded: chain D residue   26 TRP
Chi-restraints excluded: chain D residue   32 ILE
Chi-restraints excluded: chain D residue   36 ILE
Chi-restraints excluded: chain D residue   37 LEU
Chi-restraints excluded: chain D residue   44 ILE
Chi-restraints excluded: chain D residue   52 THR
Rotamers are restrained with sigma=3.50
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 112
   random chunks:
   chunk 82 optimal weight:   40.0000
   chunk 22 optimal weight:    6.9990
   chunk 13 optimal weight:   20.0000
   chunk 55 optimal weight:   20.0000
   chunk 43 optimal weight:   20.0000
   chunk 17 optimal weight:   20.0000
   chunk 69 optimal weight:   20.0000
   chunk 79 optimal weight:   20.0000
   chunk 46 optimal weight:   20.0000
   chunk 4 optimal weight:    3.9990
   chunk 63 optimal weight:    0.8980
   overall best weight:   10.3792

-------------------------------------------------------------------------------
NQH flips
*********
Analyzing N/Q/H residues for possible flip corrections...

Flipped N/Q/H residues before XYZ refinement:
** A  27 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
A 167 GLN
A 203 ASN
A 276 ASN
** A 355 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** B   7 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** C  27 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** C 103 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** C 276 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** C 355 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
D   7 HIS

Total number of N/Q/H flips: 4

-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.3710 r_free = 0.3710 target = 0.143694 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 35)----------------|
| r_work = 0.3583 r_free = 0.3583 target = 0.133695 restraints weight = 21792.634|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 36)----------------|
| r_work = 0.3616 r_free = 0.3616 target = 0.136308 restraints weight = 10901.839|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 40)----------------|
| r_work = 0.3639 r_free = 0.3639 target = 0.138106 restraints weight = 6432.821|
|-----------------------------------------------------------------------------|
r_work (final): 0.3650
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7365
moved from start:          0.4727

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.005   0.034   8986  Z= 0.326
  Angle     :  0.862  10.078  12164  Z= 0.436
  Chirality :  0.046   0.158   1412
  Planarity :  0.005   0.036   1520
  Dihedral  : 12.266  88.860   1484
  Min Nonbonded Distance : 2.241

Molprobity Statistics.
  All-atom Clashscore : 78.14
  Ramachandran Plot:
    Outliers :  4.09 %
    Allowed  : 26.47 %
    Favored  : 69.45 %
  Rotamer:
    Outliers : 16.14 %
    Allowed  : 25.05 %
    Favored  : 58.81 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.09 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole: -5.39 (0.21), residues: 1126
  helix: -2.08 (0.25), residues: 302
  sheet: -2.55 (0.30), residues: 286
  loop : -5.25 (0.18), residues: 538

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.018   0.002   TRP A 391 
 HIS   0.007   0.002   HIS C 282 
 PHE   0.027   0.002   PHE A 373 
 TYR   0.017   0.003   TYR C 444 
 ARG   0.009   0.001   ARG C  99 

*********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************

-------------------------------------------------------------------------------
Update Rama plot phi/psi targets (oldfield only)
************************************************

  2252 Ramachandran restraints generated.
    1126 Oldfield, 0 Emsley, 1126 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  2252 Ramachandran restraints generated.
    1126 Oldfield, 0 Emsley, 1126 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Residue ILE    4 is missing expected H atoms. Skipping.
Residue ILE    6 is missing expected H atoms. Skipping.
Residue SER    7 is missing expected H atoms. Skipping.
Residue VAL   12 is missing expected H atoms. Skipping.
Residue VAL   15 is missing expected H atoms. Skipping.
Residue SER   16 is missing expected H atoms. Skipping.
Residue SER   19 is missing expected H atoms. Skipping.
Residue VAL   21 is missing expected H atoms. Skipping.
Residue ILE   23 is missing expected H atoms. Skipping.
Residue VAL   24 is missing expected H atoms. Skipping.
Residue LEU   25 is missing expected H atoms. Skipping.
Residue SER   29 is missing expected H atoms. Skipping.
Residue VAL   31 is missing expected H atoms. Skipping.
Residue THR   32 is missing expected H atoms. Skipping.
Residue THR   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   35 is missing expected H atoms. Skipping.
Residue LYS   36 is missing expected H atoms. Skipping.
Residue LYS   38 is missing expected H atoms. Skipping.
Residue THR   40 is missing expected H atoms. Skipping.
Residue LEU   41 is missing expected H atoms. Skipping.
Residue LEU   45 is missing expected H atoms. Skipping.
Residue ILE   46 is missing expected H atoms. Skipping.
Residue THR   48 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue LYS   51 is missing expected H atoms. Skipping.
Residue ALA   54 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue LEU   56 is missing expected H atoms. Skipping.
Residue LYS   58 is missing expected H atoms. Skipping.
Residue TYR   59 is missing expected H atoms. Skipping.
Residue ILE   61 is missing expected H atoms. Skipping.
Residue ALA   63 is missing expected H atoms. Skipping.
Residue LYS   64 is missing expected H atoms. Skipping.
Residue LEU   65 is missing expected H atoms. Skipping.
Residue THR   66 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue THR   69 is missing expected H atoms. Skipping.
Residue THR   70 is missing expected H atoms. Skipping.
Residue SER   72 is missing expected H atoms. Skipping.
Residue THR   76 is missing expected H atoms. Skipping.
Residue SER   81 is missing expected H atoms. Skipping.
Residue LEU   82 is missing expected H atoms. Skipping.
Residue LYS   88 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue LYS   93 is missing expected H atoms. Skipping.
Residue SER   95 is missing expected H atoms. Skipping.
Residue MET   96 is missing expected H atoms. Skipping.
Residue VAL   97 is missing expected H atoms. Skipping.
Residue LEU  107 is missing expected H atoms. Skipping.
Residue LYS  110 is missing expected H atoms. Skipping.
Residue ILE  113 is missing expected H atoms. Skipping.
Residue VAL  114 is missing expected H atoms. Skipping.
Residue THR  115 is missing expected H atoms. Skipping.
Residue ALA  117 is missing expected H atoms. Skipping.
Residue MET  118 is missing expected H atoms. Skipping.
Residue THR  120 is missing expected H atoms. Skipping.
Residue LYS  122 is missing expected H atoms. Skipping.
Residue LYS  123 is missing expected H atoms. Skipping.
Residue MET  125 is missing expected H atoms. Skipping.
Residue LYS  126 is missing expected H atoms. Skipping.
Residue LYS  128 is missing expected H atoms. Skipping.
Residue VAL  129 is missing expected H atoms. Skipping.
Residue VAL  130 is missing expected H atoms. Skipping.
Residue LEU  135 is missing expected H atoms. Skipping.
Residue TYR  137 is missing expected H atoms. Skipping.
Residue THR  138 is missing expected H atoms. Skipping.
Residue ILE  139 is missing expected H atoms. Skipping.
Residue VAL  140 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue THR  142 is missing expected H atoms. Skipping.
Residue SER  145 is missing expected H atoms. Skipping.
Residue ALA  150 is missing expected H atoms. Skipping.
Residue VAL  151 is missing expected H atoms. Skipping.
Residue THR  155 is missing expected H atoms. Skipping.
Residue LYS  157 is missing expected H atoms. Skipping.
Residue LYS  160 is missing expected H atoms. Skipping.
Residue ILE  162 is missing expected H atoms. Skipping.
Residue LYS  163 is missing expected H atoms. Skipping.
Residue ILE  164 is missing expected H atoms. Skipping.
Residue THR  165 is missing expected H atoms. Skipping.
Residue SER  168 is missing expected H atoms. Skipping.
Residue SER  169 is missing expected H atoms. Skipping.
Residue ILE  170 is missing expected H atoms. Skipping.
Residue THR  171 is missing expected H atoms. Skipping.
Residue ALA  173 is missing expected H atoms. Skipping.
Residue LEU  175 is missing expected H atoms. Skipping.
Residue THR  176 is missing expected H atoms. Skipping.
Residue TYR  178 is missing expected H atoms. Skipping.
Residue THR  180 is missing expected H atoms. Skipping.
Residue VAL  181 is missing expected H atoms. Skipping.
Residue THR  182 is missing expected H atoms. Skipping.
Residue MET  183 is missing expected H atoms. Skipping.
Residue SER  186 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue LEU  191 is missing expected H atoms. Skipping.
Residue MET  196 is missing expected H atoms. Skipping.
Residue VAL  197 is missing expected H atoms. Skipping.
Residue LEU  198 is missing expected H atoms. Skipping.
Residue LEU  199 is missing expected H atoms. Skipping.
Residue MET  201 is missing expected H atoms. Skipping.
Residue LYS  204 is missing expected H atoms. Skipping.
Residue ALA  205 is missing expected H atoms. Skipping.
Residue LEU  207 is missing expected H atoms. Skipping.
Residue VAL  208 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue LEU  216 is missing expected H atoms. Skipping.
Residue LEU  218 is missing expected H atoms. Skipping.
Residue LEU  221 is missing expected H atoms. Skipping.
Residue ALA  224 is missing expected H atoms. Skipping.
Residue THR  226 is missing expected H atoms. Skipping.
Residue SER  229 is missing expected H atoms. Skipping.
Residue ILE  232 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue THR  236 is missing expected H atoms. Skipping.
Residue LEU  237 is missing expected H atoms. Skipping.
Residue VAL  238 is missing expected H atoms. Skipping.
Residue THR  239 is missing expected H atoms. Skipping.
Residue LYS  241 is missing expected H atoms. Skipping.
Residue ALA  245 is missing expected H atoms. Skipping.
Residue LYS  246 is missing expected H atoms. Skipping.
Residue LYS  247 is missing expected H atoms. Skipping.
Residue VAL  250 is missing expected H atoms. Skipping.
Residue VAL  251 is missing expected H atoms. Skipping.
Residue VAL  252 is missing expected H atoms. Skipping.
Residue LEU  253 is missing expected H atoms. Skipping.
Residue SER  255 is missing expected H atoms. Skipping.
Residue ALA  259 is missing expected H atoms. Skipping.
Residue MET  260 is missing expected H atoms. Skipping.
Residue THR  262 is missing expected H atoms. Skipping.
Residue ALA  263 is missing expected H atoms. Skipping.
Residue LEU  264 is missing expected H atoms. Skipping.
Residue THR  265 is missing expected H atoms. Skipping.
Residue ALA  267 is missing expected H atoms. Skipping.
Residue THR  268 is missing expected H atoms. Skipping.
Residue ILE  270 is missing expected H atoms. Skipping.
Residue MET  272 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue SER  274 is missing expected H atoms. Skipping.
Residue LEU  277 is missing expected H atoms. Skipping.
Residue LEU  278 is missing expected H atoms. Skipping.
Residue THR  280 is missing expected H atoms. Skipping.
Residue LEU  283 is missing expected H atoms. Skipping.
Residue LYS  284 is missing expected H atoms. Skipping.
Residue LEU  287 is missing expected H atoms. Skipping.
Residue MET  289 is missing expected H atoms. Skipping.
Residue LYS  291 is missing expected H atoms. Skipping.
Residue LEU  292 is missing expected H atoms. Skipping.
Residue LEU  294 is missing expected H atoms. Skipping.
Residue LYS  295 is missing expected H atoms. Skipping.
Residue MET  297 is missing expected H atoms. Skipping.
Residue SER  298 is missing expected H atoms. Skipping.
Residue TYR  299 is missing expected H atoms. Skipping.
Residue SER  300 is missing expected H atoms. Skipping.
Residue MET  301 is missing expected H atoms. Skipping.
Residue THR  303 is missing expected H atoms. Skipping.
Residue LYS  305 is missing expected H atoms. Skipping.
Residue LYS  307 is missing expected H atoms. Skipping.
Residue VAL  308 is missing expected H atoms. Skipping.
Residue VAL  309 is missing expected H atoms. Skipping.
Residue LYS  310 is missing expected H atoms. Skipping.
Residue ILE  312 is missing expected H atoms. Skipping.
Residue ALA  313 is missing expected H atoms. Skipping.
Residue THR  315 is missing expected H atoms. Skipping.
Residue THR  319 is missing expected H atoms. Skipping.
Residue ILE  320 is missing expected H atoms. Skipping.
Residue VAL  321 is missing expected H atoms. Skipping.
Residue ILE  322 is missing expected H atoms. Skipping.
Residue VAL  324 is missing expected H atoms. Skipping.
Residue TYR  326 is missing expected H atoms. Skipping.
Residue SER  331 is missing expected H atoms. Skipping.
Residue LYS  334 is missing expected H atoms. Skipping.
Residue ILE  335 is missing expected H atoms. Skipping.
Residue ILE  339 is missing expected H atoms. Skipping.
Residue MET  340 is missing expected H atoms. Skipping.
Residue LEU  342 is missing expected H atoms. Skipping.
Residue LYS  344 is missing expected H atoms. Skipping.
Residue VAL  347 is missing expected H atoms. Skipping.
Residue LEU  348 is missing expected H atoms. Skipping.
Residue LEU  351 is missing expected H atoms. Skipping.
Residue ILE  352 is missing expected H atoms. Skipping.
Residue THR  353 is missing expected H atoms. Skipping.
Residue VAL  354 is missing expected H atoms. Skipping.
Residue ILE  357 is missing expected H atoms. Skipping.
Residue VAL  358 is missing expected H atoms. Skipping.
Residue THR  359 is missing expected H atoms. Skipping.
Residue LYS  361 is missing expected H atoms. Skipping.
Residue SER  363 is missing expected H atoms. Skipping.
Residue VAL  365 is missing expected H atoms. Skipping.
Residue ILE  367 is missing expected H atoms. Skipping.
Residue ALA  369 is missing expected H atoms. Skipping.
Residue SER  376 is missing expected H atoms. Skipping.
Residue TYR  377 is missing expected H atoms. Skipping.
Residue ILE  378 is missing expected H atoms. Skipping.
Residue ILE  379 is missing expected H atoms. Skipping.
Residue ILE  380 is missing expected H atoms. Skipping.
Residue VAL  382 is missing expected H atoms. Skipping.
Residue LEU  387 is missing expected H atoms. Skipping.
Residue LYS  388 is missing expected H atoms. Skipping.
Residue LEU  389 is missing expected H atoms. Skipping.
Residue LYS  393 is missing expected H atoms. Skipping.
Residue LYS  394 is missing expected H atoms. Skipping.
Residue SER  396 is missing expected H atoms. Skipping.
Residue SER  397 is missing expected H atoms. Skipping.
Residue ILE  398 is missing expected H atoms. Skipping.
Residue MET  401 is missing expected H atoms. Skipping.
Residue ILE  402 is missing expected H atoms. Skipping.
Residue THR  404 is missing expected H atoms. Skipping.
Residue THR  405 is missing expected H atoms. Skipping.
Residue MET  406 is missing expected H atoms. Skipping.
Residue ALA  409 is missing expected H atoms. Skipping.
Residue LYS  410 is missing expected H atoms. Skipping.
Residue MET  412 is missing expected H atoms. Skipping.
Residue ALA  413 is missing expected H atoms. Skipping.
Residue ILE  414 is missing expected H atoms. Skipping.
Residue LEU  415 is missing expected H atoms. Skipping.
Residue THR  418 is missing expected H atoms. Skipping.
Residue ALA  419 is missing expected H atoms. Skipping.
Residue SER  424 is missing expected H atoms. Skipping.
Residue LEU  425 is missing expected H atoms. Skipping.
Residue VAL  428 is missing expected H atoms. Skipping.
Residue THR  430 is missing expected H atoms. Skipping.
Residue SER  431 is missing expected H atoms. Skipping.
Residue ILE  432 is missing expected H atoms. Skipping.
Residue LYS  434 is missing expected H atoms. Skipping.
Residue ALA  435 is missing expected H atoms. Skipping.
Residue LEU  436 is missing expected H atoms. Skipping.
Residue VAL  439 is missing expected H atoms. Skipping.
Residue ALA  442 is missing expected H atoms. Skipping.
Residue ILE  443 is missing expected H atoms. Skipping.
Residue TYR  444 is missing expected H atoms. Skipping.
Residue ALA  446 is missing expected H atoms. Skipping.
Residue ALA  447 is missing expected H atoms. Skipping.
Residue SER  449 is missing expected H atoms. Skipping.
Residue VAL  451 is missing expected H atoms. Skipping.
Residue SER  452 is missing expected H atoms. Skipping.
Residue ILE  454 is missing expected H atoms. Skipping.
Residue MET  455 is missing expected H atoms. Skipping.
Residue LYS  456 is missing expected H atoms. Skipping.
Residue ILE  457 is missing expected H atoms. Skipping.
Residue LEU  458 is missing expected H atoms. Skipping.
Residue ILE  459 is missing expected H atoms. Skipping.
Residue VAL  461 is missing expected H atoms. Skipping.
Residue ILE  462 is missing expected H atoms. Skipping.
Residue ILE  463 is missing expected H atoms. Skipping.
Residue THR  464 is missing expected H atoms. Skipping.
Residue ILE  466 is missing expected H atoms. Skipping.
Residue MET  468 is missing expected H atoms. Skipping.
Residue SER  470 is missing expected H atoms. Skipping.
Residue SER  472 is missing expected H atoms. Skipping.
Residue THR  473 is missing expected H atoms. Skipping.
Residue SER  474 is missing expected H atoms. Skipping.
Residue LEU  475 is missing expected H atoms. Skipping.
Residue SER  476 is missing expected H atoms. Skipping.
Residue VAL  477 is missing expected H atoms. Skipping.
Residue SER  478 is missing expected H atoms. Skipping.
Residue LEU  479 is missing expected H atoms. Skipping.
Residue VAL  480 is missing expected H atoms. Skipping.
Residue LEU  481 is missing expected H atoms. Skipping.
Residue VAL  482 is missing expected H atoms. Skipping.
Residue VAL  484 is missing expected H atoms. Skipping.
Residue VAL  485 is missing expected H atoms. Skipping.
Residue THR  486 is missing expected H atoms. Skipping.
Residue LEU  487 is missing expected H atoms. Skipping.
Residue TYR  488 is missing expected H atoms. Skipping.
Residue LEU  489 is missing expected H atoms. Skipping.
Residue VAL  491 is missing expected H atoms. Skipping.
Residue MET  492 is missing expected H atoms. Skipping.
Residue VAL  493 is missing expected H atoms. Skipping.
Residue VAL    2 is missing expected H atoms. Skipping.
Residue ALA    3 is missing expected H atoms. Skipping.
Residue LEU    4 is missing expected H atoms. Skipping.
Residue VAL    5 is missing expected H atoms. Skipping.
Residue VAL    8 is missing expected H atoms. Skipping.
Residue MET   10 is missing expected H atoms. Skipping.
Residue LEU   12 is missing expected H atoms. Skipping.
Residue THR   14 is missing expected H atoms. Skipping.
Residue ALA   15 is missing expected H atoms. Skipping.
Residue THR   16 is missing expected H atoms. Skipping.
Residue THR   18 is missing expected H atoms. Skipping.
Residue MET   20 is missing expected H atoms. Skipping.
Residue SER   21 is missing expected H atoms. Skipping.
Residue SER   22 is missing expected H atoms. Skipping.
Residue ALA   25 is missing expected H atoms. Skipping.
Residue LYS   27 is missing expected H atoms. Skipping.
Residue ALA   29 is missing expected H atoms. Skipping.
Residue ILE   32 is missing expected H atoms. Skipping.
Residue THR   34 is missing expected H atoms. Skipping.
Residue ILE   36 is missing expected H atoms. Skipping.
Residue LEU   37 is missing expected H atoms. Skipping.
Residue THR   43 is missing expected H atoms. Skipping.
Residue ILE   44 is missing expected H atoms. Skipping.
Residue MET   45 is missing expected H atoms. Skipping.
Residue ALA   46 is missing expected H atoms. Skipping.
Residue ALA   47 is missing expected H atoms. Skipping.
Residue ILE   48 is missing expected H atoms. Skipping.
Residue LEU   49 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue TYR   51 is missing expected H atoms. Skipping.
Residue THR   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue THR   56 is missing expected H atoms. Skipping.
Residue ALA   61 is missing expected H atoms. Skipping.
Residue LEU   62 is missing expected H atoms. Skipping.
Residue ILE   63 is missing expected H atoms. Skipping.
Residue ILE   65 is missing expected H atoms. Skipping.
Residue LEU   66 is missing expected H atoms. Skipping.
Residue LEU   67 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue ALA   69 is missing expected H atoms. Skipping.
Residue VAL   70 is missing expected H atoms. Skipping.
Residue ALA   71 is missing expected H atoms. Skipping.
Residue ILE    4 is missing expected H atoms. Skipping.
Residue ILE    6 is missing expected H atoms. Skipping.
Residue SER    7 is missing expected H atoms. Skipping.
Residue VAL   12 is missing expected H atoms. Skipping.
Residue VAL   15 is missing expected H atoms. Skipping.
Residue SER   16 is missing expected H atoms. Skipping.
Residue SER   19 is missing expected H atoms. Skipping.
Residue VAL   21 is missing expected H atoms. Skipping.
Residue ILE   23 is missing expected H atoms. Skipping.
Residue VAL   24 is missing expected H atoms. Skipping.
Residue LEU   25 is missing expected H atoms. Skipping.
Residue SER   29 is missing expected H atoms. Skipping.
Residue VAL   31 is missing expected H atoms. Skipping.
Residue THR   32 is missing expected H atoms. Skipping.
Residue THR   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   35 is missing expected H atoms. Skipping.
Residue LYS   36 is missing expected H atoms. Skipping.
Residue LYS   38 is missing expected H atoms. Skipping.
Residue THR   40 is missing expected H atoms. Skipping.
Residue LEU   41 is missing expected H atoms. Skipping.
Residue LEU   45 is missing expected H atoms. Skipping.
Residue ILE   46 is missing expected H atoms. Skipping.
Residue THR   48 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue LYS   51 is missing expected H atoms. Skipping.
Residue ALA   54 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue LEU   56 is missing expected H atoms. Skipping.
Residue LYS   58 is missing expected H atoms. Skipping.
Residue TYR   59 is missing expected H atoms. Skipping.
Residue ILE   61 is missing expected H atoms. Skipping.
Residue ALA   63 is missing expected H atoms. Skipping.
Residue LYS   64 is missing expected H atoms. Skipping.
Residue LEU   65 is missing expected H atoms. Skipping.
Residue THR   66 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue THR   69 is missing expected H atoms. Skipping.
Residue THR   70 is missing expected H atoms. Skipping.
Residue SER   72 is missing expected H atoms. Skipping.
Residue THR   76 is missing expected H atoms. Skipping.
Residue SER   81 is missing expected H atoms. Skipping.
Residue LEU   82 is missing expected H atoms. Skipping.
Residue LYS   88 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue LYS   93 is missing expected H atoms. Skipping.
Residue SER   95 is missing expected H atoms. Skipping.
Residue MET   96 is missing expected H atoms. Skipping.
Residue VAL   97 is missing expected H atoms. Skipping.
Residue LEU  107 is missing expected H atoms. Skipping.
Residue LYS  110 is missing expected H atoms. Skipping.
Residue ILE  113 is missing expected H atoms. Skipping.
Residue VAL  114 is missing expected H atoms. Skipping.
Residue THR  115 is missing expected H atoms. Skipping.
Residue ALA  117 is missing expected H atoms. Skipping.
Residue MET  118 is missing expected H atoms. Skipping.
Residue THR  120 is missing expected H atoms. Skipping.
Residue LYS  122 is missing expected H atoms. Skipping.
Residue LYS  123 is missing expected H atoms. Skipping.
Residue MET  125 is missing expected H atoms. Skipping.
Residue LYS  126 is missing expected H atoms. Skipping.
Residue LYS  128 is missing expected H atoms. Skipping.
Residue VAL  129 is missing expected H atoms. Skipping.
Residue VAL  130 is missing expected H atoms. Skipping.
Residue LEU  135 is missing expected H atoms. Skipping.
Residue TYR  137 is missing expected H atoms. Skipping.
Residue THR  138 is missing expected H atoms. Skipping.
Residue ILE  139 is missing expected H atoms. Skipping.
Residue VAL  140 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue THR  142 is missing expected H atoms. Skipping.
Residue SER  145 is missing expected H atoms. Skipping.
Residue ALA  150 is missing expected H atoms. Skipping.
Residue VAL  151 is missing expected H atoms. Skipping.
Residue THR  155 is missing expected H atoms. Skipping.
Residue LYS  157 is missing expected H atoms. Skipping.
Residue LYS  160 is missing expected H atoms. Skipping.
Residue ILE  162 is missing expected H atoms. Skipping.
Residue LYS  163 is missing expected H atoms. Skipping.
Residue ILE  164 is missing expected H atoms. Skipping.
Residue THR  165 is missing expected H atoms. Skipping.
Residue SER  168 is missing expected H atoms. Skipping.
Residue SER  169 is missing expected H atoms. Skipping.
Residue ILE  170 is missing expected H atoms. Skipping.
Residue THR  171 is missing expected H atoms. Skipping.
Residue ALA  173 is missing expected H atoms. Skipping.
Residue LEU  175 is missing expected H atoms. Skipping.
Residue THR  176 is missing expected H atoms. Skipping.
Residue TYR  178 is missing expected H atoms. Skipping.
Residue THR  180 is missing expected H atoms. Skipping.
Residue VAL  181 is missing expected H atoms. Skipping.
Residue THR  182 is missing expected H atoms. Skipping.
Residue MET  183 is missing expected H atoms. Skipping.
Residue SER  186 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue LEU  191 is missing expected H atoms. Skipping.
Residue MET  196 is missing expected H atoms. Skipping.
Residue VAL  197 is missing expected H atoms. Skipping.
Residue LEU  198 is missing expected H atoms. Skipping.
Residue LEU  199 is missing expected H atoms. Skipping.
Residue MET  201 is missing expected H atoms. Skipping.
Residue LYS  204 is missing expected H atoms. Skipping.
Residue ALA  205 is missing expected H atoms. Skipping.
Residue LEU  207 is missing expected H atoms. Skipping.
Residue VAL  208 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue LEU  216 is missing expected H atoms. Skipping.
Residue LEU  218 is missing expected H atoms. Skipping.
Residue LEU  221 is missing expected H atoms. Skipping.
Residue ALA  224 is missing expected H atoms. Skipping.
Residue THR  226 is missing expected H atoms. Skipping.
Residue SER  229 is missing expected H atoms. Skipping.
Residue ILE  232 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue THR  236 is missing expected H atoms. Skipping.
Residue LEU  237 is missing expected H atoms. Skipping.
Residue VAL  238 is missing expected H atoms. Skipping.
Residue THR  239 is missing expected H atoms. Skipping.
Residue LYS  241 is missing expected H atoms. Skipping.
Residue ALA  245 is missing expected H atoms. Skipping.
Residue LYS  246 is missing expected H atoms. Skipping.
Residue LYS  247 is missing expected H atoms. Skipping.
Residue VAL  250 is missing expected H atoms. Skipping.
Residue VAL  251 is missing expected H atoms. Skipping.
Residue VAL  252 is missing expected H atoms. Skipping.
Residue LEU  253 is missing expected H atoms. Skipping.
Residue SER  255 is missing expected H atoms. Skipping.
Residue ALA  259 is missing expected H atoms. Skipping.
Residue MET  260 is missing expected H atoms. Skipping.
Residue THR  262 is missing expected H atoms. Skipping.
Residue ALA  263 is missing expected H atoms. Skipping.
Residue LEU  264 is missing expected H atoms. Skipping.
Residue THR  265 is missing expected H atoms. Skipping.
Residue ALA  267 is missing expected H atoms. Skipping.
Residue THR  268 is missing expected H atoms. Skipping.
Residue ILE  270 is missing expected H atoms. Skipping.
Residue MET  272 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue SER  274 is missing expected H atoms. Skipping.
Residue LEU  277 is missing expected H atoms. Skipping.
Residue LEU  278 is missing expected H atoms. Skipping.
Residue THR  280 is missing expected H atoms. Skipping.
Residue LEU  283 is missing expected H atoms. Skipping.
Residue LYS  284 is missing expected H atoms. Skipping.
Residue LEU  287 is missing expected H atoms. Skipping.
Residue MET  289 is missing expected H atoms. Skipping.
Residue LYS  291 is missing expected H atoms. Skipping.
Residue LEU  292 is missing expected H atoms. Skipping.
Residue LEU  294 is missing expected H atoms. Skipping.
Residue LYS  295 is missing expected H atoms. Skipping.
Residue MET  297 is missing expected H atoms. Skipping.
Residue SER  298 is missing expected H atoms. Skipping.
Residue TYR  299 is missing expected H atoms. Skipping.
Residue SER  300 is missing expected H atoms. Skipping.
Residue MET  301 is missing expected H atoms. Skipping.
Residue THR  303 is missing expected H atoms. Skipping.
Residue LYS  305 is missing expected H atoms. Skipping.
Residue LYS  307 is missing expected H atoms. Skipping.
Residue VAL  308 is missing expected H atoms. Skipping.
Residue VAL  309 is missing expected H atoms. Skipping.
Residue LYS  310 is missing expected H atoms. Skipping.
Residue ILE  312 is missing expected H atoms. Skipping.
Residue ALA  313 is missing expected H atoms. Skipping.
Residue THR  315 is missing expected H atoms. Skipping.
Residue THR  319 is missing expected H atoms. Skipping.
Residue ILE  320 is missing expected H atoms. Skipping.
Residue VAL  321 is missing expected H atoms. Skipping.
Residue ILE  322 is missing expected H atoms. Skipping.
Residue VAL  324 is missing expected H atoms. Skipping.
Residue TYR  326 is missing expected H atoms. Skipping.
Residue SER  331 is missing expected H atoms. Skipping.
Residue LYS  334 is missing expected H atoms. Skipping.
Residue ILE  335 is missing expected H atoms. Skipping.
Residue ILE  339 is missing expected H atoms. Skipping.
Residue MET  340 is missing expected H atoms. Skipping.
Residue LEU  342 is missing expected H atoms. Skipping.
Residue LYS  344 is missing expected H atoms. Skipping.
Residue VAL  347 is missing expected H atoms. Skipping.
Residue LEU  348 is missing expected H atoms. Skipping.
Residue LEU  351 is missing expected H atoms. Skipping.
Residue ILE  352 is missing expected H atoms. Skipping.
Residue THR  353 is missing expected H atoms. Skipping.
Residue VAL  354 is missing expected H atoms. Skipping.
Residue ILE  357 is missing expected H atoms. Skipping.
Residue VAL  358 is missing expected H atoms. Skipping.
Residue THR  359 is missing expected H atoms. Skipping.
Residue LYS  361 is missing expected H atoms. Skipping.
Residue SER  363 is missing expected H atoms. Skipping.
Residue VAL  365 is missing expected H atoms. Skipping.
Residue ILE  367 is missing expected H atoms. Skipping.
Residue ALA  369 is missing expected H atoms. Skipping.
Residue SER  376 is missing expected H atoms. Skipping.
Residue TYR  377 is missing expected H atoms. Skipping.
Residue ILE  378 is missing expected H atoms. Skipping.
Residue ILE  379 is missing expected H atoms. Skipping.
Residue ILE  380 is missing expected H atoms. Skipping.
Residue VAL  382 is missing expected H atoms. Skipping.
Residue LEU  387 is missing expected H atoms. Skipping.
Residue LYS  388 is missing expected H atoms. Skipping.
Residue LEU  389 is missing expected H atoms. Skipping.
Residue LYS  393 is missing expected H atoms. Skipping.
Residue LYS  394 is missing expected H atoms. Skipping.
Residue SER  396 is missing expected H atoms. Skipping.
Residue SER  397 is missing expected H atoms. Skipping.
Residue ILE  398 is missing expected H atoms. Skipping.
Residue MET  401 is missing expected H atoms. Skipping.
Residue ILE  402 is missing expected H atoms. Skipping.
Residue THR  404 is missing expected H atoms. Skipping.
Residue THR  405 is missing expected H atoms. Skipping.
Residue MET  406 is missing expected H atoms. Skipping.
Residue ALA  409 is missing expected H atoms. Skipping.
Residue LYS  410 is missing expected H atoms. Skipping.
Residue MET  412 is missing expected H atoms. Skipping.
Residue ALA  413 is missing expected H atoms. Skipping.
Residue ILE  414 is missing expected H atoms. Skipping.
Residue LEU  415 is missing expected H atoms. Skipping.
Residue THR  418 is missing expected H atoms. Skipping.
Residue ALA  419 is missing expected H atoms. Skipping.
Residue SER  424 is missing expected H atoms. Skipping.
Residue LEU  425 is missing expected H atoms. Skipping.
Residue VAL  428 is missing expected H atoms. Skipping.
Residue THR  430 is missing expected H atoms. Skipping.
Residue SER  431 is missing expected H atoms. Skipping.
Residue ILE  432 is missing expected H atoms. Skipping.
Residue LYS  434 is missing expected H atoms. Skipping.
Residue ALA  435 is missing expected H atoms. Skipping.
Residue LEU  436 is missing expected H atoms. Skipping.
Residue VAL  439 is missing expected H atoms. Skipping.
Residue ALA  442 is missing expected H atoms. Skipping.
Residue ILE  443 is missing expected H atoms. Skipping.
Residue TYR  444 is missing expected H atoms. Skipping.
Residue ALA  446 is missing expected H atoms. Skipping.
Residue ALA  447 is missing expected H atoms. Skipping.
Residue SER  449 is missing expected H atoms. Skipping.
Residue VAL  451 is missing expected H atoms. Skipping.
Residue SER  452 is missing expected H atoms. Skipping.
Residue ILE  454 is missing expected H atoms. Skipping.
Residue MET  455 is missing expected H atoms. Skipping.
Residue LYS  456 is missing expected H atoms. Skipping.
Residue ILE  457 is missing expected H atoms. Skipping.
Residue LEU  458 is missing expected H atoms. Skipping.
Residue ILE  459 is missing expected H atoms. Skipping.
Residue VAL  461 is missing expected H atoms. Skipping.
Residue ILE  462 is missing expected H atoms. Skipping.
Residue ILE  463 is missing expected H atoms. Skipping.
Residue THR  464 is missing expected H atoms. Skipping.
Residue ILE  466 is missing expected H atoms. Skipping.
Residue MET  468 is missing expected H atoms. Skipping.
Residue SER  470 is missing expected H atoms. Skipping.
Residue SER  472 is missing expected H atoms. Skipping.
Residue THR  473 is missing expected H atoms. Skipping.
Residue SER  474 is missing expected H atoms. Skipping.
Residue LEU  475 is missing expected H atoms. Skipping.
Residue SER  476 is missing expected H atoms. Skipping.
Residue VAL  477 is missing expected H atoms. Skipping.
Residue SER  478 is missing expected H atoms. Skipping.
Residue LEU  479 is missing expected H atoms. Skipping.
Residue VAL  480 is missing expected H atoms. Skipping.
Residue LEU  481 is missing expected H atoms. Skipping.
Residue VAL  482 is missing expected H atoms. Skipping.
Residue VAL  484 is missing expected H atoms. Skipping.
Residue VAL  485 is missing expected H atoms. Skipping.
Residue THR  486 is missing expected H atoms. Skipping.
Residue LEU  487 is missing expected H atoms. Skipping.
Residue TYR  488 is missing expected H atoms. Skipping.
Residue LEU  489 is missing expected H atoms. Skipping.
Residue VAL  491 is missing expected H atoms. Skipping.
Residue MET  492 is missing expected H atoms. Skipping.
Residue VAL  493 is missing expected H atoms. Skipping.
Residue VAL    2 is missing expected H atoms. Skipping.
Residue ALA    3 is missing expected H atoms. Skipping.
Residue LEU    4 is missing expected H atoms. Skipping.
Residue VAL    5 is missing expected H atoms. Skipping.
Residue VAL    8 is missing expected H atoms. Skipping.
Residue MET   10 is missing expected H atoms. Skipping.
Residue LEU   12 is missing expected H atoms. Skipping.
Residue THR   14 is missing expected H atoms. Skipping.
Residue ALA   15 is missing expected H atoms. Skipping.
Residue THR   16 is missing expected H atoms. Skipping.
Residue THR   18 is missing expected H atoms. Skipping.
Residue MET   20 is missing expected H atoms. Skipping.
Residue SER   21 is missing expected H atoms. Skipping.
Residue SER   22 is missing expected H atoms. Skipping.
Residue ALA   25 is missing expected H atoms. Skipping.
Residue LYS   27 is missing expected H atoms. Skipping.
Residue ALA   29 is missing expected H atoms. Skipping.
Residue ILE   32 is missing expected H atoms. Skipping.
Residue THR   34 is missing expected H atoms. Skipping.
Residue ILE   36 is missing expected H atoms. Skipping.
Residue LEU   37 is missing expected H atoms. Skipping.
Residue THR   43 is missing expected H atoms. Skipping.
Residue ILE   44 is missing expected H atoms. Skipping.
Residue MET   45 is missing expected H atoms. Skipping.
Residue ALA   46 is missing expected H atoms. Skipping.
Residue ALA   47 is missing expected H atoms. Skipping.
Residue ILE   48 is missing expected H atoms. Skipping.
Residue LEU   49 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue TYR   51 is missing expected H atoms. Skipping.
Residue THR   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue THR   56 is missing expected H atoms. Skipping.
Residue ALA   61 is missing expected H atoms. Skipping.
Residue LEU   62 is missing expected H atoms. Skipping.
Residue ILE   63 is missing expected H atoms. Skipping.
Residue ILE   65 is missing expected H atoms. Skipping.
Residue LEU   66 is missing expected H atoms. Skipping.
Residue LEU   67 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue ALA   69 is missing expected H atoms. Skipping.
Residue VAL   70 is missing expected H atoms. Skipping.
Residue ALA   71 is missing expected H atoms. Skipping.
Evaluate side-chains
  407 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 154
    poor density    : 253
  time to evaluate  : 1.112 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
REVERT: A   98 ASP cc_start: 0.8300 (OUTLIER) cc_final: 0.8015 (m-30)
REVERT: A   99 ARG cc_start: 0.7344 (OUTLIER) cc_final: 0.7023 (ttp-170)
REVERT: A  135 LEU cc_start: 0.8654 (OUTLIER) cc_final: 0.8236 (tm)
REVERT: A  157 LYS cc_start: 0.7915 (OUTLIER) cc_final: 0.7429 (ptmt)
REVERT: A  247 LYS cc_start: 0.7760 (OUTLIER) cc_final: 0.7098 (mmmt)
REVERT: A  260 MET cc_start: 0.6890 (tpp) cc_final: 0.6512 (tpt)
REVERT: A  277 LEU cc_start: 0.8588 (OUTLIER) cc_final: 0.7986 (pt)
REVERT: A  422 PHE cc_start: 0.7191 (OUTLIER) cc_final: 0.5414 (t80)
REVERT: A  443 ILE cc_start: 0.7898 (tp) cc_final: 0.7672 (tt)
REVERT: B   27 LYS cc_start: 0.7263 (ttpp) cc_final: 0.6765 (tppt)
REVERT: B   31 ARG cc_start: 0.7781 (ppt-90) cc_final: 0.7198 (ttp80)
REVERT: C   64 LYS cc_start: 0.6407 (OUTLIER) cc_final: 0.5732 (ptmt)
REVERT: C   73 ARG cc_start: 0.6645 (OUTLIER) cc_final: 0.6074 (ttm-80)
REVERT: C   98 ASP cc_start: 0.8423 (OUTLIER) cc_final: 0.8208 (m-30)
REVERT: C  157 LYS cc_start: 0.7655 (OUTLIER) cc_final: 0.7100 (ptmt)
REVERT: C  199 LEU cc_start: 0.8250 (OUTLIER) cc_final: 0.8049 (tp)
REVERT: C  204 LYS cc_start: 0.7799 (OUTLIER) cc_final: 0.7372 (ptpp)
REVERT: C  247 LYS cc_start: 0.7995 (OUTLIER) cc_final: 0.7398 (mmmt)
REVERT: C  269 GLU cc_start: 0.8482 (tt0) cc_final: 0.8150 (pm20)
REVERT: C  323 ARG cc_start: 0.7480 (OUTLIER) cc_final: 0.7166 (tpp-160)
REVERT: C  402 ILE cc_start: 0.7973 (OUTLIER) cc_final: 0.7431 (mm)
REVERT: C  434 LYS cc_start: 0.7257 (OUTLIER) cc_final: 0.7010 (ttpt)
REVERT: C  443 ILE cc_start: 0.8087 (tp) cc_final: 0.7806 (tt)
REVERT: C  492 MET cc_start: 0.7708 (tpp) cc_final: 0.7351 (tpp)
REVERT: D   26 TRP cc_start: 0.6687 (OUTLIER) cc_final: 0.6308 (m100)
  outliers start: 154
  outliers final: 116
  residues processed: 346
  average time/residue: 0.2319
  time to fit residues: 110.6373
Evaluate side-chains
  383 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 134
    poor density    : 249
  time to evaluate  : 1.009 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue    1 MET
Chi-restraints excluded: chain A residue   10 ASP
Chi-restraints excluded: chain A residue   20 TRP
Chi-restraints excluded: chain A residue   23 ILE
Chi-restraints excluded: chain A residue   25 LEU
Chi-restraints excluded: chain A residue   45 LEU
Chi-restraints excluded: chain A residue   48 THR
Chi-restraints excluded: chain A residue   58 LYS
Chi-restraints excluded: chain A residue   61 ILE
Chi-restraints excluded: chain A residue   65 LEU
Chi-restraints excluded: chain A residue   69 THR
Chi-restraints excluded: chain A residue   73 ARG
Chi-restraints excluded: chain A residue   84 GLU
Chi-restraints excluded: chain A residue   95 SER
Chi-restraints excluded: chain A residue   98 ASP
Chi-restraints excluded: chain A residue   99 ARG
Chi-restraints excluded: chain A residue  113 ILE
Chi-restraints excluded: chain A residue  118 MET
Chi-restraints excluded: chain A residue  125 MET
Chi-restraints excluded: chain A residue  129 VAL
Chi-restraints excluded: chain A residue  135 LEU
Chi-restraints excluded: chain A residue  141 ILE
Chi-restraints excluded: chain A residue  157 LYS
Chi-restraints excluded: chain A residue  158 HIS
Chi-restraints excluded: chain A residue  162 ILE
Chi-restraints excluded: chain A residue  164 ILE
Chi-restraints excluded: chain A residue  170 ILE
Chi-restraints excluded: chain A residue  174 GLU
Chi-restraints excluded: chain A residue  175 LEU
Chi-restraints excluded: chain A residue  196 MET
Chi-restraints excluded: chain A residue  207 LEU
Chi-restraints excluded: chain A residue  240 PHE
Chi-restraints excluded: chain A residue  244 HIS
Chi-restraints excluded: chain A residue  247 LYS
Chi-restraints excluded: chain A residue  270 ILE
Chi-restraints excluded: chain A residue  277 LEU
Chi-restraints excluded: chain A residue  280 THR
Chi-restraints excluded: chain A residue  287 LEU
Chi-restraints excluded: chain A residue  299 TYR
Chi-restraints excluded: chain A residue  302 CYS
Chi-restraints excluded: chain A residue  308 VAL
Chi-restraints excluded: chain A residue  312 ILE
Chi-restraints excluded: chain A residue  324 VAL
Chi-restraints excluded: chain A residue  335 ILE
Chi-restraints excluded: chain A residue  338 GLU
Chi-restraints excluded: chain A residue  340 MET
Chi-restraints excluded: chain A residue  348 LEU
Chi-restraints excluded: chain A residue  351 LEU
Chi-restraints excluded: chain A residue  357 ILE
Chi-restraints excluded: chain A residue  380 ILE
Chi-restraints excluded: chain A residue  402 ILE
Chi-restraints excluded: chain A residue  422 PHE
Chi-restraints excluded: chain A residue  432 ILE
Chi-restraints excluded: chain A residue  448 PHE
Chi-restraints excluded: chain A residue  454 ILE
Chi-restraints excluded: chain A residue  457 ILE
Chi-restraints excluded: chain A residue  466 ILE
Chi-restraints excluded: chain A residue  480 VAL
Chi-restraints excluded: chain A residue  491 VAL
Chi-restraints excluded: chain B residue   14 THR
Chi-restraints excluded: chain B residue   32 ILE
Chi-restraints excluded: chain B residue   36 ILE
Chi-restraints excluded: chain B residue   37 LEU
Chi-restraints excluded: chain B residue   65 ILE
Chi-restraints excluded: chain B residue   67 LEU
Chi-restraints excluded: chain C residue    3 CYS
Chi-restraints excluded: chain C residue   10 ASP
Chi-restraints excluded: chain C residue   20 TRP
Chi-restraints excluded: chain C residue   25 LEU
Chi-restraints excluded: chain C residue   45 LEU
Chi-restraints excluded: chain C residue   48 THR
Chi-restraints excluded: chain C residue   58 LYS
Chi-restraints excluded: chain C residue   61 ILE
Chi-restraints excluded: chain C residue   64 LYS
Chi-restraints excluded: chain C residue   65 LEU
Chi-restraints excluded: chain C residue   68 THR
Chi-restraints excluded: chain C residue   69 THR
Chi-restraints excluded: chain C residue   71 ASP
Chi-restraints excluded: chain C residue   73 ARG
Chi-restraints excluded: chain C residue   84 GLU
Chi-restraints excluded: chain C residue   95 SER
Chi-restraints excluded: chain C residue   98 ASP
Chi-restraints excluded: chain C residue  107 LEU
Chi-restraints excluded: chain C residue  113 ILE
Chi-restraints excluded: chain C residue  122 LYS
Chi-restraints excluded: chain C residue  125 MET
Chi-restraints excluded: chain C residue  126 LYS
Chi-restraints excluded: chain C residue  129 VAL
Chi-restraints excluded: chain C residue  135 LEU
Chi-restraints excluded: chain C residue  141 ILE
Chi-restraints excluded: chain C residue  157 LYS
Chi-restraints excluded: chain C residue  158 HIS
Chi-restraints excluded: chain C residue  161 GLU
Chi-restraints excluded: chain C residue  162 ILE
Chi-restraints excluded: chain C residue  164 ILE
Chi-restraints excluded: chain C residue  170 ILE
Chi-restraints excluded: chain C residue  180 THR
Chi-restraints excluded: chain C residue  196 MET
Chi-restraints excluded: chain C residue  199 LEU
Chi-restraints excluded: chain C residue  204 LYS
Chi-restraints excluded: chain C residue  240 PHE
Chi-restraints excluded: chain C residue  244 HIS
Chi-restraints excluded: chain C residue  247 LYS
Chi-restraints excluded: chain C residue  270 ILE
Chi-restraints excluded: chain C residue  280 THR
Chi-restraints excluded: chain C residue  283 LEU
Chi-restraints excluded: chain C residue  287 LEU
Chi-restraints excluded: chain C residue  294 LEU
Chi-restraints excluded: chain C residue  299 TYR
Chi-restraints excluded: chain C residue  302 CYS
Chi-restraints excluded: chain C residue  312 ILE
Chi-restraints excluded: chain C residue  323 ARG
Chi-restraints excluded: chain C residue  324 VAL
Chi-restraints excluded: chain C residue  335 ILE
Chi-restraints excluded: chain C residue  338 GLU
Chi-restraints excluded: chain C residue  351 LEU
Chi-restraints excluded: chain C residue  366 ASN
Chi-restraints excluded: chain C residue  380 ILE
Chi-restraints excluded: chain C residue  389 LEU
Chi-restraints excluded: chain C residue  402 ILE
Chi-restraints excluded: chain C residue  422 PHE
Chi-restraints excluded: chain C residue  432 ILE
Chi-restraints excluded: chain C residue  434 LYS
Chi-restraints excluded: chain C residue  454 ILE
Chi-restraints excluded: chain C residue  457 ILE
Chi-restraints excluded: chain C residue  466 ILE
Chi-restraints excluded: chain C residue  481 LEU
Chi-restraints excluded: chain C residue  484 VAL
Chi-restraints excluded: chain D residue   14 THR
Chi-restraints excluded: chain D residue   26 TRP
Chi-restraints excluded: chain D residue   36 ILE
Chi-restraints excluded: chain D residue   37 LEU
Chi-restraints excluded: chain D residue   44 ILE
Chi-restraints excluded: chain D residue   52 THR
Rotamers are restrained with sigma=3.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 112
   random chunks:
   chunk 15 optimal weight:   40.0000
   chunk 93 optimal weight:   20.0000
   chunk 53 optimal weight:   10.0000
   chunk 65 optimal weight:    7.9990
   chunk 38 optimal weight:   20.0000
   chunk 41 optimal weight:   20.0000
   chunk 74 optimal weight:    5.9990
   chunk 86 optimal weight:   10.0000
   chunk 30 optimal weight:   30.0000
   chunk 58 optimal weight:   20.0000
   chunk 110 optimal weight:   20.0000
   overall best weight:   10.7996

-------------------------------------------------------------------------------
NQH flips
*********
Analyzing N/Q/H residues for possible flip corrections...

Flipped N/Q/H residues before XYZ refinement:
** A  27 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
A 203 ASN
** B   7 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** B  59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
** C  27 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** C 103 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
C 149 HIS
** C 276 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** C 355 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** D   7 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** D  59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**

Total number of N/Q/H flips: 2

-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.3712 r_free = 0.3712 target = 0.144053 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 41)----------------|
| r_work = 0.3585 r_free = 0.3585 target = 0.134032 restraints weight = 21895.305|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 33)----------------|
| r_work = 0.3617 r_free = 0.3617 target = 0.136611 restraints weight = 11030.849|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 51)----------------|
| r_work = 0.3639 r_free = 0.3639 target = 0.138363 restraints weight = 6569.852|
|-----------------------------------------------------------------------------|
r_work (final): 0.3644
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7371
moved from start:          0.4968

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.005   0.037   8986  Z= 0.336
  Angle     :  0.856   9.742  12164  Z= 0.434
  Chirality :  0.046   0.231   1412
  Planarity :  0.005   0.039   1520
  Dihedral  : 12.328  88.425   1480
  Min Nonbonded Distance : 2.202

Molprobity Statistics.
  All-atom Clashscore : 78.54
  Ramachandran Plot:
    Outliers :  4.17 %
    Allowed  : 25.22 %
    Favored  : 70.60 %
  Rotamer:
    Outliers : 15.83 %
    Allowed  : 26.31 %
    Favored  : 57.86 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.18 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole: -5.32 (0.21), residues: 1126
  helix: -2.13 (0.25), residues: 302
  sheet: -2.42 (0.31), residues: 286
  loop : -5.18 (0.18), residues: 538

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.017   0.002   TRP A 220 
 HIS   0.007   0.002   HIS C 282 
 PHE   0.025   0.002   PHE A 373 
 TYR   0.017   0.003   TYR A 326 
 ARG   0.003   0.001   ARG A 471 

*********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************

-------------------------------------------------------------------------------
Update Rama plot phi/psi targets (oldfield only)
************************************************

  2252 Ramachandran restraints generated.
    1126 Oldfield, 0 Emsley, 1126 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  2252 Ramachandran restraints generated.
    1126 Oldfield, 0 Emsley, 1126 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Residue ILE    4 is missing expected H atoms. Skipping.
Residue ILE    6 is missing expected H atoms. Skipping.
Residue SER    7 is missing expected H atoms. Skipping.
Residue VAL   12 is missing expected H atoms. Skipping.
Residue VAL   15 is missing expected H atoms. Skipping.
Residue SER   16 is missing expected H atoms. Skipping.
Residue SER   19 is missing expected H atoms. Skipping.
Residue VAL   21 is missing expected H atoms. Skipping.
Residue ILE   23 is missing expected H atoms. Skipping.
Residue VAL   24 is missing expected H atoms. Skipping.
Residue LEU   25 is missing expected H atoms. Skipping.
Residue SER   29 is missing expected H atoms. Skipping.
Residue VAL   31 is missing expected H atoms. Skipping.
Residue THR   32 is missing expected H atoms. Skipping.
Residue THR   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   35 is missing expected H atoms. Skipping.
Residue LYS   36 is missing expected H atoms. Skipping.
Residue LYS   38 is missing expected H atoms. Skipping.
Residue THR   40 is missing expected H atoms. Skipping.
Residue LEU   41 is missing expected H atoms. Skipping.
Residue LEU   45 is missing expected H atoms. Skipping.
Residue ILE   46 is missing expected H atoms. Skipping.
Residue THR   48 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue LYS   51 is missing expected H atoms. Skipping.
Residue ALA   54 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue LEU   56 is missing expected H atoms. Skipping.
Residue LYS   58 is missing expected H atoms. Skipping.
Residue TYR   59 is missing expected H atoms. Skipping.
Residue ILE   61 is missing expected H atoms. Skipping.
Residue ALA   63 is missing expected H atoms. Skipping.
Residue LYS   64 is missing expected H atoms. Skipping.
Residue LEU   65 is missing expected H atoms. Skipping.
Residue THR   66 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue THR   69 is missing expected H atoms. Skipping.
Residue THR   70 is missing expected H atoms. Skipping.
Residue SER   72 is missing expected H atoms. Skipping.
Residue THR   76 is missing expected H atoms. Skipping.
Residue SER   81 is missing expected H atoms. Skipping.
Residue LEU   82 is missing expected H atoms. Skipping.
Residue LYS   88 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue LYS   93 is missing expected H atoms. Skipping.
Residue SER   95 is missing expected H atoms. Skipping.
Residue MET   96 is missing expected H atoms. Skipping.
Residue VAL   97 is missing expected H atoms. Skipping.
Residue LEU  107 is missing expected H atoms. Skipping.
Residue LYS  110 is missing expected H atoms. Skipping.
Residue ILE  113 is missing expected H atoms. Skipping.
Residue VAL  114 is missing expected H atoms. Skipping.
Residue THR  115 is missing expected H atoms. Skipping.
Residue ALA  117 is missing expected H atoms. Skipping.
Residue MET  118 is missing expected H atoms. Skipping.
Residue THR  120 is missing expected H atoms. Skipping.
Residue LYS  122 is missing expected H atoms. Skipping.
Residue LYS  123 is missing expected H atoms. Skipping.
Residue MET  125 is missing expected H atoms. Skipping.
Residue LYS  126 is missing expected H atoms. Skipping.
Residue LYS  128 is missing expected H atoms. Skipping.
Residue VAL  129 is missing expected H atoms. Skipping.
Residue VAL  130 is missing expected H atoms. Skipping.
Residue LEU  135 is missing expected H atoms. Skipping.
Residue TYR  137 is missing expected H atoms. Skipping.
Residue THR  138 is missing expected H atoms. Skipping.
Residue ILE  139 is missing expected H atoms. Skipping.
Residue VAL  140 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue THR  142 is missing expected H atoms. Skipping.
Residue SER  145 is missing expected H atoms. Skipping.
Residue ALA  150 is missing expected H atoms. Skipping.
Residue VAL  151 is missing expected H atoms. Skipping.
Residue THR  155 is missing expected H atoms. Skipping.
Residue LYS  157 is missing expected H atoms. Skipping.
Residue LYS  160 is missing expected H atoms. Skipping.
Residue ILE  162 is missing expected H atoms. Skipping.
Residue LYS  163 is missing expected H atoms. Skipping.
Residue ILE  164 is missing expected H atoms. Skipping.
Residue THR  165 is missing expected H atoms. Skipping.
Residue SER  168 is missing expected H atoms. Skipping.
Residue SER  169 is missing expected H atoms. Skipping.
Residue ILE  170 is missing expected H atoms. Skipping.
Residue THR  171 is missing expected H atoms. Skipping.
Residue ALA  173 is missing expected H atoms. Skipping.
Residue LEU  175 is missing expected H atoms. Skipping.
Residue THR  176 is missing expected H atoms. Skipping.
Residue TYR  178 is missing expected H atoms. Skipping.
Residue THR  180 is missing expected H atoms. Skipping.
Residue VAL  181 is missing expected H atoms. Skipping.
Residue THR  182 is missing expected H atoms. Skipping.
Residue MET  183 is missing expected H atoms. Skipping.
Residue SER  186 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue LEU  191 is missing expected H atoms. Skipping.
Residue MET  196 is missing expected H atoms. Skipping.
Residue VAL  197 is missing expected H atoms. Skipping.
Residue LEU  198 is missing expected H atoms. Skipping.
Residue LEU  199 is missing expected H atoms. Skipping.
Residue MET  201 is missing expected H atoms. Skipping.
Residue LYS  204 is missing expected H atoms. Skipping.
Residue ALA  205 is missing expected H atoms. Skipping.
Residue LEU  207 is missing expected H atoms. Skipping.
Residue VAL  208 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue LEU  216 is missing expected H atoms. Skipping.
Residue LEU  218 is missing expected H atoms. Skipping.
Residue LEU  221 is missing expected H atoms. Skipping.
Residue ALA  224 is missing expected H atoms. Skipping.
Residue THR  226 is missing expected H atoms. Skipping.
Residue SER  229 is missing expected H atoms. Skipping.
Residue ILE  232 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue THR  236 is missing expected H atoms. Skipping.
Residue LEU  237 is missing expected H atoms. Skipping.
Residue VAL  238 is missing expected H atoms. Skipping.
Residue THR  239 is missing expected H atoms. Skipping.
Residue LYS  241 is missing expected H atoms. Skipping.
Residue ALA  245 is missing expected H atoms. Skipping.
Residue LYS  246 is missing expected H atoms. Skipping.
Residue LYS  247 is missing expected H atoms. Skipping.
Residue VAL  250 is missing expected H atoms. Skipping.
Residue VAL  251 is missing expected H atoms. Skipping.
Residue VAL  252 is missing expected H atoms. Skipping.
Residue LEU  253 is missing expected H atoms. Skipping.
Residue SER  255 is missing expected H atoms. Skipping.
Residue ALA  259 is missing expected H atoms. Skipping.
Residue MET  260 is missing expected H atoms. Skipping.
Residue THR  262 is missing expected H atoms. Skipping.
Residue ALA  263 is missing expected H atoms. Skipping.
Residue LEU  264 is missing expected H atoms. Skipping.
Residue THR  265 is missing expected H atoms. Skipping.
Residue ALA  267 is missing expected H atoms. Skipping.
Residue THR  268 is missing expected H atoms. Skipping.
Residue ILE  270 is missing expected H atoms. Skipping.
Residue MET  272 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue SER  274 is missing expected H atoms. Skipping.
Residue LEU  277 is missing expected H atoms. Skipping.
Residue LEU  278 is missing expected H atoms. Skipping.
Residue THR  280 is missing expected H atoms. Skipping.
Residue LEU  283 is missing expected H atoms. Skipping.
Residue LYS  284 is missing expected H atoms. Skipping.
Residue LEU  287 is missing expected H atoms. Skipping.
Residue MET  289 is missing expected H atoms. Skipping.
Residue LYS  291 is missing expected H atoms. Skipping.
Residue LEU  292 is missing expected H atoms. Skipping.
Residue LEU  294 is missing expected H atoms. Skipping.
Residue LYS  295 is missing expected H atoms. Skipping.
Residue MET  297 is missing expected H atoms. Skipping.
Residue SER  298 is missing expected H atoms. Skipping.
Residue TYR  299 is missing expected H atoms. Skipping.
Residue SER  300 is missing expected H atoms. Skipping.
Residue MET  301 is missing expected H atoms. Skipping.
Residue THR  303 is missing expected H atoms. Skipping.
Residue LYS  305 is missing expected H atoms. Skipping.
Residue LYS  307 is missing expected H atoms. Skipping.
Residue VAL  308 is missing expected H atoms. Skipping.
Residue VAL  309 is missing expected H atoms. Skipping.
Residue LYS  310 is missing expected H atoms. Skipping.
Residue ILE  312 is missing expected H atoms. Skipping.
Residue ALA  313 is missing expected H atoms. Skipping.
Residue THR  315 is missing expected H atoms. Skipping.
Residue THR  319 is missing expected H atoms. Skipping.
Residue ILE  320 is missing expected H atoms. Skipping.
Residue VAL  321 is missing expected H atoms. Skipping.
Residue ILE  322 is missing expected H atoms. Skipping.
Residue VAL  324 is missing expected H atoms. Skipping.
Residue TYR  326 is missing expected H atoms. Skipping.
Residue SER  331 is missing expected H atoms. Skipping.
Residue LYS  334 is missing expected H atoms. Skipping.
Residue ILE  335 is missing expected H atoms. Skipping.
Residue ILE  339 is missing expected H atoms. Skipping.
Residue MET  340 is missing expected H atoms. Skipping.
Residue LEU  342 is missing expected H atoms. Skipping.
Residue LYS  344 is missing expected H atoms. Skipping.
Residue VAL  347 is missing expected H atoms. Skipping.
Residue LEU  348 is missing expected H atoms. Skipping.
Residue LEU  351 is missing expected H atoms. Skipping.
Residue ILE  352 is missing expected H atoms. Skipping.
Residue THR  353 is missing expected H atoms. Skipping.
Residue VAL  354 is missing expected H atoms. Skipping.
Residue ILE  357 is missing expected H atoms. Skipping.
Residue VAL  358 is missing expected H atoms. Skipping.
Residue THR  359 is missing expected H atoms. Skipping.
Residue LYS  361 is missing expected H atoms. Skipping.
Residue SER  363 is missing expected H atoms. Skipping.
Residue VAL  365 is missing expected H atoms. Skipping.
Residue ILE  367 is missing expected H atoms. Skipping.
Residue ALA  369 is missing expected H atoms. Skipping.
Residue SER  376 is missing expected H atoms. Skipping.
Residue TYR  377 is missing expected H atoms. Skipping.
Residue ILE  378 is missing expected H atoms. Skipping.
Residue ILE  379 is missing expected H atoms. Skipping.
Residue ILE  380 is missing expected H atoms. Skipping.
Residue VAL  382 is missing expected H atoms. Skipping.
Residue LEU  387 is missing expected H atoms. Skipping.
Residue LYS  388 is missing expected H atoms. Skipping.
Residue LEU  389 is missing expected H atoms. Skipping.
Residue LYS  393 is missing expected H atoms. Skipping.
Residue LYS  394 is missing expected H atoms. Skipping.
Residue SER  396 is missing expected H atoms. Skipping.
Residue SER  397 is missing expected H atoms. Skipping.
Residue ILE  398 is missing expected H atoms. Skipping.
Residue MET  401 is missing expected H atoms. Skipping.
Residue ILE  402 is missing expected H atoms. Skipping.
Residue THR  404 is missing expected H atoms. Skipping.
Residue THR  405 is missing expected H atoms. Skipping.
Residue MET  406 is missing expected H atoms. Skipping.
Residue ALA  409 is missing expected H atoms. Skipping.
Residue LYS  410 is missing expected H atoms. Skipping.
Residue MET  412 is missing expected H atoms. Skipping.
Residue ALA  413 is missing expected H atoms. Skipping.
Residue ILE  414 is missing expected H atoms. Skipping.
Residue LEU  415 is missing expected H atoms. Skipping.
Residue THR  418 is missing expected H atoms. Skipping.
Residue ALA  419 is missing expected H atoms. Skipping.
Residue SER  424 is missing expected H atoms. Skipping.
Residue LEU  425 is missing expected H atoms. Skipping.
Residue VAL  428 is missing expected H atoms. Skipping.
Residue THR  430 is missing expected H atoms. Skipping.
Residue SER  431 is missing expected H atoms. Skipping.
Residue ILE  432 is missing expected H atoms. Skipping.
Residue LYS  434 is missing expected H atoms. Skipping.
Residue ALA  435 is missing expected H atoms. Skipping.
Residue LEU  436 is missing expected H atoms. Skipping.
Residue VAL  439 is missing expected H atoms. Skipping.
Residue ALA  442 is missing expected H atoms. Skipping.
Residue ILE  443 is missing expected H atoms. Skipping.
Residue TYR  444 is missing expected H atoms. Skipping.
Residue ALA  446 is missing expected H atoms. Skipping.
Residue ALA  447 is missing expected H atoms. Skipping.
Residue SER  449 is missing expected H atoms. Skipping.
Residue VAL  451 is missing expected H atoms. Skipping.
Residue SER  452 is missing expected H atoms. Skipping.
Residue ILE  454 is missing expected H atoms. Skipping.
Residue MET  455 is missing expected H atoms. Skipping.
Residue LYS  456 is missing expected H atoms. Skipping.
Residue ILE  457 is missing expected H atoms. Skipping.
Residue LEU  458 is missing expected H atoms. Skipping.
Residue ILE  459 is missing expected H atoms. Skipping.
Residue VAL  461 is missing expected H atoms. Skipping.
Residue ILE  462 is missing expected H atoms. Skipping.
Residue ILE  463 is missing expected H atoms. Skipping.
Residue THR  464 is missing expected H atoms. Skipping.
Residue ILE  466 is missing expected H atoms. Skipping.
Residue MET  468 is missing expected H atoms. Skipping.
Residue SER  470 is missing expected H atoms. Skipping.
Residue SER  472 is missing expected H atoms. Skipping.
Residue THR  473 is missing expected H atoms. Skipping.
Residue SER  474 is missing expected H atoms. Skipping.
Residue LEU  475 is missing expected H atoms. Skipping.
Residue SER  476 is missing expected H atoms. Skipping.
Residue VAL  477 is missing expected H atoms. Skipping.
Residue SER  478 is missing expected H atoms. Skipping.
Residue LEU  479 is missing expected H atoms. Skipping.
Residue VAL  480 is missing expected H atoms. Skipping.
Residue LEU  481 is missing expected H atoms. Skipping.
Residue VAL  482 is missing expected H atoms. Skipping.
Residue VAL  484 is missing expected H atoms. Skipping.
Residue VAL  485 is missing expected H atoms. Skipping.
Residue THR  486 is missing expected H atoms. Skipping.
Residue LEU  487 is missing expected H atoms. Skipping.
Residue TYR  488 is missing expected H atoms. Skipping.
Residue LEU  489 is missing expected H atoms. Skipping.
Residue VAL  491 is missing expected H atoms. Skipping.
Residue MET  492 is missing expected H atoms. Skipping.
Residue VAL  493 is missing expected H atoms. Skipping.
Residue VAL    2 is missing expected H atoms. Skipping.
Residue ALA    3 is missing expected H atoms. Skipping.
Residue LEU    4 is missing expected H atoms. Skipping.
Residue VAL    5 is missing expected H atoms. Skipping.
Residue VAL    8 is missing expected H atoms. Skipping.
Residue MET   10 is missing expected H atoms. Skipping.
Residue LEU   12 is missing expected H atoms. Skipping.
Residue THR   14 is missing expected H atoms. Skipping.
Residue ALA   15 is missing expected H atoms. Skipping.
Residue THR   16 is missing expected H atoms. Skipping.
Residue THR   18 is missing expected H atoms. Skipping.
Residue MET   20 is missing expected H atoms. Skipping.
Residue SER   21 is missing expected H atoms. Skipping.
Residue SER   22 is missing expected H atoms. Skipping.
Residue ALA   25 is missing expected H atoms. Skipping.
Residue LYS   27 is missing expected H atoms. Skipping.
Residue ALA   29 is missing expected H atoms. Skipping.
Residue ILE   32 is missing expected H atoms. Skipping.
Residue THR   34 is missing expected H atoms. Skipping.
Residue ILE   36 is missing expected H atoms. Skipping.
Residue LEU   37 is missing expected H atoms. Skipping.
Residue THR   43 is missing expected H atoms. Skipping.
Residue ILE   44 is missing expected H atoms. Skipping.
Residue MET   45 is missing expected H atoms. Skipping.
Residue ALA   46 is missing expected H atoms. Skipping.
Residue ALA   47 is missing expected H atoms. Skipping.
Residue ILE   48 is missing expected H atoms. Skipping.
Residue LEU   49 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue TYR   51 is missing expected H atoms. Skipping.
Residue THR   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue THR   56 is missing expected H atoms. Skipping.
Residue ALA   61 is missing expected H atoms. Skipping.
Residue LEU   62 is missing expected H atoms. Skipping.
Residue ILE   63 is missing expected H atoms. Skipping.
Residue ILE   65 is missing expected H atoms. Skipping.
Residue LEU   66 is missing expected H atoms. Skipping.
Residue LEU   67 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue ALA   69 is missing expected H atoms. Skipping.
Residue VAL   70 is missing expected H atoms. Skipping.
Residue ALA   71 is missing expected H atoms. Skipping.
Residue ILE    4 is missing expected H atoms. Skipping.
Residue ILE    6 is missing expected H atoms. Skipping.
Residue SER    7 is missing expected H atoms. Skipping.
Residue VAL   12 is missing expected H atoms. Skipping.
Residue VAL   15 is missing expected H atoms. Skipping.
Residue SER   16 is missing expected H atoms. Skipping.
Residue SER   19 is missing expected H atoms. Skipping.
Residue VAL   21 is missing expected H atoms. Skipping.
Residue ILE   23 is missing expected H atoms. Skipping.
Residue VAL   24 is missing expected H atoms. Skipping.
Residue LEU   25 is missing expected H atoms. Skipping.
Residue SER   29 is missing expected H atoms. Skipping.
Residue VAL   31 is missing expected H atoms. Skipping.
Residue THR   32 is missing expected H atoms. Skipping.
Residue THR   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   35 is missing expected H atoms. Skipping.
Residue LYS   36 is missing expected H atoms. Skipping.
Residue LYS   38 is missing expected H atoms. Skipping.
Residue THR   40 is missing expected H atoms. Skipping.
Residue LEU   41 is missing expected H atoms. Skipping.
Residue LEU   45 is missing expected H atoms. Skipping.
Residue ILE   46 is missing expected H atoms. Skipping.
Residue THR   48 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue LYS   51 is missing expected H atoms. Skipping.
Residue ALA   54 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue LEU   56 is missing expected H atoms. Skipping.
Residue LYS   58 is missing expected H atoms. Skipping.
Residue TYR   59 is missing expected H atoms. Skipping.
Residue ILE   61 is missing expected H atoms. Skipping.
Residue ALA   63 is missing expected H atoms. Skipping.
Residue LYS   64 is missing expected H atoms. Skipping.
Residue LEU   65 is missing expected H atoms. Skipping.
Residue THR   66 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue THR   69 is missing expected H atoms. Skipping.
Residue THR   70 is missing expected H atoms. Skipping.
Residue SER   72 is missing expected H atoms. Skipping.
Residue THR   76 is missing expected H atoms. Skipping.
Residue SER   81 is missing expected H atoms. Skipping.
Residue LEU   82 is missing expected H atoms. Skipping.
Residue LYS   88 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue LYS   93 is missing expected H atoms. Skipping.
Residue SER   95 is missing expected H atoms. Skipping.
Residue MET   96 is missing expected H atoms. Skipping.
Residue VAL   97 is missing expected H atoms. Skipping.
Residue LEU  107 is missing expected H atoms. Skipping.
Residue LYS  110 is missing expected H atoms. Skipping.
Residue ILE  113 is missing expected H atoms. Skipping.
Residue VAL  114 is missing expected H atoms. Skipping.
Residue THR  115 is missing expected H atoms. Skipping.
Residue ALA  117 is missing expected H atoms. Skipping.
Residue MET  118 is missing expected H atoms. Skipping.
Residue THR  120 is missing expected H atoms. Skipping.
Residue LYS  122 is missing expected H atoms. Skipping.
Residue LYS  123 is missing expected H atoms. Skipping.
Residue MET  125 is missing expected H atoms. Skipping.
Residue LYS  126 is missing expected H atoms. Skipping.
Residue LYS  128 is missing expected H atoms. Skipping.
Residue VAL  129 is missing expected H atoms. Skipping.
Residue VAL  130 is missing expected H atoms. Skipping.
Residue LEU  135 is missing expected H atoms. Skipping.
Residue TYR  137 is missing expected H atoms. Skipping.
Residue THR  138 is missing expected H atoms. Skipping.
Residue ILE  139 is missing expected H atoms. Skipping.
Residue VAL  140 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue THR  142 is missing expected H atoms. Skipping.
Residue SER  145 is missing expected H atoms. Skipping.
Residue ALA  150 is missing expected H atoms. Skipping.
Residue VAL  151 is missing expected H atoms. Skipping.
Residue THR  155 is missing expected H atoms. Skipping.
Residue LYS  157 is missing expected H atoms. Skipping.
Residue LYS  160 is missing expected H atoms. Skipping.
Residue ILE  162 is missing expected H atoms. Skipping.
Residue LYS  163 is missing expected H atoms. Skipping.
Residue ILE  164 is missing expected H atoms. Skipping.
Residue THR  165 is missing expected H atoms. Skipping.
Residue SER  168 is missing expected H atoms. Skipping.
Residue SER  169 is missing expected H atoms. Skipping.
Residue ILE  170 is missing expected H atoms. Skipping.
Residue THR  171 is missing expected H atoms. Skipping.
Residue ALA  173 is missing expected H atoms. Skipping.
Residue LEU  175 is missing expected H atoms. Skipping.
Residue THR  176 is missing expected H atoms. Skipping.
Residue TYR  178 is missing expected H atoms. Skipping.
Residue THR  180 is missing expected H atoms. Skipping.
Residue VAL  181 is missing expected H atoms. Skipping.
Residue THR  182 is missing expected H atoms. Skipping.
Residue MET  183 is missing expected H atoms. Skipping.
Residue SER  186 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue LEU  191 is missing expected H atoms. Skipping.
Residue MET  196 is missing expected H atoms. Skipping.
Residue VAL  197 is missing expected H atoms. Skipping.
Residue LEU  198 is missing expected H atoms. Skipping.
Residue LEU  199 is missing expected H atoms. Skipping.
Residue MET  201 is missing expected H atoms. Skipping.
Residue LYS  204 is missing expected H atoms. Skipping.
Residue ALA  205 is missing expected H atoms. Skipping.
Residue LEU  207 is missing expected H atoms. Skipping.
Residue VAL  208 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue LEU  216 is missing expected H atoms. Skipping.
Residue LEU  218 is missing expected H atoms. Skipping.
Residue LEU  221 is missing expected H atoms. Skipping.
Residue ALA  224 is missing expected H atoms. Skipping.
Residue THR  226 is missing expected H atoms. Skipping.
Residue SER  229 is missing expected H atoms. Skipping.
Residue ILE  232 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue THR  236 is missing expected H atoms. Skipping.
Residue LEU  237 is missing expected H atoms. Skipping.
Residue VAL  238 is missing expected H atoms. Skipping.
Residue THR  239 is missing expected H atoms. Skipping.
Residue LYS  241 is missing expected H atoms. Skipping.
Residue ALA  245 is missing expected H atoms. Skipping.
Residue LYS  246 is missing expected H atoms. Skipping.
Residue LYS  247 is missing expected H atoms. Skipping.
Residue VAL  250 is missing expected H atoms. Skipping.
Residue VAL  251 is missing expected H atoms. Skipping.
Residue VAL  252 is missing expected H atoms. Skipping.
Residue LEU  253 is missing expected H atoms. Skipping.
Residue SER  255 is missing expected H atoms. Skipping.
Residue ALA  259 is missing expected H atoms. Skipping.
Residue MET  260 is missing expected H atoms. Skipping.
Residue THR  262 is missing expected H atoms. Skipping.
Residue ALA  263 is missing expected H atoms. Skipping.
Residue LEU  264 is missing expected H atoms. Skipping.
Residue THR  265 is missing expected H atoms. Skipping.
Residue ALA  267 is missing expected H atoms. Skipping.
Residue THR  268 is missing expected H atoms. Skipping.
Residue ILE  270 is missing expected H atoms. Skipping.
Residue MET  272 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue SER  274 is missing expected H atoms. Skipping.
Residue LEU  277 is missing expected H atoms. Skipping.
Residue LEU  278 is missing expected H atoms. Skipping.
Residue THR  280 is missing expected H atoms. Skipping.
Residue LEU  283 is missing expected H atoms. Skipping.
Residue LYS  284 is missing expected H atoms. Skipping.
Residue LEU  287 is missing expected H atoms. Skipping.
Residue MET  289 is missing expected H atoms. Skipping.
Residue LYS  291 is missing expected H atoms. Skipping.
Residue LEU  292 is missing expected H atoms. Skipping.
Residue LEU  294 is missing expected H atoms. Skipping.
Residue LYS  295 is missing expected H atoms. Skipping.
Residue MET  297 is missing expected H atoms. Skipping.
Residue SER  298 is missing expected H atoms. Skipping.
Residue TYR  299 is missing expected H atoms. Skipping.
Residue SER  300 is missing expected H atoms. Skipping.
Residue MET  301 is missing expected H atoms. Skipping.
Residue THR  303 is missing expected H atoms. Skipping.
Residue LYS  305 is missing expected H atoms. Skipping.
Residue LYS  307 is missing expected H atoms. Skipping.
Residue VAL  308 is missing expected H atoms. Skipping.
Residue VAL  309 is missing expected H atoms. Skipping.
Residue LYS  310 is missing expected H atoms. Skipping.
Residue ILE  312 is missing expected H atoms. Skipping.
Residue ALA  313 is missing expected H atoms. Skipping.
Residue THR  315 is missing expected H atoms. Skipping.
Residue THR  319 is missing expected H atoms. Skipping.
Residue ILE  320 is missing expected H atoms. Skipping.
Residue VAL  321 is missing expected H atoms. Skipping.
Residue ILE  322 is missing expected H atoms. Skipping.
Residue VAL  324 is missing expected H atoms. Skipping.
Residue TYR  326 is missing expected H atoms. Skipping.
Residue SER  331 is missing expected H atoms. Skipping.
Residue LYS  334 is missing expected H atoms. Skipping.
Residue ILE  335 is missing expected H atoms. Skipping.
Residue ILE  339 is missing expected H atoms. Skipping.
Residue MET  340 is missing expected H atoms. Skipping.
Residue LEU  342 is missing expected H atoms. Skipping.
Residue LYS  344 is missing expected H atoms. Skipping.
Residue VAL  347 is missing expected H atoms. Skipping.
Residue LEU  348 is missing expected H atoms. Skipping.
Residue LEU  351 is missing expected H atoms. Skipping.
Residue ILE  352 is missing expected H atoms. Skipping.
Residue THR  353 is missing expected H atoms. Skipping.
Residue VAL  354 is missing expected H atoms. Skipping.
Residue ILE  357 is missing expected H atoms. Skipping.
Residue VAL  358 is missing expected H atoms. Skipping.
Residue THR  359 is missing expected H atoms. Skipping.
Residue LYS  361 is missing expected H atoms. Skipping.
Residue SER  363 is missing expected H atoms. Skipping.
Residue VAL  365 is missing expected H atoms. Skipping.
Residue ILE  367 is missing expected H atoms. Skipping.
Residue ALA  369 is missing expected H atoms. Skipping.
Residue SER  376 is missing expected H atoms. Skipping.
Residue TYR  377 is missing expected H atoms. Skipping.
Residue ILE  378 is missing expected H atoms. Skipping.
Residue ILE  379 is missing expected H atoms. Skipping.
Residue ILE  380 is missing expected H atoms. Skipping.
Residue VAL  382 is missing expected H atoms. Skipping.
Residue LEU  387 is missing expected H atoms. Skipping.
Residue LYS  388 is missing expected H atoms. Skipping.
Residue LEU  389 is missing expected H atoms. Skipping.
Residue LYS  393 is missing expected H atoms. Skipping.
Residue LYS  394 is missing expected H atoms. Skipping.
Residue SER  396 is missing expected H atoms. Skipping.
Residue SER  397 is missing expected H atoms. Skipping.
Residue ILE  398 is missing expected H atoms. Skipping.
Residue MET  401 is missing expected H atoms. Skipping.
Residue ILE  402 is missing expected H atoms. Skipping.
Residue THR  404 is missing expected H atoms. Skipping.
Residue THR  405 is missing expected H atoms. Skipping.
Residue MET  406 is missing expected H atoms. Skipping.
Residue ALA  409 is missing expected H atoms. Skipping.
Residue LYS  410 is missing expected H atoms. Skipping.
Residue MET  412 is missing expected H atoms. Skipping.
Residue ALA  413 is missing expected H atoms. Skipping.
Residue ILE  414 is missing expected H atoms. Skipping.
Residue LEU  415 is missing expected H atoms. Skipping.
Residue THR  418 is missing expected H atoms. Skipping.
Residue ALA  419 is missing expected H atoms. Skipping.
Residue SER  424 is missing expected H atoms. Skipping.
Residue LEU  425 is missing expected H atoms. Skipping.
Residue VAL  428 is missing expected H atoms. Skipping.
Residue THR  430 is missing expected H atoms. Skipping.
Residue SER  431 is missing expected H atoms. Skipping.
Residue ILE  432 is missing expected H atoms. Skipping.
Residue LYS  434 is missing expected H atoms. Skipping.
Residue ALA  435 is missing expected H atoms. Skipping.
Residue LEU  436 is missing expected H atoms. Skipping.
Residue VAL  439 is missing expected H atoms. Skipping.
Residue ALA  442 is missing expected H atoms. Skipping.
Residue ILE  443 is missing expected H atoms. Skipping.
Residue TYR  444 is missing expected H atoms. Skipping.
Residue ALA  446 is missing expected H atoms. Skipping.
Residue ALA  447 is missing expected H atoms. Skipping.
Residue SER  449 is missing expected H atoms. Skipping.
Residue VAL  451 is missing expected H atoms. Skipping.
Residue SER  452 is missing expected H atoms. Skipping.
Residue ILE  454 is missing expected H atoms. Skipping.
Residue MET  455 is missing expected H atoms. Skipping.
Residue LYS  456 is missing expected H atoms. Skipping.
Residue ILE  457 is missing expected H atoms. Skipping.
Residue LEU  458 is missing expected H atoms. Skipping.
Residue ILE  459 is missing expected H atoms. Skipping.
Residue VAL  461 is missing expected H atoms. Skipping.
Residue ILE  462 is missing expected H atoms. Skipping.
Residue ILE  463 is missing expected H atoms. Skipping.
Residue THR  464 is missing expected H atoms. Skipping.
Residue ILE  466 is missing expected H atoms. Skipping.
Residue MET  468 is missing expected H atoms. Skipping.
Residue SER  470 is missing expected H atoms. Skipping.
Residue SER  472 is missing expected H atoms. Skipping.
Residue THR  473 is missing expected H atoms. Skipping.
Residue SER  474 is missing expected H atoms. Skipping.
Residue LEU  475 is missing expected H atoms. Skipping.
Residue SER  476 is missing expected H atoms. Skipping.
Residue VAL  477 is missing expected H atoms. Skipping.
Residue SER  478 is missing expected H atoms. Skipping.
Residue LEU  479 is missing expected H atoms. Skipping.
Residue VAL  480 is missing expected H atoms. Skipping.
Residue LEU  481 is missing expected H atoms. Skipping.
Residue VAL  482 is missing expected H atoms. Skipping.
Residue VAL  484 is missing expected H atoms. Skipping.
Residue VAL  485 is missing expected H atoms. Skipping.
Residue THR  486 is missing expected H atoms. Skipping.
Residue LEU  487 is missing expected H atoms. Skipping.
Residue TYR  488 is missing expected H atoms. Skipping.
Residue LEU  489 is missing expected H atoms. Skipping.
Residue VAL  491 is missing expected H atoms. Skipping.
Residue MET  492 is missing expected H atoms. Skipping.
Residue VAL  493 is missing expected H atoms. Skipping.
Residue VAL    2 is missing expected H atoms. Skipping.
Residue ALA    3 is missing expected H atoms. Skipping.
Residue LEU    4 is missing expected H atoms. Skipping.
Residue VAL    5 is missing expected H atoms. Skipping.
Residue VAL    8 is missing expected H atoms. Skipping.
Residue MET   10 is missing expected H atoms. Skipping.
Residue LEU   12 is missing expected H atoms. Skipping.
Residue THR   14 is missing expected H atoms. Skipping.
Residue ALA   15 is missing expected H atoms. Skipping.
Residue THR   16 is missing expected H atoms. Skipping.
Residue THR   18 is missing expected H atoms. Skipping.
Residue MET   20 is missing expected H atoms. Skipping.
Residue SER   21 is missing expected H atoms. Skipping.
Residue SER   22 is missing expected H atoms. Skipping.
Residue ALA   25 is missing expected H atoms. Skipping.
Residue LYS   27 is missing expected H atoms. Skipping.
Residue ALA   29 is missing expected H atoms. Skipping.
Residue ILE   32 is missing expected H atoms. Skipping.
Residue THR   34 is missing expected H atoms. Skipping.
Residue ILE   36 is missing expected H atoms. Skipping.
Residue LEU   37 is missing expected H atoms. Skipping.
Residue THR   43 is missing expected H atoms. Skipping.
Residue ILE   44 is missing expected H atoms. Skipping.
Residue MET   45 is missing expected H atoms. Skipping.
Residue ALA   46 is missing expected H atoms. Skipping.
Residue ALA   47 is missing expected H atoms. Skipping.
Residue ILE   48 is missing expected H atoms. Skipping.
Residue LEU   49 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue TYR   51 is missing expected H atoms. Skipping.
Residue THR   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue THR   56 is missing expected H atoms. Skipping.
Residue ALA   61 is missing expected H atoms. Skipping.
Residue LEU   62 is missing expected H atoms. Skipping.
Residue ILE   63 is missing expected H atoms. Skipping.
Residue ILE   65 is missing expected H atoms. Skipping.
Residue LEU   66 is missing expected H atoms. Skipping.
Residue LEU   67 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue ALA   69 is missing expected H atoms. Skipping.
Residue VAL   70 is missing expected H atoms. Skipping.
Residue ALA   71 is missing expected H atoms. Skipping.
Evaluate side-chains
  396 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 151
    poor density    : 245
  time to evaluate  : 1.028 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
REVERT: A   98 ASP cc_start: 0.8187 (OUTLIER) cc_final: 0.7910 (m-30)
REVERT: A   99 ARG cc_start: 0.7307 (OUTLIER) cc_final: 0.7024 (ttp-170)
REVERT: A  135 LEU cc_start: 0.8670 (OUTLIER) cc_final: 0.8142 (tm)
REVERT: A  157 LYS cc_start: 0.7918 (OUTLIER) cc_final: 0.7399 (ptmt)
REVERT: A  247 LYS cc_start: 0.7831 (OUTLIER) cc_final: 0.7123 (mmtt)
REVERT: A  260 MET cc_start: 0.6915 (tpp) cc_final: 0.6699 (tpt)
REVERT: A  277 LEU cc_start: 0.8635 (OUTLIER) cc_final: 0.8084 (pt)
REVERT: A  422 PHE cc_start: 0.7258 (OUTLIER) cc_final: 0.5356 (t80)
REVERT: A  444 TYR cc_start: 0.6429 (OUTLIER) cc_final: 0.5194 (m-80)
REVERT: B   27 LYS cc_start: 0.7226 (ttpp) cc_final: 0.6723 (tppt)
REVERT: B   31 ARG cc_start: 0.7834 (ppt-90) cc_final: 0.7219 (ttp80)
REVERT: C   64 LYS cc_start: 0.6551 (OUTLIER) cc_final: 0.5904 (ptmt)
REVERT: C  149 HIS cc_start: 0.5626 (OUTLIER) cc_final: 0.4922 (m-70)
REVERT: C  199 LEU cc_start: 0.8263 (OUTLIER) cc_final: 0.7971 (tp)
REVERT: C  204 LYS cc_start: 0.7938 (OUTLIER) cc_final: 0.7592 (ptpp)
REVERT: C  247 LYS cc_start: 0.7975 (OUTLIER) cc_final: 0.7383 (mmmt)
REVERT: C  269 GLU cc_start: 0.8511 (tt0) cc_final: 0.8156 (pm20)
REVERT: C  323 ARG cc_start: 0.7501 (OUTLIER) cc_final: 0.7191 (tpp-160)
REVERT: C  344 LYS cc_start: 0.4357 (mmtt) cc_final: 0.3586 (mtmm)
REVERT: C  402 ILE cc_start: 0.8000 (OUTLIER) cc_final: 0.7450 (mm)
REVERT: C  434 LYS cc_start: 0.7182 (OUTLIER) cc_final: 0.6897 (ttpt)
REVERT: C  443 ILE cc_start: 0.8092 (tp) cc_final: 0.7825 (tt)
REVERT: C  488 TYR cc_start: 0.7042 (t80) cc_final: 0.6231 (t80)
REVERT: C  492 MET cc_start: 0.7687 (tpp) cc_final: 0.7328 (tpp)
REVERT: D   26 TRP cc_start: 0.6667 (OUTLIER) cc_final: 0.6236 (m100)
  outliers start: 151
  outliers final: 115
  residues processed: 343
  average time/residue: 0.2193
  time to fit residues: 104.3026
Evaluate side-chains
  372 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 132
    poor density    : 240
  time to evaluate  : 1.023 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue    1 MET
Chi-restraints excluded: chain A residue    3 CYS
Chi-restraints excluded: chain A residue   10 ASP
Chi-restraints excluded: chain A residue   20 TRP
Chi-restraints excluded: chain A residue   22 ASP
Chi-restraints excluded: chain A residue   23 ILE
Chi-restraints excluded: chain A residue   25 LEU
Chi-restraints excluded: chain A residue   45 LEU
Chi-restraints excluded: chain A residue   58 LYS
Chi-restraints excluded: chain A residue   61 ILE
Chi-restraints excluded: chain A residue   65 LEU
Chi-restraints excluded: chain A residue   69 THR
Chi-restraints excluded: chain A residue   73 ARG
Chi-restraints excluded: chain A residue   84 GLU
Chi-restraints excluded: chain A residue   95 SER
Chi-restraints excluded: chain A residue   98 ASP
Chi-restraints excluded: chain A residue   99 ARG
Chi-restraints excluded: chain A residue  113 ILE
Chi-restraints excluded: chain A residue  118 MET
Chi-restraints excluded: chain A residue  125 MET
Chi-restraints excluded: chain A residue  129 VAL
Chi-restraints excluded: chain A residue  135 LEU
Chi-restraints excluded: chain A residue  141 ILE
Chi-restraints excluded: chain A residue  157 LYS
Chi-restraints excluded: chain A residue  158 HIS
Chi-restraints excluded: chain A residue  162 ILE
Chi-restraints excluded: chain A residue  164 ILE
Chi-restraints excluded: chain A residue  170 ILE
Chi-restraints excluded: chain A residue  174 GLU
Chi-restraints excluded: chain A residue  175 LEU
Chi-restraints excluded: chain A residue  196 MET
Chi-restraints excluded: chain A residue  204 LYS
Chi-restraints excluded: chain A residue  207 LEU
Chi-restraints excluded: chain A residue  240 PHE
Chi-restraints excluded: chain A residue  244 HIS
Chi-restraints excluded: chain A residue  247 LYS
Chi-restraints excluded: chain A residue  270 ILE
Chi-restraints excluded: chain A residue  277 LEU
Chi-restraints excluded: chain A residue  280 THR
Chi-restraints excluded: chain A residue  283 LEU
Chi-restraints excluded: chain A residue  287 LEU
Chi-restraints excluded: chain A residue  299 TYR
Chi-restraints excluded: chain A residue  302 CYS
Chi-restraints excluded: chain A residue  308 VAL
Chi-restraints excluded: chain A residue  312 ILE
Chi-restraints excluded: chain A residue  324 VAL
Chi-restraints excluded: chain A residue  340 MET
Chi-restraints excluded: chain A residue  348 LEU
Chi-restraints excluded: chain A residue  351 LEU
Chi-restraints excluded: chain A residue  402 ILE
Chi-restraints excluded: chain A residue  422 PHE
Chi-restraints excluded: chain A residue  432 ILE
Chi-restraints excluded: chain A residue  444 TYR
Chi-restraints excluded: chain A residue  448 PHE
Chi-restraints excluded: chain A residue  454 ILE
Chi-restraints excluded: chain A residue  457 ILE
Chi-restraints excluded: chain A residue  466 ILE
Chi-restraints excluded: chain A residue  480 VAL
Chi-restraints excluded: chain A residue  491 VAL
Chi-restraints excluded: chain B residue   14 THR
Chi-restraints excluded: chain B residue   16 THR
Chi-restraints excluded: chain B residue   32 ILE
Chi-restraints excluded: chain B residue   36 ILE
Chi-restraints excluded: chain B residue   37 LEU
Chi-restraints excluded: chain B residue   62 LEU
Chi-restraints excluded: chain B residue   65 ILE
Chi-restraints excluded: chain C residue    3 CYS
Chi-restraints excluded: chain C residue   10 ASP
Chi-restraints excluded: chain C residue   20 TRP
Chi-restraints excluded: chain C residue   25 LEU
Chi-restraints excluded: chain C residue   36 LYS
Chi-restraints excluded: chain C residue   45 LEU
Chi-restraints excluded: chain C residue   48 THR
Chi-restraints excluded: chain C residue   58 LYS
Chi-restraints excluded: chain C residue   61 ILE
Chi-restraints excluded: chain C residue   64 LYS
Chi-restraints excluded: chain C residue   65 LEU
Chi-restraints excluded: chain C residue   69 THR
Chi-restraints excluded: chain C residue  107 LEU
Chi-restraints excluded: chain C residue  113 ILE
Chi-restraints excluded: chain C residue  122 LYS
Chi-restraints excluded: chain C residue  125 MET
Chi-restraints excluded: chain C residue  126 LYS
Chi-restraints excluded: chain C residue  129 VAL
Chi-restraints excluded: chain C residue  135 LEU
Chi-restraints excluded: chain C residue  141 ILE
Chi-restraints excluded: chain C residue  149 HIS
Chi-restraints excluded: chain C residue  157 LYS
Chi-restraints excluded: chain C residue  161 GLU
Chi-restraints excluded: chain C residue  162 ILE
Chi-restraints excluded: chain C residue  164 ILE
Chi-restraints excluded: chain C residue  180 THR
Chi-restraints excluded: chain C residue  181 VAL
Chi-restraints excluded: chain C residue  196 MET
Chi-restraints excluded: chain C residue  199 LEU
Chi-restraints excluded: chain C residue  204 LYS
Chi-restraints excluded: chain C residue  240 PHE
Chi-restraints excluded: chain C residue  244 HIS
Chi-restraints excluded: chain C residue  247 LYS
Chi-restraints excluded: chain C residue  270 ILE
Chi-restraints excluded: chain C residue  280 THR
Chi-restraints excluded: chain C residue  283 LEU
Chi-restraints excluded: chain C residue  287 LEU
Chi-restraints excluded: chain C residue  299 TYR
Chi-restraints excluded: chain C residue  302 CYS
Chi-restraints excluded: chain C residue  303 THR
Chi-restraints excluded: chain C residue  308 VAL
Chi-restraints excluded: chain C residue  312 ILE
Chi-restraints excluded: chain C residue  323 ARG
Chi-restraints excluded: chain C residue  324 VAL
Chi-restraints excluded: chain C residue  335 ILE
Chi-restraints excluded: chain C residue  338 GLU
Chi-restraints excluded: chain C residue  351 LEU
Chi-restraints excluded: chain C residue  365 VAL
Chi-restraints excluded: chain C residue  366 ASN
Chi-restraints excluded: chain C residue  376 SER
Chi-restraints excluded: chain C residue  380 ILE
Chi-restraints excluded: chain C residue  389 LEU
Chi-restraints excluded: chain C residue  402 ILE
Chi-restraints excluded: chain C residue  422 PHE
Chi-restraints excluded: chain C residue  432 ILE
Chi-restraints excluded: chain C residue  434 LYS
Chi-restraints excluded: chain C residue  454 ILE
Chi-restraints excluded: chain C residue  457 ILE
Chi-restraints excluded: chain C residue  466 ILE
Chi-restraints excluded: chain C residue  481 LEU
Chi-restraints excluded: chain D residue   14 THR
Chi-restraints excluded: chain D residue   26 TRP
Chi-restraints excluded: chain D residue   36 ILE
Chi-restraints excluded: chain D residue   37 LEU
Chi-restraints excluded: chain D residue   44 ILE
Chi-restraints excluded: chain D residue   52 THR
Rotamers are restrained with sigma=2.50
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 112
   random chunks:
   chunk 42 optimal weight:   20.0000
   chunk 95 optimal weight:    9.9990
   chunk 105 optimal weight:   30.0000
   chunk 55 optimal weight:   20.0000
   chunk 38 optimal weight:    3.9990
   chunk 93 optimal weight:    9.9990
   chunk 74 optimal weight:   20.0000
   chunk 63 optimal weight:    4.9990
   chunk 6 optimal weight:   30.0000
   chunk 36 optimal weight:   10.0000
   chunk 104 optimal weight:    4.9990
   overall best weight:    6.7990

-------------------------------------------------------------------------------
NQH flips
*********
Analyzing N/Q/H residues for possible flip corrections...

Flipped N/Q/H residues before XYZ refinement:
** A  27 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
A 203 ASN
** A 355 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** B   7 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** C  27 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** C 103 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** C 158 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** C 355 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** D   7 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** D  59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**

Total number of N/Q/H flips: 1

-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.3753 r_free = 0.3753 target = 0.148495 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 33)----------------|
| r_work = 0.3624 r_free = 0.3624 target = 0.138098 restraints weight = 22015.955|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 30)----------------|
| r_work = 0.3657 r_free = 0.3657 target = 0.140843 restraints weight = 10968.128|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 34)----------------|
| r_work = 0.3679 r_free = 0.3679 target = 0.142635 restraints weight = 6399.369|
|-----------------------------------------------------------------------------|
r_work (final): 0.3675
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7332
moved from start:          0.5178

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.004   0.038   8986  Z= 0.245
  Angle     :  0.795   8.673  12164  Z= 0.404
  Chirality :  0.044   0.191   1412
  Planarity :  0.005   0.037   1520
  Dihedral  : 12.005  87.278   1478
  Min Nonbonded Distance : 2.189

Molprobity Statistics.
  All-atom Clashscore : 75.08
  Ramachandran Plot:
    Outliers :  3.91 %
    Allowed  : 23.80 %
    Favored  : 72.29 %
  Rotamer:
    Outliers : 14.88 %
    Allowed  : 28.30 %
    Favored  : 56.81 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.18 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole: -5.08 (0.21), residues: 1126
  helix: -1.91 (0.26), residues: 302
  sheet: -2.19 (0.32), residues: 274
  loop : -5.05 (0.18), residues: 550

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.013   0.002   TRP A 465 
 HIS   0.010   0.002   HIS C 149 
 PHE   0.020   0.002   PHE C  43 
 TYR   0.015   0.002   TYR A 137 
 ARG   0.003   0.000   ARG B  31 

*********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************

-------------------------------------------------------------------------------
Update Rama plot phi/psi targets (oldfield only)
************************************************

  2252 Ramachandran restraints generated.
    1126 Oldfield, 0 Emsley, 1126 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  2252 Ramachandran restraints generated.
    1126 Oldfield, 0 Emsley, 1126 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Residue ILE    4 is missing expected H atoms. Skipping.
Residue ILE    6 is missing expected H atoms. Skipping.
Residue SER    7 is missing expected H atoms. Skipping.
Residue VAL   12 is missing expected H atoms. Skipping.
Residue VAL   15 is missing expected H atoms. Skipping.
Residue SER   16 is missing expected H atoms. Skipping.
Residue SER   19 is missing expected H atoms. Skipping.
Residue VAL   21 is missing expected H atoms. Skipping.
Residue ILE   23 is missing expected H atoms. Skipping.
Residue VAL   24 is missing expected H atoms. Skipping.
Residue LEU   25 is missing expected H atoms. Skipping.
Residue SER   29 is missing expected H atoms. Skipping.
Residue VAL   31 is missing expected H atoms. Skipping.
Residue THR   32 is missing expected H atoms. Skipping.
Residue THR   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   35 is missing expected H atoms. Skipping.
Residue LYS   36 is missing expected H atoms. Skipping.
Residue LYS   38 is missing expected H atoms. Skipping.
Residue THR   40 is missing expected H atoms. Skipping.
Residue LEU   41 is missing expected H atoms. Skipping.
Residue LEU   45 is missing expected H atoms. Skipping.
Residue ILE   46 is missing expected H atoms. Skipping.
Residue THR   48 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue LYS   51 is missing expected H atoms. Skipping.
Residue ALA   54 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue LEU   56 is missing expected H atoms. Skipping.
Residue LYS   58 is missing expected H atoms. Skipping.
Residue TYR   59 is missing expected H atoms. Skipping.
Residue ILE   61 is missing expected H atoms. Skipping.
Residue ALA   63 is missing expected H atoms. Skipping.
Residue LYS   64 is missing expected H atoms. Skipping.
Residue LEU   65 is missing expected H atoms. Skipping.
Residue THR   66 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue THR   69 is missing expected H atoms. Skipping.
Residue THR   70 is missing expected H atoms. Skipping.
Residue SER   72 is missing expected H atoms. Skipping.
Residue THR   76 is missing expected H atoms. Skipping.
Residue SER   81 is missing expected H atoms. Skipping.
Residue LEU   82 is missing expected H atoms. Skipping.
Residue LYS   88 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue LYS   93 is missing expected H atoms. Skipping.
Residue SER   95 is missing expected H atoms. Skipping.
Residue MET   96 is missing expected H atoms. Skipping.
Residue VAL   97 is missing expected H atoms. Skipping.
Residue LEU  107 is missing expected H atoms. Skipping.
Residue LYS  110 is missing expected H atoms. Skipping.
Residue ILE  113 is missing expected H atoms. Skipping.
Residue VAL  114 is missing expected H atoms. Skipping.
Residue THR  115 is missing expected H atoms. Skipping.
Residue ALA  117 is missing expected H atoms. Skipping.
Residue MET  118 is missing expected H atoms. Skipping.
Residue THR  120 is missing expected H atoms. Skipping.
Residue LYS  122 is missing expected H atoms. Skipping.
Residue LYS  123 is missing expected H atoms. Skipping.
Residue MET  125 is missing expected H atoms. Skipping.
Residue LYS  126 is missing expected H atoms. Skipping.
Residue LYS  128 is missing expected H atoms. Skipping.
Residue VAL  129 is missing expected H atoms. Skipping.
Residue VAL  130 is missing expected H atoms. Skipping.
Residue LEU  135 is missing expected H atoms. Skipping.
Residue TYR  137 is missing expected H atoms. Skipping.
Residue THR  138 is missing expected H atoms. Skipping.
Residue ILE  139 is missing expected H atoms. Skipping.
Residue VAL  140 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue THR  142 is missing expected H atoms. Skipping.
Residue SER  145 is missing expected H atoms. Skipping.
Residue ALA  150 is missing expected H atoms. Skipping.
Residue VAL  151 is missing expected H atoms. Skipping.
Residue THR  155 is missing expected H atoms. Skipping.
Residue LYS  157 is missing expected H atoms. Skipping.
Residue LYS  160 is missing expected H atoms. Skipping.
Residue ILE  162 is missing expected H atoms. Skipping.
Residue LYS  163 is missing expected H atoms. Skipping.
Residue ILE  164 is missing expected H atoms. Skipping.
Residue THR  165 is missing expected H atoms. Skipping.
Residue SER  168 is missing expected H atoms. Skipping.
Residue SER  169 is missing expected H atoms. Skipping.
Residue ILE  170 is missing expected H atoms. Skipping.
Residue THR  171 is missing expected H atoms. Skipping.
Residue ALA  173 is missing expected H atoms. Skipping.
Residue LEU  175 is missing expected H atoms. Skipping.
Residue THR  176 is missing expected H atoms. Skipping.
Residue TYR  178 is missing expected H atoms. Skipping.
Residue THR  180 is missing expected H atoms. Skipping.
Residue VAL  181 is missing expected H atoms. Skipping.
Residue THR  182 is missing expected H atoms. Skipping.
Residue MET  183 is missing expected H atoms. Skipping.
Residue SER  186 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue LEU  191 is missing expected H atoms. Skipping.
Residue MET  196 is missing expected H atoms. Skipping.
Residue VAL  197 is missing expected H atoms. Skipping.
Residue LEU  198 is missing expected H atoms. Skipping.
Residue LEU  199 is missing expected H atoms. Skipping.
Residue MET  201 is missing expected H atoms. Skipping.
Residue LYS  204 is missing expected H atoms. Skipping.
Residue ALA  205 is missing expected H atoms. Skipping.
Residue LEU  207 is missing expected H atoms. Skipping.
Residue VAL  208 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue LEU  216 is missing expected H atoms. Skipping.
Residue LEU  218 is missing expected H atoms. Skipping.
Residue LEU  221 is missing expected H atoms. Skipping.
Residue ALA  224 is missing expected H atoms. Skipping.
Residue THR  226 is missing expected H atoms. Skipping.
Residue SER  229 is missing expected H atoms. Skipping.
Residue ILE  232 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue THR  236 is missing expected H atoms. Skipping.
Residue LEU  237 is missing expected H atoms. Skipping.
Residue VAL  238 is missing expected H atoms. Skipping.
Residue THR  239 is missing expected H atoms. Skipping.
Residue LYS  241 is missing expected H atoms. Skipping.
Residue ALA  245 is missing expected H atoms. Skipping.
Residue LYS  246 is missing expected H atoms. Skipping.
Residue LYS  247 is missing expected H atoms. Skipping.
Residue VAL  250 is missing expected H atoms. Skipping.
Residue VAL  251 is missing expected H atoms. Skipping.
Residue VAL  252 is missing expected H atoms. Skipping.
Residue LEU  253 is missing expected H atoms. Skipping.
Residue SER  255 is missing expected H atoms. Skipping.
Residue ALA  259 is missing expected H atoms. Skipping.
Residue MET  260 is missing expected H atoms. Skipping.
Residue THR  262 is missing expected H atoms. Skipping.
Residue ALA  263 is missing expected H atoms. Skipping.
Residue LEU  264 is missing expected H atoms. Skipping.
Residue THR  265 is missing expected H atoms. Skipping.
Residue ALA  267 is missing expected H atoms. Skipping.
Residue THR  268 is missing expected H atoms. Skipping.
Residue ILE  270 is missing expected H atoms. Skipping.
Residue MET  272 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue SER  274 is missing expected H atoms. Skipping.
Residue LEU  277 is missing expected H atoms. Skipping.
Residue LEU  278 is missing expected H atoms. Skipping.
Residue THR  280 is missing expected H atoms. Skipping.
Residue LEU  283 is missing expected H atoms. Skipping.
Residue LYS  284 is missing expected H atoms. Skipping.
Residue LEU  287 is missing expected H atoms. Skipping.
Residue MET  289 is missing expected H atoms. Skipping.
Residue LYS  291 is missing expected H atoms. Skipping.
Residue LEU  292 is missing expected H atoms. Skipping.
Residue LEU  294 is missing expected H atoms. Skipping.
Residue LYS  295 is missing expected H atoms. Skipping.
Residue MET  297 is missing expected H atoms. Skipping.
Residue SER  298 is missing expected H atoms. Skipping.
Residue TYR  299 is missing expected H atoms. Skipping.
Residue SER  300 is missing expected H atoms. Skipping.
Residue MET  301 is missing expected H atoms. Skipping.
Residue THR  303 is missing expected H atoms. Skipping.
Residue LYS  305 is missing expected H atoms. Skipping.
Residue LYS  307 is missing expected H atoms. Skipping.
Residue VAL  308 is missing expected H atoms. Skipping.
Residue VAL  309 is missing expected H atoms. Skipping.
Residue LYS  310 is missing expected H atoms. Skipping.
Residue ILE  312 is missing expected H atoms. Skipping.
Residue ALA  313 is missing expected H atoms. Skipping.
Residue THR  315 is missing expected H atoms. Skipping.
Residue THR  319 is missing expected H atoms. Skipping.
Residue ILE  320 is missing expected H atoms. Skipping.
Residue VAL  321 is missing expected H atoms. Skipping.
Residue ILE  322 is missing expected H atoms. Skipping.
Residue VAL  324 is missing expected H atoms. Skipping.
Residue TYR  326 is missing expected H atoms. Skipping.
Residue SER  331 is missing expected H atoms. Skipping.
Residue LYS  334 is missing expected H atoms. Skipping.
Residue ILE  335 is missing expected H atoms. Skipping.
Residue ILE  339 is missing expected H atoms. Skipping.
Residue MET  340 is missing expected H atoms. Skipping.
Residue LEU  342 is missing expected H atoms. Skipping.
Residue LYS  344 is missing expected H atoms. Skipping.
Residue VAL  347 is missing expected H atoms. Skipping.
Residue LEU  348 is missing expected H atoms. Skipping.
Residue LEU  351 is missing expected H atoms. Skipping.
Residue ILE  352 is missing expected H atoms. Skipping.
Residue THR  353 is missing expected H atoms. Skipping.
Residue VAL  354 is missing expected H atoms. Skipping.
Residue ILE  357 is missing expected H atoms. Skipping.
Residue VAL  358 is missing expected H atoms. Skipping.
Residue THR  359 is missing expected H atoms. Skipping.
Residue LYS  361 is missing expected H atoms. Skipping.
Residue SER  363 is missing expected H atoms. Skipping.
Residue VAL  365 is missing expected H atoms. Skipping.
Residue ILE  367 is missing expected H atoms. Skipping.
Residue ALA  369 is missing expected H atoms. Skipping.
Residue SER  376 is missing expected H atoms. Skipping.
Residue TYR  377 is missing expected H atoms. Skipping.
Residue ILE  378 is missing expected H atoms. Skipping.
Residue ILE  379 is missing expected H atoms. Skipping.
Residue ILE  380 is missing expected H atoms. Skipping.
Residue VAL  382 is missing expected H atoms. Skipping.
Residue LEU  387 is missing expected H atoms. Skipping.
Residue LYS  388 is missing expected H atoms. Skipping.
Residue LEU  389 is missing expected H atoms. Skipping.
Residue LYS  393 is missing expected H atoms. Skipping.
Residue LYS  394 is missing expected H atoms. Skipping.
Residue SER  396 is missing expected H atoms. Skipping.
Residue SER  397 is missing expected H atoms. Skipping.
Residue ILE  398 is missing expected H atoms. Skipping.
Residue MET  401 is missing expected H atoms. Skipping.
Residue ILE  402 is missing expected H atoms. Skipping.
Residue THR  404 is missing expected H atoms. Skipping.
Residue THR  405 is missing expected H atoms. Skipping.
Residue MET  406 is missing expected H atoms. Skipping.
Residue ALA  409 is missing expected H atoms. Skipping.
Residue LYS  410 is missing expected H atoms. Skipping.
Residue MET  412 is missing expected H atoms. Skipping.
Residue ALA  413 is missing expected H atoms. Skipping.
Residue ILE  414 is missing expected H atoms. Skipping.
Residue LEU  415 is missing expected H atoms. Skipping.
Residue THR  418 is missing expected H atoms. Skipping.
Residue ALA  419 is missing expected H atoms. Skipping.
Residue SER  424 is missing expected H atoms. Skipping.
Residue LEU  425 is missing expected H atoms. Skipping.
Residue VAL  428 is missing expected H atoms. Skipping.
Residue THR  430 is missing expected H atoms. Skipping.
Residue SER  431 is missing expected H atoms. Skipping.
Residue ILE  432 is missing expected H atoms. Skipping.
Residue LYS  434 is missing expected H atoms. Skipping.
Residue ALA  435 is missing expected H atoms. Skipping.
Residue LEU  436 is missing expected H atoms. Skipping.
Residue VAL  439 is missing expected H atoms. Skipping.
Residue ALA  442 is missing expected H atoms. Skipping.
Residue ILE  443 is missing expected H atoms. Skipping.
Residue TYR  444 is missing expected H atoms. Skipping.
Residue ALA  446 is missing expected H atoms. Skipping.
Residue ALA  447 is missing expected H atoms. Skipping.
Residue SER  449 is missing expected H atoms. Skipping.
Residue VAL  451 is missing expected H atoms. Skipping.
Residue SER  452 is missing expected H atoms. Skipping.
Residue ILE  454 is missing expected H atoms. Skipping.
Residue MET  455 is missing expected H atoms. Skipping.
Residue LYS  456 is missing expected H atoms. Skipping.
Residue ILE  457 is missing expected H atoms. Skipping.
Residue LEU  458 is missing expected H atoms. Skipping.
Residue ILE  459 is missing expected H atoms. Skipping.
Residue VAL  461 is missing expected H atoms. Skipping.
Residue ILE  462 is missing expected H atoms. Skipping.
Residue ILE  463 is missing expected H atoms. Skipping.
Residue THR  464 is missing expected H atoms. Skipping.
Residue ILE  466 is missing expected H atoms. Skipping.
Residue MET  468 is missing expected H atoms. Skipping.
Residue SER  470 is missing expected H atoms. Skipping.
Residue SER  472 is missing expected H atoms. Skipping.
Residue THR  473 is missing expected H atoms. Skipping.
Residue SER  474 is missing expected H atoms. Skipping.
Residue LEU  475 is missing expected H atoms. Skipping.
Residue SER  476 is missing expected H atoms. Skipping.
Residue VAL  477 is missing expected H atoms. Skipping.
Residue SER  478 is missing expected H atoms. Skipping.
Residue LEU  479 is missing expected H atoms. Skipping.
Residue VAL  480 is missing expected H atoms. Skipping.
Residue LEU  481 is missing expected H atoms. Skipping.
Residue VAL  482 is missing expected H atoms. Skipping.
Residue VAL  484 is missing expected H atoms. Skipping.
Residue VAL  485 is missing expected H atoms. Skipping.
Residue THR  486 is missing expected H atoms. Skipping.
Residue LEU  487 is missing expected H atoms. Skipping.
Residue TYR  488 is missing expected H atoms. Skipping.
Residue LEU  489 is missing expected H atoms. Skipping.
Residue VAL  491 is missing expected H atoms. Skipping.
Residue MET  492 is missing expected H atoms. Skipping.
Residue VAL  493 is missing expected H atoms. Skipping.
Residue VAL    2 is missing expected H atoms. Skipping.
Residue ALA    3 is missing expected H atoms. Skipping.
Residue LEU    4 is missing expected H atoms. Skipping.
Residue VAL    5 is missing expected H atoms. Skipping.
Residue VAL    8 is missing expected H atoms. Skipping.
Residue MET   10 is missing expected H atoms. Skipping.
Residue LEU   12 is missing expected H atoms. Skipping.
Residue THR   14 is missing expected H atoms. Skipping.
Residue ALA   15 is missing expected H atoms. Skipping.
Residue THR   16 is missing expected H atoms. Skipping.
Residue THR   18 is missing expected H atoms. Skipping.
Residue MET   20 is missing expected H atoms. Skipping.
Residue SER   21 is missing expected H atoms. Skipping.
Residue SER   22 is missing expected H atoms. Skipping.
Residue ALA   25 is missing expected H atoms. Skipping.
Residue LYS   27 is missing expected H atoms. Skipping.
Residue ALA   29 is missing expected H atoms. Skipping.
Residue ILE   32 is missing expected H atoms. Skipping.
Residue THR   34 is missing expected H atoms. Skipping.
Residue ILE   36 is missing expected H atoms. Skipping.
Residue LEU   37 is missing expected H atoms. Skipping.
Residue THR   43 is missing expected H atoms. Skipping.
Residue ILE   44 is missing expected H atoms. Skipping.
Residue MET   45 is missing expected H atoms. Skipping.
Residue ALA   46 is missing expected H atoms. Skipping.
Residue ALA   47 is missing expected H atoms. Skipping.
Residue ILE   48 is missing expected H atoms. Skipping.
Residue LEU   49 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue TYR   51 is missing expected H atoms. Skipping.
Residue THR   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue THR   56 is missing expected H atoms. Skipping.
Residue ALA   61 is missing expected H atoms. Skipping.
Residue LEU   62 is missing expected H atoms. Skipping.
Residue ILE   63 is missing expected H atoms. Skipping.
Residue ILE   65 is missing expected H atoms. Skipping.
Residue LEU   66 is missing expected H atoms. Skipping.
Residue LEU   67 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue ALA   69 is missing expected H atoms. Skipping.
Residue VAL   70 is missing expected H atoms. Skipping.
Residue ALA   71 is missing expected H atoms. Skipping.
Residue ILE    4 is missing expected H atoms. Skipping.
Residue ILE    6 is missing expected H atoms. Skipping.
Residue SER    7 is missing expected H atoms. Skipping.
Residue VAL   12 is missing expected H atoms. Skipping.
Residue VAL   15 is missing expected H atoms. Skipping.
Residue SER   16 is missing expected H atoms. Skipping.
Residue SER   19 is missing expected H atoms. Skipping.
Residue VAL   21 is missing expected H atoms. Skipping.
Residue ILE   23 is missing expected H atoms. Skipping.
Residue VAL   24 is missing expected H atoms. Skipping.
Residue LEU   25 is missing expected H atoms. Skipping.
Residue SER   29 is missing expected H atoms. Skipping.
Residue VAL   31 is missing expected H atoms. Skipping.
Residue THR   32 is missing expected H atoms. Skipping.
Residue THR   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   35 is missing expected H atoms. Skipping.
Residue LYS   36 is missing expected H atoms. Skipping.
Residue LYS   38 is missing expected H atoms. Skipping.
Residue THR   40 is missing expected H atoms. Skipping.
Residue LEU   41 is missing expected H atoms. Skipping.
Residue LEU   45 is missing expected H atoms. Skipping.
Residue ILE   46 is missing expected H atoms. Skipping.
Residue THR   48 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue LYS   51 is missing expected H atoms. Skipping.
Residue ALA   54 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue LEU   56 is missing expected H atoms. Skipping.
Residue LYS   58 is missing expected H atoms. Skipping.
Residue TYR   59 is missing expected H atoms. Skipping.
Residue ILE   61 is missing expected H atoms. Skipping.
Residue ALA   63 is missing expected H atoms. Skipping.
Residue LYS   64 is missing expected H atoms. Skipping.
Residue LEU   65 is missing expected H atoms. Skipping.
Residue THR   66 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue THR   69 is missing expected H atoms. Skipping.
Residue THR   70 is missing expected H atoms. Skipping.
Residue SER   72 is missing expected H atoms. Skipping.
Residue THR   76 is missing expected H atoms. Skipping.
Residue SER   81 is missing expected H atoms. Skipping.
Residue LEU   82 is missing expected H atoms. Skipping.
Residue LYS   88 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue LYS   93 is missing expected H atoms. Skipping.
Residue SER   95 is missing expected H atoms. Skipping.
Residue MET   96 is missing expected H atoms. Skipping.
Residue VAL   97 is missing expected H atoms. Skipping.
Residue LEU  107 is missing expected H atoms. Skipping.
Residue LYS  110 is missing expected H atoms. Skipping.
Residue ILE  113 is missing expected H atoms. Skipping.
Residue VAL  114 is missing expected H atoms. Skipping.
Residue THR  115 is missing expected H atoms. Skipping.
Residue ALA  117 is missing expected H atoms. Skipping.
Residue MET  118 is missing expected H atoms. Skipping.
Residue THR  120 is missing expected H atoms. Skipping.
Residue LYS  122 is missing expected H atoms. Skipping.
Residue LYS  123 is missing expected H atoms. Skipping.
Residue MET  125 is missing expected H atoms. Skipping.
Residue LYS  126 is missing expected H atoms. Skipping.
Residue LYS  128 is missing expected H atoms. Skipping.
Residue VAL  129 is missing expected H atoms. Skipping.
Residue VAL  130 is missing expected H atoms. Skipping.
Residue LEU  135 is missing expected H atoms. Skipping.
Residue TYR  137 is missing expected H atoms. Skipping.
Residue THR  138 is missing expected H atoms. Skipping.
Residue ILE  139 is missing expected H atoms. Skipping.
Residue VAL  140 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue THR  142 is missing expected H atoms. Skipping.
Residue SER  145 is missing expected H atoms. Skipping.
Residue ALA  150 is missing expected H atoms. Skipping.
Residue VAL  151 is missing expected H atoms. Skipping.
Residue THR  155 is missing expected H atoms. Skipping.
Residue LYS  157 is missing expected H atoms. Skipping.
Residue LYS  160 is missing expected H atoms. Skipping.
Residue ILE  162 is missing expected H atoms. Skipping.
Residue LYS  163 is missing expected H atoms. Skipping.
Residue ILE  164 is missing expected H atoms. Skipping.
Residue THR  165 is missing expected H atoms. Skipping.
Residue SER  168 is missing expected H atoms. Skipping.
Residue SER  169 is missing expected H atoms. Skipping.
Residue ILE  170 is missing expected H atoms. Skipping.
Residue THR  171 is missing expected H atoms. Skipping.
Residue ALA  173 is missing expected H atoms. Skipping.
Residue LEU  175 is missing expected H atoms. Skipping.
Residue THR  176 is missing expected H atoms. Skipping.
Residue TYR  178 is missing expected H atoms. Skipping.
Residue THR  180 is missing expected H atoms. Skipping.
Residue VAL  181 is missing expected H atoms. Skipping.
Residue THR  182 is missing expected H atoms. Skipping.
Residue MET  183 is missing expected H atoms. Skipping.
Residue SER  186 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue LEU  191 is missing expected H atoms. Skipping.
Residue MET  196 is missing expected H atoms. Skipping.
Residue VAL  197 is missing expected H atoms. Skipping.
Residue LEU  198 is missing expected H atoms. Skipping.
Residue LEU  199 is missing expected H atoms. Skipping.
Residue MET  201 is missing expected H atoms. Skipping.
Residue LYS  204 is missing expected H atoms. Skipping.
Residue ALA  205 is missing expected H atoms. Skipping.
Residue LEU  207 is missing expected H atoms. Skipping.
Residue VAL  208 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue LEU  216 is missing expected H atoms. Skipping.
Residue LEU  218 is missing expected H atoms. Skipping.
Residue LEU  221 is missing expected H atoms. Skipping.
Residue ALA  224 is missing expected H atoms. Skipping.
Residue THR  226 is missing expected H atoms. Skipping.
Residue SER  229 is missing expected H atoms. Skipping.
Residue ILE  232 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue THR  236 is missing expected H atoms. Skipping.
Residue LEU  237 is missing expected H atoms. Skipping.
Residue VAL  238 is missing expected H atoms. Skipping.
Residue THR  239 is missing expected H atoms. Skipping.
Residue LYS  241 is missing expected H atoms. Skipping.
Residue ALA  245 is missing expected H atoms. Skipping.
Residue LYS  246 is missing expected H atoms. Skipping.
Residue LYS  247 is missing expected H atoms. Skipping.
Residue VAL  250 is missing expected H atoms. Skipping.
Residue VAL  251 is missing expected H atoms. Skipping.
Residue VAL  252 is missing expected H atoms. Skipping.
Residue LEU  253 is missing expected H atoms. Skipping.
Residue SER  255 is missing expected H atoms. Skipping.
Residue ALA  259 is missing expected H atoms. Skipping.
Residue MET  260 is missing expected H atoms. Skipping.
Residue THR  262 is missing expected H atoms. Skipping.
Residue ALA  263 is missing expected H atoms. Skipping.
Residue LEU  264 is missing expected H atoms. Skipping.
Residue THR  265 is missing expected H atoms. Skipping.
Residue ALA  267 is missing expected H atoms. Skipping.
Residue THR  268 is missing expected H atoms. Skipping.
Residue ILE  270 is missing expected H atoms. Skipping.
Residue MET  272 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue SER  274 is missing expected H atoms. Skipping.
Residue LEU  277 is missing expected H atoms. Skipping.
Residue LEU  278 is missing expected H atoms. Skipping.
Residue THR  280 is missing expected H atoms. Skipping.
Residue LEU  283 is missing expected H atoms. Skipping.
Residue LYS  284 is missing expected H atoms. Skipping.
Residue LEU  287 is missing expected H atoms. Skipping.
Residue MET  289 is missing expected H atoms. Skipping.
Residue LYS  291 is missing expected H atoms. Skipping.
Residue LEU  292 is missing expected H atoms. Skipping.
Residue LEU  294 is missing expected H atoms. Skipping.
Residue LYS  295 is missing expected H atoms. Skipping.
Residue MET  297 is missing expected H atoms. Skipping.
Residue SER  298 is missing expected H atoms. Skipping.
Residue TYR  299 is missing expected H atoms. Skipping.
Residue SER  300 is missing expected H atoms. Skipping.
Residue MET  301 is missing expected H atoms. Skipping.
Residue THR  303 is missing expected H atoms. Skipping.
Residue LYS  305 is missing expected H atoms. Skipping.
Residue LYS  307 is missing expected H atoms. Skipping.
Residue VAL  308 is missing expected H atoms. Skipping.
Residue VAL  309 is missing expected H atoms. Skipping.
Residue LYS  310 is missing expected H atoms. Skipping.
Residue ILE  312 is missing expected H atoms. Skipping.
Residue ALA  313 is missing expected H atoms. Skipping.
Residue THR  315 is missing expected H atoms. Skipping.
Residue THR  319 is missing expected H atoms. Skipping.
Residue ILE  320 is missing expected H atoms. Skipping.
Residue VAL  321 is missing expected H atoms. Skipping.
Residue ILE  322 is missing expected H atoms. Skipping.
Residue VAL  324 is missing expected H atoms. Skipping.
Residue TYR  326 is missing expected H atoms. Skipping.
Residue SER  331 is missing expected H atoms. Skipping.
Residue LYS  334 is missing expected H atoms. Skipping.
Residue ILE  335 is missing expected H atoms. Skipping.
Residue ILE  339 is missing expected H atoms. Skipping.
Residue MET  340 is missing expected H atoms. Skipping.
Residue LEU  342 is missing expected H atoms. Skipping.
Residue LYS  344 is missing expected H atoms. Skipping.
Residue VAL  347 is missing expected H atoms. Skipping.
Residue LEU  348 is missing expected H atoms. Skipping.
Residue LEU  351 is missing expected H atoms. Skipping.
Residue ILE  352 is missing expected H atoms. Skipping.
Residue THR  353 is missing expected H atoms. Skipping.
Residue VAL  354 is missing expected H atoms. Skipping.
Residue ILE  357 is missing expected H atoms. Skipping.
Residue VAL  358 is missing expected H atoms. Skipping.
Residue THR  359 is missing expected H atoms. Skipping.
Residue LYS  361 is missing expected H atoms. Skipping.
Residue SER  363 is missing expected H atoms. Skipping.
Residue VAL  365 is missing expected H atoms. Skipping.
Residue ILE  367 is missing expected H atoms. Skipping.
Residue ALA  369 is missing expected H atoms. Skipping.
Residue SER  376 is missing expected H atoms. Skipping.
Residue TYR  377 is missing expected H atoms. Skipping.
Residue ILE  378 is missing expected H atoms. Skipping.
Residue ILE  379 is missing expected H atoms. Skipping.
Residue ILE  380 is missing expected H atoms. Skipping.
Residue VAL  382 is missing expected H atoms. Skipping.
Residue LEU  387 is missing expected H atoms. Skipping.
Residue LYS  388 is missing expected H atoms. Skipping.
Residue LEU  389 is missing expected H atoms. Skipping.
Residue LYS  393 is missing expected H atoms. Skipping.
Residue LYS  394 is missing expected H atoms. Skipping.
Residue SER  396 is missing expected H atoms. Skipping.
Residue SER  397 is missing expected H atoms. Skipping.
Residue ILE  398 is missing expected H atoms. Skipping.
Residue MET  401 is missing expected H atoms. Skipping.
Residue ILE  402 is missing expected H atoms. Skipping.
Residue THR  404 is missing expected H atoms. Skipping.
Residue THR  405 is missing expected H atoms. Skipping.
Residue MET  406 is missing expected H atoms. Skipping.
Residue ALA  409 is missing expected H atoms. Skipping.
Residue LYS  410 is missing expected H atoms. Skipping.
Residue MET  412 is missing expected H atoms. Skipping.
Residue ALA  413 is missing expected H atoms. Skipping.
Residue ILE  414 is missing expected H atoms. Skipping.
Residue LEU  415 is missing expected H atoms. Skipping.
Residue THR  418 is missing expected H atoms. Skipping.
Residue ALA  419 is missing expected H atoms. Skipping.
Residue SER  424 is missing expected H atoms. Skipping.
Residue LEU  425 is missing expected H atoms. Skipping.
Residue VAL  428 is missing expected H atoms. Skipping.
Residue THR  430 is missing expected H atoms. Skipping.
Residue SER  431 is missing expected H atoms. Skipping.
Residue ILE  432 is missing expected H atoms. Skipping.
Residue LYS  434 is missing expected H atoms. Skipping.
Residue ALA  435 is missing expected H atoms. Skipping.
Residue LEU  436 is missing expected H atoms. Skipping.
Residue VAL  439 is missing expected H atoms. Skipping.
Residue ALA  442 is missing expected H atoms. Skipping.
Residue ILE  443 is missing expected H atoms. Skipping.
Residue TYR  444 is missing expected H atoms. Skipping.
Residue ALA  446 is missing expected H atoms. Skipping.
Residue ALA  447 is missing expected H atoms. Skipping.
Residue SER  449 is missing expected H atoms. Skipping.
Residue VAL  451 is missing expected H atoms. Skipping.
Residue SER  452 is missing expected H atoms. Skipping.
Residue ILE  454 is missing expected H atoms. Skipping.
Residue MET  455 is missing expected H atoms. Skipping.
Residue LYS  456 is missing expected H atoms. Skipping.
Residue ILE  457 is missing expected H atoms. Skipping.
Residue LEU  458 is missing expected H atoms. Skipping.
Residue ILE  459 is missing expected H atoms. Skipping.
Residue VAL  461 is missing expected H atoms. Skipping.
Residue ILE  462 is missing expected H atoms. Skipping.
Residue ILE  463 is missing expected H atoms. Skipping.
Residue THR  464 is missing expected H atoms. Skipping.
Residue ILE  466 is missing expected H atoms. Skipping.
Residue MET  468 is missing expected H atoms. Skipping.
Residue SER  470 is missing expected H atoms. Skipping.
Residue SER  472 is missing expected H atoms. Skipping.
Residue THR  473 is missing expected H atoms. Skipping.
Residue SER  474 is missing expected H atoms. Skipping.
Residue LEU  475 is missing expected H atoms. Skipping.
Residue SER  476 is missing expected H atoms. Skipping.
Residue VAL  477 is missing expected H atoms. Skipping.
Residue SER  478 is missing expected H atoms. Skipping.
Residue LEU  479 is missing expected H atoms. Skipping.
Residue VAL  480 is missing expected H atoms. Skipping.
Residue LEU  481 is missing expected H atoms. Skipping.
Residue VAL  482 is missing expected H atoms. Skipping.
Residue VAL  484 is missing expected H atoms. Skipping.
Residue VAL  485 is missing expected H atoms. Skipping.
Residue THR  486 is missing expected H atoms. Skipping.
Residue LEU  487 is missing expected H atoms. Skipping.
Residue TYR  488 is missing expected H atoms. Skipping.
Residue LEU  489 is missing expected H atoms. Skipping.
Residue VAL  491 is missing expected H atoms. Skipping.
Residue MET  492 is missing expected H atoms. Skipping.
Residue VAL  493 is missing expected H atoms. Skipping.
Residue VAL    2 is missing expected H atoms. Skipping.
Residue ALA    3 is missing expected H atoms. Skipping.
Residue LEU    4 is missing expected H atoms. Skipping.
Residue VAL    5 is missing expected H atoms. Skipping.
Residue VAL    8 is missing expected H atoms. Skipping.
Residue MET   10 is missing expected H atoms. Skipping.
Residue LEU   12 is missing expected H atoms. Skipping.
Residue THR   14 is missing expected H atoms. Skipping.
Residue ALA   15 is missing expected H atoms. Skipping.
Residue THR   16 is missing expected H atoms. Skipping.
Residue THR   18 is missing expected H atoms. Skipping.
Residue MET   20 is missing expected H atoms. Skipping.
Residue SER   21 is missing expected H atoms. Skipping.
Residue SER   22 is missing expected H atoms. Skipping.
Residue ALA   25 is missing expected H atoms. Skipping.
Residue LYS   27 is missing expected H atoms. Skipping.
Residue ALA   29 is missing expected H atoms. Skipping.
Residue ILE   32 is missing expected H atoms. Skipping.
Residue THR   34 is missing expected H atoms. Skipping.
Residue ILE   36 is missing expected H atoms. Skipping.
Residue LEU   37 is missing expected H atoms. Skipping.
Residue THR   43 is missing expected H atoms. Skipping.
Residue ILE   44 is missing expected H atoms. Skipping.
Residue MET   45 is missing expected H atoms. Skipping.
Residue ALA   46 is missing expected H atoms. Skipping.
Residue ALA   47 is missing expected H atoms. Skipping.
Residue ILE   48 is missing expected H atoms. Skipping.
Residue LEU   49 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue TYR   51 is missing expected H atoms. Skipping.
Residue THR   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue THR   56 is missing expected H atoms. Skipping.
Residue ALA   61 is missing expected H atoms. Skipping.
Residue LEU   62 is missing expected H atoms. Skipping.
Residue ILE   63 is missing expected H atoms. Skipping.
Residue ILE   65 is missing expected H atoms. Skipping.
Residue LEU   66 is missing expected H atoms. Skipping.
Residue LEU   67 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue ALA   69 is missing expected H atoms. Skipping.
Residue VAL   70 is missing expected H atoms. Skipping.
Residue ALA   71 is missing expected H atoms. Skipping.
Evaluate side-chains
  392 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 142
    poor density    : 250
  time to evaluate  : 1.077 
Fit side-chains
   revert: symmetry clash
REVERT: A   73 ARG cc_start: 0.6702 (OUTLIER) cc_final: 0.5936 (tpp80)
REVERT: A   99 ARG cc_start: 0.7181 (OUTLIER) cc_final: 0.6935 (ttp-170)
REVERT: A  135 LEU cc_start: 0.8551 (OUTLIER) cc_final: 0.8129 (tm)
REVERT: A  157 LYS cc_start: 0.7881 (OUTLIER) cc_final: 0.7401 (ptmt)
REVERT: A  247 LYS cc_start: 0.7758 (OUTLIER) cc_final: 0.7060 (mmtt)
REVERT: A  277 LEU cc_start: 0.8677 (OUTLIER) cc_final: 0.8118 (pt)
REVERT: A  422 PHE cc_start: 0.7273 (OUTLIER) cc_final: 0.5465 (t80)
REVERT: B   27 LYS cc_start: 0.7069 (ttpp) cc_final: 0.6610 (tppt)
REVERT: B   31 ARG cc_start: 0.7757 (ppt-90) cc_final: 0.7228 (ttp80)
REVERT: C   64 LYS cc_start: 0.6446 (OUTLIER) cc_final: 0.5839 (ptmt)
REVERT: C  128 LYS cc_start: 0.7796 (OUTLIER) cc_final: 0.7509 (mmtp)
REVERT: C  157 LYS cc_start: 0.7706 (OUTLIER) cc_final: 0.7347 (ptmt)
REVERT: C  199 LEU cc_start: 0.8190 (OUTLIER) cc_final: 0.7698 (tp)
REVERT: C  204 LYS cc_start: 0.7915 (OUTLIER) cc_final: 0.7538 (ptpp)
REVERT: C  247 LYS cc_start: 0.7944 (OUTLIER) cc_final: 0.7350 (mmmt)
REVERT: C  269 GLU cc_start: 0.8476 (tt0) cc_final: 0.8121 (pm20)
REVERT: C  323 ARG cc_start: 0.7423 (OUTLIER) cc_final: 0.7088 (tpp-160)
REVERT: C  402 ILE cc_start: 0.7933 (OUTLIER) cc_final: 0.7355 (mm)
REVERT: C  434 LYS cc_start: 0.7164 (OUTLIER) cc_final: 0.6893 (ttpp)
REVERT: C  443 ILE cc_start: 0.7987 (tp) cc_final: 0.7701 (tt)
REVERT: C  488 TYR cc_start: 0.6961 (t80) cc_final: 0.6177 (t80)
REVERT: C  492 MET cc_start: 0.7524 (tpp) cc_final: 0.7135 (tpp)
REVERT: D   26 TRP cc_start: 0.6610 (OUTLIER) cc_final: 0.6177 (m100)
  outliers start: 142
  outliers final: 112
  residues processed: 339
  average time/residue: 0.2266
  time to fit residues: 106.1245
Evaluate side-chains
  370 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 129
    poor density    : 241
  time to evaluate  : 1.037 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue    1 MET
Chi-restraints excluded: chain A residue    3 CYS
Chi-restraints excluded: chain A residue   10 ASP
Chi-restraints excluded: chain A residue   20 TRP
Chi-restraints excluded: chain A residue   22 ASP
Chi-restraints excluded: chain A residue   23 ILE
Chi-restraints excluded: chain A residue   25 LEU
Chi-restraints excluded: chain A residue   45 LEU
Chi-restraints excluded: chain A residue   58 LYS
Chi-restraints excluded: chain A residue   61 ILE
Chi-restraints excluded: chain A residue   65 LEU
Chi-restraints excluded: chain A residue   69 THR
Chi-restraints excluded: chain A residue   73 ARG
Chi-restraints excluded: chain A residue   84 GLU
Chi-restraints excluded: chain A residue   95 SER
Chi-restraints excluded: chain A residue   99 ARG
Chi-restraints excluded: chain A residue  107 LEU
Chi-restraints excluded: chain A residue  113 ILE
Chi-restraints excluded: chain A residue  118 MET
Chi-restraints excluded: chain A residue  125 MET
Chi-restraints excluded: chain A residue  129 VAL
Chi-restraints excluded: chain A residue  135 LEU
Chi-restraints excluded: chain A residue  141 ILE
Chi-restraints excluded: chain A residue  157 LYS
Chi-restraints excluded: chain A residue  158 HIS
Chi-restraints excluded: chain A residue  162 ILE
Chi-restraints excluded: chain A residue  164 ILE
Chi-restraints excluded: chain A residue  170 ILE
Chi-restraints excluded: chain A residue  175 LEU
Chi-restraints excluded: chain A residue  196 MET
Chi-restraints excluded: chain A residue  204 LYS
Chi-restraints excluded: chain A residue  207 LEU
Chi-restraints excluded: chain A residue  240 PHE
Chi-restraints excluded: chain A residue  244 HIS
Chi-restraints excluded: chain A residue  247 LYS
Chi-restraints excluded: chain A residue  270 ILE
Chi-restraints excluded: chain A residue  277 LEU
Chi-restraints excluded: chain A residue  280 THR
Chi-restraints excluded: chain A residue  283 LEU
Chi-restraints excluded: chain A residue  299 TYR
Chi-restraints excluded: chain A residue  302 CYS
Chi-restraints excluded: chain A residue  308 VAL
Chi-restraints excluded: chain A residue  312 ILE
Chi-restraints excluded: chain A residue  348 LEU
Chi-restraints excluded: chain A residue  351 LEU
Chi-restraints excluded: chain A residue  402 ILE
Chi-restraints excluded: chain A residue  422 PHE
Chi-restraints excluded: chain A residue  432 ILE
Chi-restraints excluded: chain A residue  448 PHE
Chi-restraints excluded: chain A residue  454 ILE
Chi-restraints excluded: chain A residue  457 ILE
Chi-restraints excluded: chain A residue  466 ILE
Chi-restraints excluded: chain A residue  480 VAL
Chi-restraints excluded: chain A residue  491 VAL
Chi-restraints excluded: chain B residue   14 THR
Chi-restraints excluded: chain B residue   16 THR
Chi-restraints excluded: chain B residue   32 ILE
Chi-restraints excluded: chain B residue   36 ILE
Chi-restraints excluded: chain B residue   37 LEU
Chi-restraints excluded: chain B residue   44 ILE
Chi-restraints excluded: chain B residue   65 ILE
Chi-restraints excluded: chain B residue   67 LEU
Chi-restraints excluded: chain C residue    3 CYS
Chi-restraints excluded: chain C residue   10 ASP
Chi-restraints excluded: chain C residue   20 TRP
Chi-restraints excluded: chain C residue   25 LEU
Chi-restraints excluded: chain C residue   38 LYS
Chi-restraints excluded: chain C residue   45 LEU
Chi-restraints excluded: chain C residue   48 THR
Chi-restraints excluded: chain C residue   58 LYS
Chi-restraints excluded: chain C residue   61 ILE
Chi-restraints excluded: chain C residue   64 LYS
Chi-restraints excluded: chain C residue   65 LEU
Chi-restraints excluded: chain C residue   69 THR
Chi-restraints excluded: chain C residue   84 GLU
Chi-restraints excluded: chain C residue   95 SER
Chi-restraints excluded: chain C residue  107 LEU
Chi-restraints excluded: chain C residue  113 ILE
Chi-restraints excluded: chain C residue  122 LYS
Chi-restraints excluded: chain C residue  126 LYS
Chi-restraints excluded: chain C residue  128 LYS
Chi-restraints excluded: chain C residue  129 VAL
Chi-restraints excluded: chain C residue  135 LEU
Chi-restraints excluded: chain C residue  141 ILE
Chi-restraints excluded: chain C residue  157 LYS
Chi-restraints excluded: chain C residue  158 HIS
Chi-restraints excluded: chain C residue  162 ILE
Chi-restraints excluded: chain C residue  164 ILE
Chi-restraints excluded: chain C residue  170 ILE
Chi-restraints excluded: chain C residue  180 THR
Chi-restraints excluded: chain C residue  196 MET
Chi-restraints excluded: chain C residue  199 LEU
Chi-restraints excluded: chain C residue  204 LYS
Chi-restraints excluded: chain C residue  240 PHE
Chi-restraints excluded: chain C residue  244 HIS
Chi-restraints excluded: chain C residue  247 LYS
Chi-restraints excluded: chain C residue  249 ASP
Chi-restraints excluded: chain C residue  278 LEU
Chi-restraints excluded: chain C residue  280 THR
Chi-restraints excluded: chain C residue  283 LEU
Chi-restraints excluded: chain C residue  287 LEU
Chi-restraints excluded: chain C residue  294 LEU
Chi-restraints excluded: chain C residue  299 TYR
Chi-restraints excluded: chain C residue  302 CYS
Chi-restraints excluded: chain C residue  303 THR
Chi-restraints excluded: chain C residue  308 VAL
Chi-restraints excluded: chain C residue  312 ILE
Chi-restraints excluded: chain C residue  323 ARG
Chi-restraints excluded: chain C residue  324 VAL
Chi-restraints excluded: chain C residue  335 ILE
Chi-restraints excluded: chain C residue  338 GLU
Chi-restraints excluded: chain C residue  351 LEU
Chi-restraints excluded: chain C residue  366 ASN
Chi-restraints excluded: chain C residue  380 ILE
Chi-restraints excluded: chain C residue  389 LEU
Chi-restraints excluded: chain C residue  402 ILE
Chi-restraints excluded: chain C residue  422 PHE
Chi-restraints excluded: chain C residue  432 ILE
Chi-restraints excluded: chain C residue  434 LYS
Chi-restraints excluded: chain C residue  454 ILE
Chi-restraints excluded: chain C residue  457 ILE
Chi-restraints excluded: chain C residue  466 ILE
Chi-restraints excluded: chain C residue  481 LEU
Chi-restraints excluded: chain D residue   14 THR
Chi-restraints excluded: chain D residue   26 TRP
Chi-restraints excluded: chain D residue   36 ILE
Chi-restraints excluded: chain D residue   37 LEU
Chi-restraints excluded: chain D residue   52 THR
Chi-restraints excluded: chain D residue   63 ILE
Rotamers are restrained with sigma=2.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 112
   random chunks:
   chunk 57 optimal weight:    0.0470
   chunk 34 optimal weight:    9.9990
   chunk 74 optimal weight:   20.0000
   chunk 21 optimal weight:    8.9990
   chunk 59 optimal weight:    8.9990
   chunk 45 optimal weight:    7.9990
   chunk 105 optimal weight:    6.9990
   chunk 40 optimal weight:   20.0000
   chunk 80 optimal weight:    4.9990
   chunk 95 optimal weight:   30.0000
   chunk 28 optimal weight:   30.0000
   overall best weight:    5.8086

-------------------------------------------------------------------------------
NQH flips
*********
Analyzing N/Q/H residues for possible flip corrections...

Flipped N/Q/H residues before XYZ refinement:
** A  27 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
A 203 ASN
** A 355 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** B   7 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** B  59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
** C  27 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** C 103 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
C 149 HIS
** C 158 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** C 355 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** D   7 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** D  59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**

Total number of N/Q/H flips: 2

-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.3755 r_free = 0.3755 target = 0.147581 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 33)----------------|
| r_work = 0.3628 r_free = 0.3628 target = 0.137250 restraints weight = 21716.623|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 32)----------------|
| r_work = 0.3660 r_free = 0.3660 target = 0.139902 restraints weight = 11000.757|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 41)----------------|
| r_work = 0.3681 r_free = 0.3681 target = 0.141712 restraints weight = 6563.680|
|-----------------------------------------------------------------------------|
r_work (final): 0.3693
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7309
moved from start:          0.5374

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.003   0.042   8986  Z= 0.222
  Angle     :  0.765   9.263  12164  Z= 0.388
  Chirality :  0.044   0.187   1412
  Planarity :  0.005   0.041   1520
  Dihedral  : 11.643  86.165   1473
  Min Nonbonded Distance : 2.168

Molprobity Statistics.
  All-atom Clashscore : 73.34
  Ramachandran Plot:
    Outliers :  4.09 %
    Allowed  : 21.58 %
    Favored  : 74.33 %
  Rotamer:
    Outliers : 14.15 %
    Allowed  : 29.77 %
    Favored  : 56.08 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.18 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole: -4.83 (0.22), residues: 1126
  helix: -1.76 (0.26), residues: 302
  sheet: -1.90 (0.33), residues: 252
  loop : -4.87 (0.19), residues: 572

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.032   0.002   TRP A 391 
 HIS   0.005   0.001   HIS A  27 
 PHE   0.020   0.002   PHE C  43 
 TYR   0.014   0.002   TYR A 137 
 ARG   0.003   0.000   ARG B  31 

*********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************

-------------------------------------------------------------------------------
Update Rama plot phi/psi targets (oldfield only)
************************************************

  2252 Ramachandran restraints generated.
    1126 Oldfield, 0 Emsley, 1126 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  2252 Ramachandran restraints generated.
    1126 Oldfield, 0 Emsley, 1126 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Residue ILE    4 is missing expected H atoms. Skipping.
Residue ILE    6 is missing expected H atoms. Skipping.
Residue SER    7 is missing expected H atoms. Skipping.
Residue VAL   12 is missing expected H atoms. Skipping.
Residue VAL   15 is missing expected H atoms. Skipping.
Residue SER   16 is missing expected H atoms. Skipping.
Residue SER   19 is missing expected H atoms. Skipping.
Residue VAL   21 is missing expected H atoms. Skipping.
Residue ILE   23 is missing expected H atoms. Skipping.
Residue VAL   24 is missing expected H atoms. Skipping.
Residue LEU   25 is missing expected H atoms. Skipping.
Residue SER   29 is missing expected H atoms. Skipping.
Residue VAL   31 is missing expected H atoms. Skipping.
Residue THR   32 is missing expected H atoms. Skipping.
Residue THR   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   35 is missing expected H atoms. Skipping.
Residue LYS   36 is missing expected H atoms. Skipping.
Residue LYS   38 is missing expected H atoms. Skipping.
Residue THR   40 is missing expected H atoms. Skipping.
Residue LEU   41 is missing expected H atoms. Skipping.
Residue LEU   45 is missing expected H atoms. Skipping.
Residue ILE   46 is missing expected H atoms. Skipping.
Residue THR   48 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue LYS   51 is missing expected H atoms. Skipping.
Residue ALA   54 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue LEU   56 is missing expected H atoms. Skipping.
Residue LYS   58 is missing expected H atoms. Skipping.
Residue TYR   59 is missing expected H atoms. Skipping.
Residue ILE   61 is missing expected H atoms. Skipping.
Residue ALA   63 is missing expected H atoms. Skipping.
Residue LYS   64 is missing expected H atoms. Skipping.
Residue LEU   65 is missing expected H atoms. Skipping.
Residue THR   66 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue THR   69 is missing expected H atoms. Skipping.
Residue THR   70 is missing expected H atoms. Skipping.
Residue SER   72 is missing expected H atoms. Skipping.
Residue THR   76 is missing expected H atoms. Skipping.
Residue SER   81 is missing expected H atoms. Skipping.
Residue LEU   82 is missing expected H atoms. Skipping.
Residue LYS   88 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue LYS   93 is missing expected H atoms. Skipping.
Residue SER   95 is missing expected H atoms. Skipping.
Residue MET   96 is missing expected H atoms. Skipping.
Residue VAL   97 is missing expected H atoms. Skipping.
Residue LEU  107 is missing expected H atoms. Skipping.
Residue LYS  110 is missing expected H atoms. Skipping.
Residue ILE  113 is missing expected H atoms. Skipping.
Residue VAL  114 is missing expected H atoms. Skipping.
Residue THR  115 is missing expected H atoms. Skipping.
Residue ALA  117 is missing expected H atoms. Skipping.
Residue MET  118 is missing expected H atoms. Skipping.
Residue THR  120 is missing expected H atoms. Skipping.
Residue LYS  122 is missing expected H atoms. Skipping.
Residue LYS  123 is missing expected H atoms. Skipping.
Residue MET  125 is missing expected H atoms. Skipping.
Residue LYS  126 is missing expected H atoms. Skipping.
Residue LYS  128 is missing expected H atoms. Skipping.
Residue VAL  129 is missing expected H atoms. Skipping.
Residue VAL  130 is missing expected H atoms. Skipping.
Residue LEU  135 is missing expected H atoms. Skipping.
Residue TYR  137 is missing expected H atoms. Skipping.
Residue THR  138 is missing expected H atoms. Skipping.
Residue ILE  139 is missing expected H atoms. Skipping.
Residue VAL  140 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue THR  142 is missing expected H atoms. Skipping.
Residue SER  145 is missing expected H atoms. Skipping.
Residue ALA  150 is missing expected H atoms. Skipping.
Residue VAL  151 is missing expected H atoms. Skipping.
Residue THR  155 is missing expected H atoms. Skipping.
Residue LYS  157 is missing expected H atoms. Skipping.
Residue LYS  160 is missing expected H atoms. Skipping.
Residue ILE  162 is missing expected H atoms. Skipping.
Residue LYS  163 is missing expected H atoms. Skipping.
Residue ILE  164 is missing expected H atoms. Skipping.
Residue THR  165 is missing expected H atoms. Skipping.
Residue SER  168 is missing expected H atoms. Skipping.
Residue SER  169 is missing expected H atoms. Skipping.
Residue ILE  170 is missing expected H atoms. Skipping.
Residue THR  171 is missing expected H atoms. Skipping.
Residue ALA  173 is missing expected H atoms. Skipping.
Residue LEU  175 is missing expected H atoms. Skipping.
Residue THR  176 is missing expected H atoms. Skipping.
Residue TYR  178 is missing expected H atoms. Skipping.
Residue THR  180 is missing expected H atoms. Skipping.
Residue VAL  181 is missing expected H atoms. Skipping.
Residue THR  182 is missing expected H atoms. Skipping.
Residue MET  183 is missing expected H atoms. Skipping.
Residue SER  186 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue LEU  191 is missing expected H atoms. Skipping.
Residue MET  196 is missing expected H atoms. Skipping.
Residue VAL  197 is missing expected H atoms. Skipping.
Residue LEU  198 is missing expected H atoms. Skipping.
Residue LEU  199 is missing expected H atoms. Skipping.
Residue MET  201 is missing expected H atoms. Skipping.
Residue LYS  204 is missing expected H atoms. Skipping.
Residue ALA  205 is missing expected H atoms. Skipping.
Residue LEU  207 is missing expected H atoms. Skipping.
Residue VAL  208 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue LEU  216 is missing expected H atoms. Skipping.
Residue LEU  218 is missing expected H atoms. Skipping.
Residue LEU  221 is missing expected H atoms. Skipping.
Residue ALA  224 is missing expected H atoms. Skipping.
Residue THR  226 is missing expected H atoms. Skipping.
Residue SER  229 is missing expected H atoms. Skipping.
Residue ILE  232 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue THR  236 is missing expected H atoms. Skipping.
Residue LEU  237 is missing expected H atoms. Skipping.
Residue VAL  238 is missing expected H atoms. Skipping.
Residue THR  239 is missing expected H atoms. Skipping.
Residue LYS  241 is missing expected H atoms. Skipping.
Residue ALA  245 is missing expected H atoms. Skipping.
Residue LYS  246 is missing expected H atoms. Skipping.
Residue LYS  247 is missing expected H atoms. Skipping.
Residue VAL  250 is missing expected H atoms. Skipping.
Residue VAL  251 is missing expected H atoms. Skipping.
Residue VAL  252 is missing expected H atoms. Skipping.
Residue LEU  253 is missing expected H atoms. Skipping.
Residue SER  255 is missing expected H atoms. Skipping.
Residue ALA  259 is missing expected H atoms. Skipping.
Residue MET  260 is missing expected H atoms. Skipping.
Residue THR  262 is missing expected H atoms. Skipping.
Residue ALA  263 is missing expected H atoms. Skipping.
Residue LEU  264 is missing expected H atoms. Skipping.
Residue THR  265 is missing expected H atoms. Skipping.
Residue ALA  267 is missing expected H atoms. Skipping.
Residue THR  268 is missing expected H atoms. Skipping.
Residue ILE  270 is missing expected H atoms. Skipping.
Residue MET  272 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue SER  274 is missing expected H atoms. Skipping.
Residue LEU  277 is missing expected H atoms. Skipping.
Residue LEU  278 is missing expected H atoms. Skipping.
Residue THR  280 is missing expected H atoms. Skipping.
Residue LEU  283 is missing expected H atoms. Skipping.
Residue LYS  284 is missing expected H atoms. Skipping.
Residue LEU  287 is missing expected H atoms. Skipping.
Residue MET  289 is missing expected H atoms. Skipping.
Residue LYS  291 is missing expected H atoms. Skipping.
Residue LEU  292 is missing expected H atoms. Skipping.
Residue LEU  294 is missing expected H atoms. Skipping.
Residue LYS  295 is missing expected H atoms. Skipping.
Residue MET  297 is missing expected H atoms. Skipping.
Residue SER  298 is missing expected H atoms. Skipping.
Residue TYR  299 is missing expected H atoms. Skipping.
Residue SER  300 is missing expected H atoms. Skipping.
Residue MET  301 is missing expected H atoms. Skipping.
Residue THR  303 is missing expected H atoms. Skipping.
Residue LYS  305 is missing expected H atoms. Skipping.
Residue LYS  307 is missing expected H atoms. Skipping.
Residue VAL  308 is missing expected H atoms. Skipping.
Residue VAL  309 is missing expected H atoms. Skipping.
Residue LYS  310 is missing expected H atoms. Skipping.
Residue ILE  312 is missing expected H atoms. Skipping.
Residue ALA  313 is missing expected H atoms. Skipping.
Residue THR  315 is missing expected H atoms. Skipping.
Residue THR  319 is missing expected H atoms. Skipping.
Residue ILE  320 is missing expected H atoms. Skipping.
Residue VAL  321 is missing expected H atoms. Skipping.
Residue ILE  322 is missing expected H atoms. Skipping.
Residue VAL  324 is missing expected H atoms. Skipping.
Residue TYR  326 is missing expected H atoms. Skipping.
Residue SER  331 is missing expected H atoms. Skipping.
Residue LYS  334 is missing expected H atoms. Skipping.
Residue ILE  335 is missing expected H atoms. Skipping.
Residue ILE  339 is missing expected H atoms. Skipping.
Residue MET  340 is missing expected H atoms. Skipping.
Residue LEU  342 is missing expected H atoms. Skipping.
Residue LYS  344 is missing expected H atoms. Skipping.
Residue VAL  347 is missing expected H atoms. Skipping.
Residue LEU  348 is missing expected H atoms. Skipping.
Residue LEU  351 is missing expected H atoms. Skipping.
Residue ILE  352 is missing expected H atoms. Skipping.
Residue THR  353 is missing expected H atoms. Skipping.
Residue VAL  354 is missing expected H atoms. Skipping.
Residue ILE  357 is missing expected H atoms. Skipping.
Residue VAL  358 is missing expected H atoms. Skipping.
Residue THR  359 is missing expected H atoms. Skipping.
Residue LYS  361 is missing expected H atoms. Skipping.
Residue SER  363 is missing expected H atoms. Skipping.
Residue VAL  365 is missing expected H atoms. Skipping.
Residue ILE  367 is missing expected H atoms. Skipping.
Residue ALA  369 is missing expected H atoms. Skipping.
Residue SER  376 is missing expected H atoms. Skipping.
Residue TYR  377 is missing expected H atoms. Skipping.
Residue ILE  378 is missing expected H atoms. Skipping.
Residue ILE  379 is missing expected H atoms. Skipping.
Residue ILE  380 is missing expected H atoms. Skipping.
Residue VAL  382 is missing expected H atoms. Skipping.
Residue LEU  387 is missing expected H atoms. Skipping.
Residue LYS  388 is missing expected H atoms. Skipping.
Residue LEU  389 is missing expected H atoms. Skipping.
Residue LYS  393 is missing expected H atoms. Skipping.
Residue LYS  394 is missing expected H atoms. Skipping.
Residue SER  396 is missing expected H atoms. Skipping.
Residue SER  397 is missing expected H atoms. Skipping.
Residue ILE  398 is missing expected H atoms. Skipping.
Residue MET  401 is missing expected H atoms. Skipping.
Residue ILE  402 is missing expected H atoms. Skipping.
Residue THR  404 is missing expected H atoms. Skipping.
Residue THR  405 is missing expected H atoms. Skipping.
Residue MET  406 is missing expected H atoms. Skipping.
Residue ALA  409 is missing expected H atoms. Skipping.
Residue LYS  410 is missing expected H atoms. Skipping.
Residue MET  412 is missing expected H atoms. Skipping.
Residue ALA  413 is missing expected H atoms. Skipping.
Residue ILE  414 is missing expected H atoms. Skipping.
Residue LEU  415 is missing expected H atoms. Skipping.
Residue THR  418 is missing expected H atoms. Skipping.
Residue ALA  419 is missing expected H atoms. Skipping.
Residue SER  424 is missing expected H atoms. Skipping.
Residue LEU  425 is missing expected H atoms. Skipping.
Residue VAL  428 is missing expected H atoms. Skipping.
Residue THR  430 is missing expected H atoms. Skipping.
Residue SER  431 is missing expected H atoms. Skipping.
Residue ILE  432 is missing expected H atoms. Skipping.
Residue LYS  434 is missing expected H atoms. Skipping.
Residue ALA  435 is missing expected H atoms. Skipping.
Residue LEU  436 is missing expected H atoms. Skipping.
Residue VAL  439 is missing expected H atoms. Skipping.
Residue ALA  442 is missing expected H atoms. Skipping.
Residue ILE  443 is missing expected H atoms. Skipping.
Residue TYR  444 is missing expected H atoms. Skipping.
Residue ALA  446 is missing expected H atoms. Skipping.
Residue ALA  447 is missing expected H atoms. Skipping.
Residue SER  449 is missing expected H atoms. Skipping.
Residue VAL  451 is missing expected H atoms. Skipping.
Residue SER  452 is missing expected H atoms. Skipping.
Residue ILE  454 is missing expected H atoms. Skipping.
Residue MET  455 is missing expected H atoms. Skipping.
Residue LYS  456 is missing expected H atoms. Skipping.
Residue ILE  457 is missing expected H atoms. Skipping.
Residue LEU  458 is missing expected H atoms. Skipping.
Residue ILE  459 is missing expected H atoms. Skipping.
Residue VAL  461 is missing expected H atoms. Skipping.
Residue ILE  462 is missing expected H atoms. Skipping.
Residue ILE  463 is missing expected H atoms. Skipping.
Residue THR  464 is missing expected H atoms. Skipping.
Residue ILE  466 is missing expected H atoms. Skipping.
Residue MET  468 is missing expected H atoms. Skipping.
Residue SER  470 is missing expected H atoms. Skipping.
Residue SER  472 is missing expected H atoms. Skipping.
Residue THR  473 is missing expected H atoms. Skipping.
Residue SER  474 is missing expected H atoms. Skipping.
Residue LEU  475 is missing expected H atoms. Skipping.
Residue SER  476 is missing expected H atoms. Skipping.
Residue VAL  477 is missing expected H atoms. Skipping.
Residue SER  478 is missing expected H atoms. Skipping.
Residue LEU  479 is missing expected H atoms. Skipping.
Residue VAL  480 is missing expected H atoms. Skipping.
Residue LEU  481 is missing expected H atoms. Skipping.
Residue VAL  482 is missing expected H atoms. Skipping.
Residue VAL  484 is missing expected H atoms. Skipping.
Residue VAL  485 is missing expected H atoms. Skipping.
Residue THR  486 is missing expected H atoms. Skipping.
Residue LEU  487 is missing expected H atoms. Skipping.
Residue TYR  488 is missing expected H atoms. Skipping.
Residue LEU  489 is missing expected H atoms. Skipping.
Residue VAL  491 is missing expected H atoms. Skipping.
Residue MET  492 is missing expected H atoms. Skipping.
Residue VAL  493 is missing expected H atoms. Skipping.
Residue VAL    2 is missing expected H atoms. Skipping.
Residue ALA    3 is missing expected H atoms. Skipping.
Residue LEU    4 is missing expected H atoms. Skipping.
Residue VAL    5 is missing expected H atoms. Skipping.
Residue VAL    8 is missing expected H atoms. Skipping.
Residue MET   10 is missing expected H atoms. Skipping.
Residue LEU   12 is missing expected H atoms. Skipping.
Residue THR   14 is missing expected H atoms. Skipping.
Residue ALA   15 is missing expected H atoms. Skipping.
Residue THR   16 is missing expected H atoms. Skipping.
Residue THR   18 is missing expected H atoms. Skipping.
Residue MET   20 is missing expected H atoms. Skipping.
Residue SER   21 is missing expected H atoms. Skipping.
Residue SER   22 is missing expected H atoms. Skipping.
Residue ALA   25 is missing expected H atoms. Skipping.
Residue LYS   27 is missing expected H atoms. Skipping.
Residue ALA   29 is missing expected H atoms. Skipping.
Residue ILE   32 is missing expected H atoms. Skipping.
Residue THR   34 is missing expected H atoms. Skipping.
Residue ILE   36 is missing expected H atoms. Skipping.
Residue LEU   37 is missing expected H atoms. Skipping.
Residue THR   43 is missing expected H atoms. Skipping.
Residue ILE   44 is missing expected H atoms. Skipping.
Residue MET   45 is missing expected H atoms. Skipping.
Residue ALA   46 is missing expected H atoms. Skipping.
Residue ALA   47 is missing expected H atoms. Skipping.
Residue ILE   48 is missing expected H atoms. Skipping.
Residue LEU   49 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue TYR   51 is missing expected H atoms. Skipping.
Residue THR   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue THR   56 is missing expected H atoms. Skipping.
Residue ALA   61 is missing expected H atoms. Skipping.
Residue LEU   62 is missing expected H atoms. Skipping.
Residue ILE   63 is missing expected H atoms. Skipping.
Residue ILE   65 is missing expected H atoms. Skipping.
Residue LEU   66 is missing expected H atoms. Skipping.
Residue LEU   67 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue ALA   69 is missing expected H atoms. Skipping.
Residue VAL   70 is missing expected H atoms. Skipping.
Residue ALA   71 is missing expected H atoms. Skipping.
Residue ILE    4 is missing expected H atoms. Skipping.
Residue ILE    6 is missing expected H atoms. Skipping.
Residue SER    7 is missing expected H atoms. Skipping.
Residue VAL   12 is missing expected H atoms. Skipping.
Residue VAL   15 is missing expected H atoms. Skipping.
Residue SER   16 is missing expected H atoms. Skipping.
Residue SER   19 is missing expected H atoms. Skipping.
Residue VAL   21 is missing expected H atoms. Skipping.
Residue ILE   23 is missing expected H atoms. Skipping.
Residue VAL   24 is missing expected H atoms. Skipping.
Residue LEU   25 is missing expected H atoms. Skipping.
Residue SER   29 is missing expected H atoms. Skipping.
Residue VAL   31 is missing expected H atoms. Skipping.
Residue THR   32 is missing expected H atoms. Skipping.
Residue THR   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   35 is missing expected H atoms. Skipping.
Residue LYS   36 is missing expected H atoms. Skipping.
Residue LYS   38 is missing expected H atoms. Skipping.
Residue THR   40 is missing expected H atoms. Skipping.
Residue LEU   41 is missing expected H atoms. Skipping.
Residue LEU   45 is missing expected H atoms. Skipping.
Residue ILE   46 is missing expected H atoms. Skipping.
Residue THR   48 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue LYS   51 is missing expected H atoms. Skipping.
Residue ALA   54 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue LEU   56 is missing expected H atoms. Skipping.
Residue LYS   58 is missing expected H atoms. Skipping.
Residue TYR   59 is missing expected H atoms. Skipping.
Residue ILE   61 is missing expected H atoms. Skipping.
Residue ALA   63 is missing expected H atoms. Skipping.
Residue LYS   64 is missing expected H atoms. Skipping.
Residue LEU   65 is missing expected H atoms. Skipping.
Residue THR   66 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue THR   69 is missing expected H atoms. Skipping.
Residue THR   70 is missing expected H atoms. Skipping.
Residue SER   72 is missing expected H atoms. Skipping.
Residue THR   76 is missing expected H atoms. Skipping.
Residue SER   81 is missing expected H atoms. Skipping.
Residue LEU   82 is missing expected H atoms. Skipping.
Residue LYS   88 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue LYS   93 is missing expected H atoms. Skipping.
Residue SER   95 is missing expected H atoms. Skipping.
Residue MET   96 is missing expected H atoms. Skipping.
Residue VAL   97 is missing expected H atoms. Skipping.
Residue LEU  107 is missing expected H atoms. Skipping.
Residue LYS  110 is missing expected H atoms. Skipping.
Residue ILE  113 is missing expected H atoms. Skipping.
Residue VAL  114 is missing expected H atoms. Skipping.
Residue THR  115 is missing expected H atoms. Skipping.
Residue ALA  117 is missing expected H atoms. Skipping.
Residue MET  118 is missing expected H atoms. Skipping.
Residue THR  120 is missing expected H atoms. Skipping.
Residue LYS  122 is missing expected H atoms. Skipping.
Residue LYS  123 is missing expected H atoms. Skipping.
Residue MET  125 is missing expected H atoms. Skipping.
Residue LYS  126 is missing expected H atoms. Skipping.
Residue LYS  128 is missing expected H atoms. Skipping.
Residue VAL  129 is missing expected H atoms. Skipping.
Residue VAL  130 is missing expected H atoms. Skipping.
Residue LEU  135 is missing expected H atoms. Skipping.
Residue TYR  137 is missing expected H atoms. Skipping.
Residue THR  138 is missing expected H atoms. Skipping.
Residue ILE  139 is missing expected H atoms. Skipping.
Residue VAL  140 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue THR  142 is missing expected H atoms. Skipping.
Residue SER  145 is missing expected H atoms. Skipping.
Residue ALA  150 is missing expected H atoms. Skipping.
Residue VAL  151 is missing expected H atoms. Skipping.
Residue THR  155 is missing expected H atoms. Skipping.
Residue LYS  157 is missing expected H atoms. Skipping.
Residue LYS  160 is missing expected H atoms. Skipping.
Residue ILE  162 is missing expected H atoms. Skipping.
Residue LYS  163 is missing expected H atoms. Skipping.
Residue ILE  164 is missing expected H atoms. Skipping.
Residue THR  165 is missing expected H atoms. Skipping.
Residue SER  168 is missing expected H atoms. Skipping.
Residue SER  169 is missing expected H atoms. Skipping.
Residue ILE  170 is missing expected H atoms. Skipping.
Residue THR  171 is missing expected H atoms. Skipping.
Residue ALA  173 is missing expected H atoms. Skipping.
Residue LEU  175 is missing expected H atoms. Skipping.
Residue THR  176 is missing expected H atoms. Skipping.
Residue TYR  178 is missing expected H atoms. Skipping.
Residue THR  180 is missing expected H atoms. Skipping.
Residue VAL  181 is missing expected H atoms. Skipping.
Residue THR  182 is missing expected H atoms. Skipping.
Residue MET  183 is missing expected H atoms. Skipping.
Residue SER  186 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue LEU  191 is missing expected H atoms. Skipping.
Residue MET  196 is missing expected H atoms. Skipping.
Residue VAL  197 is missing expected H atoms. Skipping.
Residue LEU  198 is missing expected H atoms. Skipping.
Residue LEU  199 is missing expected H atoms. Skipping.
Residue MET  201 is missing expected H atoms. Skipping.
Residue LYS  204 is missing expected H atoms. Skipping.
Residue ALA  205 is missing expected H atoms. Skipping.
Residue LEU  207 is missing expected H atoms. Skipping.
Residue VAL  208 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue LEU  216 is missing expected H atoms. Skipping.
Residue LEU  218 is missing expected H atoms. Skipping.
Residue LEU  221 is missing expected H atoms. Skipping.
Residue ALA  224 is missing expected H atoms. Skipping.
Residue THR  226 is missing expected H atoms. Skipping.
Residue SER  229 is missing expected H atoms. Skipping.
Residue ILE  232 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue THR  236 is missing expected H atoms. Skipping.
Residue LEU  237 is missing expected H atoms. Skipping.
Residue VAL  238 is missing expected H atoms. Skipping.
Residue THR  239 is missing expected H atoms. Skipping.
Residue LYS  241 is missing expected H atoms. Skipping.
Residue ALA  245 is missing expected H atoms. Skipping.
Residue LYS  246 is missing expected H atoms. Skipping.
Residue LYS  247 is missing expected H atoms. Skipping.
Residue VAL  250 is missing expected H atoms. Skipping.
Residue VAL  251 is missing expected H atoms. Skipping.
Residue VAL  252 is missing expected H atoms. Skipping.
Residue LEU  253 is missing expected H atoms. Skipping.
Residue SER  255 is missing expected H atoms. Skipping.
Residue ALA  259 is missing expected H atoms. Skipping.
Residue MET  260 is missing expected H atoms. Skipping.
Residue THR  262 is missing expected H atoms. Skipping.
Residue ALA  263 is missing expected H atoms. Skipping.
Residue LEU  264 is missing expected H atoms. Skipping.
Residue THR  265 is missing expected H atoms. Skipping.
Residue ALA  267 is missing expected H atoms. Skipping.
Residue THR  268 is missing expected H atoms. Skipping.
Residue ILE  270 is missing expected H atoms. Skipping.
Residue MET  272 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue SER  274 is missing expected H atoms. Skipping.
Residue LEU  277 is missing expected H atoms. Skipping.
Residue LEU  278 is missing expected H atoms. Skipping.
Residue THR  280 is missing expected H atoms. Skipping.
Residue LEU  283 is missing expected H atoms. Skipping.
Residue LYS  284 is missing expected H atoms. Skipping.
Residue LEU  287 is missing expected H atoms. Skipping.
Residue MET  289 is missing expected H atoms. Skipping.
Residue LYS  291 is missing expected H atoms. Skipping.
Residue LEU  292 is missing expected H atoms. Skipping.
Residue LEU  294 is missing expected H atoms. Skipping.
Residue LYS  295 is missing expected H atoms. Skipping.
Residue MET  297 is missing expected H atoms. Skipping.
Residue SER  298 is missing expected H atoms. Skipping.
Residue TYR  299 is missing expected H atoms. Skipping.
Residue SER  300 is missing expected H atoms. Skipping.
Residue MET  301 is missing expected H atoms. Skipping.
Residue THR  303 is missing expected H atoms. Skipping.
Residue LYS  305 is missing expected H atoms. Skipping.
Residue LYS  307 is missing expected H atoms. Skipping.
Residue VAL  308 is missing expected H atoms. Skipping.
Residue VAL  309 is missing expected H atoms. Skipping.
Residue LYS  310 is missing expected H atoms. Skipping.
Residue ILE  312 is missing expected H atoms. Skipping.
Residue ALA  313 is missing expected H atoms. Skipping.
Residue THR  315 is missing expected H atoms. Skipping.
Residue THR  319 is missing expected H atoms. Skipping.
Residue ILE  320 is missing expected H atoms. Skipping.
Residue VAL  321 is missing expected H atoms. Skipping.
Residue ILE  322 is missing expected H atoms. Skipping.
Residue VAL  324 is missing expected H atoms. Skipping.
Residue TYR  326 is missing expected H atoms. Skipping.
Residue SER  331 is missing expected H atoms. Skipping.
Residue LYS  334 is missing expected H atoms. Skipping.
Residue ILE  335 is missing expected H atoms. Skipping.
Residue ILE  339 is missing expected H atoms. Skipping.
Residue MET  340 is missing expected H atoms. Skipping.
Residue LEU  342 is missing expected H atoms. Skipping.
Residue LYS  344 is missing expected H atoms. Skipping.
Residue VAL  347 is missing expected H atoms. Skipping.
Residue LEU  348 is missing expected H atoms. Skipping.
Residue LEU  351 is missing expected H atoms. Skipping.
Residue ILE  352 is missing expected H atoms. Skipping.
Residue THR  353 is missing expected H atoms. Skipping.
Residue VAL  354 is missing expected H atoms. Skipping.
Residue ILE  357 is missing expected H atoms. Skipping.
Residue VAL  358 is missing expected H atoms. Skipping.
Residue THR  359 is missing expected H atoms. Skipping.
Residue LYS  361 is missing expected H atoms. Skipping.
Residue SER  363 is missing expected H atoms. Skipping.
Residue VAL  365 is missing expected H atoms. Skipping.
Residue ILE  367 is missing expected H atoms. Skipping.
Residue ALA  369 is missing expected H atoms. Skipping.
Residue SER  376 is missing expected H atoms. Skipping.
Residue TYR  377 is missing expected H atoms. Skipping.
Residue ILE  378 is missing expected H atoms. Skipping.
Residue ILE  379 is missing expected H atoms. Skipping.
Residue ILE  380 is missing expected H atoms. Skipping.
Residue VAL  382 is missing expected H atoms. Skipping.
Residue LEU  387 is missing expected H atoms. Skipping.
Residue LYS  388 is missing expected H atoms. Skipping.
Residue LEU  389 is missing expected H atoms. Skipping.
Residue LYS  393 is missing expected H atoms. Skipping.
Residue LYS  394 is missing expected H atoms. Skipping.
Residue SER  396 is missing expected H atoms. Skipping.
Residue SER  397 is missing expected H atoms. Skipping.
Residue ILE  398 is missing expected H atoms. Skipping.
Residue MET  401 is missing expected H atoms. Skipping.
Residue ILE  402 is missing expected H atoms. Skipping.
Residue THR  404 is missing expected H atoms. Skipping.
Residue THR  405 is missing expected H atoms. Skipping.
Residue MET  406 is missing expected H atoms. Skipping.
Residue ALA  409 is missing expected H atoms. Skipping.
Residue LYS  410 is missing expected H atoms. Skipping.
Residue MET  412 is missing expected H atoms. Skipping.
Residue ALA  413 is missing expected H atoms. Skipping.
Residue ILE  414 is missing expected H atoms. Skipping.
Residue LEU  415 is missing expected H atoms. Skipping.
Residue THR  418 is missing expected H atoms. Skipping.
Residue ALA  419 is missing expected H atoms. Skipping.
Residue SER  424 is missing expected H atoms. Skipping.
Residue LEU  425 is missing expected H atoms. Skipping.
Residue VAL  428 is missing expected H atoms. Skipping.
Residue THR  430 is missing expected H atoms. Skipping.
Residue SER  431 is missing expected H atoms. Skipping.
Residue ILE  432 is missing expected H atoms. Skipping.
Residue LYS  434 is missing expected H atoms. Skipping.
Residue ALA  435 is missing expected H atoms. Skipping.
Residue LEU  436 is missing expected H atoms. Skipping.
Residue VAL  439 is missing expected H atoms. Skipping.
Residue ALA  442 is missing expected H atoms. Skipping.
Residue ILE  443 is missing expected H atoms. Skipping.
Residue TYR  444 is missing expected H atoms. Skipping.
Residue ALA  446 is missing expected H atoms. Skipping.
Residue ALA  447 is missing expected H atoms. Skipping.
Residue SER  449 is missing expected H atoms. Skipping.
Residue VAL  451 is missing expected H atoms. Skipping.
Residue SER  452 is missing expected H atoms. Skipping.
Residue ILE  454 is missing expected H atoms. Skipping.
Residue MET  455 is missing expected H atoms. Skipping.
Residue LYS  456 is missing expected H atoms. Skipping.
Residue ILE  457 is missing expected H atoms. Skipping.
Residue LEU  458 is missing expected H atoms. Skipping.
Residue ILE  459 is missing expected H atoms. Skipping.
Residue VAL  461 is missing expected H atoms. Skipping.
Residue ILE  462 is missing expected H atoms. Skipping.
Residue ILE  463 is missing expected H atoms. Skipping.
Residue THR  464 is missing expected H atoms. Skipping.
Residue ILE  466 is missing expected H atoms. Skipping.
Residue MET  468 is missing expected H atoms. Skipping.
Residue SER  470 is missing expected H atoms. Skipping.
Residue SER  472 is missing expected H atoms. Skipping.
Residue THR  473 is missing expected H atoms. Skipping.
Residue SER  474 is missing expected H atoms. Skipping.
Residue LEU  475 is missing expected H atoms. Skipping.
Residue SER  476 is missing expected H atoms. Skipping.
Residue VAL  477 is missing expected H atoms. Skipping.
Residue SER  478 is missing expected H atoms. Skipping.
Residue LEU  479 is missing expected H atoms. Skipping.
Residue VAL  480 is missing expected H atoms. Skipping.
Residue LEU  481 is missing expected H atoms. Skipping.
Residue VAL  482 is missing expected H atoms. Skipping.
Residue VAL  484 is missing expected H atoms. Skipping.
Residue VAL  485 is missing expected H atoms. Skipping.
Residue THR  486 is missing expected H atoms. Skipping.
Residue LEU  487 is missing expected H atoms. Skipping.
Residue TYR  488 is missing expected H atoms. Skipping.
Residue LEU  489 is missing expected H atoms. Skipping.
Residue VAL  491 is missing expected H atoms. Skipping.
Residue MET  492 is missing expected H atoms. Skipping.
Residue VAL  493 is missing expected H atoms. Skipping.
Residue VAL    2 is missing expected H atoms. Skipping.
Residue ALA    3 is missing expected H atoms. Skipping.
Residue LEU    4 is missing expected H atoms. Skipping.
Residue VAL    5 is missing expected H atoms. Skipping.
Residue VAL    8 is missing expected H atoms. Skipping.
Residue MET   10 is missing expected H atoms. Skipping.
Residue LEU   12 is missing expected H atoms. Skipping.
Residue THR   14 is missing expected H atoms. Skipping.
Residue ALA   15 is missing expected H atoms. Skipping.
Residue THR   16 is missing expected H atoms. Skipping.
Residue THR   18 is missing expected H atoms. Skipping.
Residue MET   20 is missing expected H atoms. Skipping.
Residue SER   21 is missing expected H atoms. Skipping.
Residue SER   22 is missing expected H atoms. Skipping.
Residue ALA   25 is missing expected H atoms. Skipping.
Residue LYS   27 is missing expected H atoms. Skipping.
Residue ALA   29 is missing expected H atoms. Skipping.
Residue ILE   32 is missing expected H atoms. Skipping.
Residue THR   34 is missing expected H atoms. Skipping.
Residue ILE   36 is missing expected H atoms. Skipping.
Residue LEU   37 is missing expected H atoms. Skipping.
Residue THR   43 is missing expected H atoms. Skipping.
Residue ILE   44 is missing expected H atoms. Skipping.
Residue MET   45 is missing expected H atoms. Skipping.
Residue ALA   46 is missing expected H atoms. Skipping.
Residue ALA   47 is missing expected H atoms. Skipping.
Residue ILE   48 is missing expected H atoms. Skipping.
Residue LEU   49 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue TYR   51 is missing expected H atoms. Skipping.
Residue THR   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue THR   56 is missing expected H atoms. Skipping.
Residue ALA   61 is missing expected H atoms. Skipping.
Residue LEU   62 is missing expected H atoms. Skipping.
Residue ILE   63 is missing expected H atoms. Skipping.
Residue ILE   65 is missing expected H atoms. Skipping.
Residue LEU   66 is missing expected H atoms. Skipping.
Residue LEU   67 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue ALA   69 is missing expected H atoms. Skipping.
Residue VAL   70 is missing expected H atoms. Skipping.
Residue ALA   71 is missing expected H atoms. Skipping.
Evaluate side-chains
  381 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 135
    poor density    : 246
  time to evaluate  : 1.027 
Fit side-chains
   revert: symmetry clash
REVERT: A   58 LYS cc_start: 0.7969 (OUTLIER) cc_final: 0.7424 (ttmp)
REVERT: A   73 ARG cc_start: 0.6641 (OUTLIER) cc_final: 0.6030 (tpp-160)
REVERT: A   81 SER cc_start: 0.7838 (t) cc_final: 0.7609 (p)
REVERT: A   99 ARG cc_start: 0.7186 (mtp180) cc_final: 0.6961 (ttp-170)
REVERT: A  125 MET cc_start: 0.7212 (OUTLIER) cc_final: 0.5495 (pmt)
REVERT: A  135 LEU cc_start: 0.8513 (OUTLIER) cc_final: 0.8089 (tm)
REVERT: A  157 LYS cc_start: 0.7818 (OUTLIER) cc_final: 0.7390 (ptmt)
REVERT: A  247 LYS cc_start: 0.7745 (OUTLIER) cc_final: 0.7071 (mmtt)
REVERT: A  260 MET cc_start: 0.6872 (tpt) cc_final: 0.6584 (tpt)
REVERT: A  277 LEU cc_start: 0.8639 (OUTLIER) cc_final: 0.8135 (pt)
REVERT: A  299 TYR cc_start: 0.6491 (OUTLIER) cc_final: 0.6140 (m-80)
REVERT: A  422 PHE cc_start: 0.7207 (OUTLIER) cc_final: 0.5855 (t80)
REVERT: B   27 LYS cc_start: 0.7059 (ttpp) cc_final: 0.6624 (tppt)
REVERT: B   31 ARG cc_start: 0.7716 (ppt-90) cc_final: 0.7201 (ttp80)
REVERT: C   64 LYS cc_start: 0.6476 (OUTLIER) cc_final: 0.5895 (ptmt)
REVERT: C  128 LYS cc_start: 0.7761 (OUTLIER) cc_final: 0.7501 (mmtp)
REVERT: C  149 HIS cc_start: 0.5522 (OUTLIER) cc_final: 0.4910 (m-70)
REVERT: C  157 LYS cc_start: 0.7781 (OUTLIER) cc_final: 0.7563 (ptmt)
REVERT: C  199 LEU cc_start: 0.8057 (OUTLIER) cc_final: 0.7849 (tp)
REVERT: C  204 LYS cc_start: 0.7919 (OUTLIER) cc_final: 0.7504 (ptpp)
REVERT: C  247 LYS cc_start: 0.7898 (OUTLIER) cc_final: 0.7385 (mmmt)
REVERT: C  269 GLU cc_start: 0.8436 (tt0) cc_final: 0.8060 (pm20)
REVERT: C  323 ARG cc_start: 0.7410 (OUTLIER) cc_final: 0.7201 (tpp-160)
REVERT: C  402 ILE cc_start: 0.7919 (OUTLIER) cc_final: 0.7374 (mm)
REVERT: C  434 LYS cc_start: 0.7150 (OUTLIER) cc_final: 0.6863 (ttpp)
REVERT: C  443 ILE cc_start: 0.7846 (tp) cc_final: 0.7544 (tt)
REVERT: C  488 TYR cc_start: 0.6998 (t80) cc_final: 0.6173 (t80)
REVERT: C  492 MET cc_start: 0.7452 (tpp) cc_final: 0.7063 (tpp)
REVERT: D   26 TRP cc_start: 0.6545 (OUTLIER) cc_final: 0.6106 (m100)
  outliers start: 135
  outliers final: 108
  residues processed: 332
  average time/residue: 0.2393
  time to fit residues: 109.7557
Evaluate side-chains
  369 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 128
    poor density    : 241
  time to evaluate  : 1.100 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue    1 MET
Chi-restraints excluded: chain A residue    3 CYS
Chi-restraints excluded: chain A residue   10 ASP
Chi-restraints excluded: chain A residue   20 TRP
Chi-restraints excluded: chain A residue   22 ASP
Chi-restraints excluded: chain A residue   23 ILE
Chi-restraints excluded: chain A residue   25 LEU
Chi-restraints excluded: chain A residue   45 LEU
Chi-restraints excluded: chain A residue   58 LYS
Chi-restraints excluded: chain A residue   61 ILE
Chi-restraints excluded: chain A residue   65 LEU
Chi-restraints excluded: chain A residue   69 THR
Chi-restraints excluded: chain A residue   73 ARG
Chi-restraints excluded: chain A residue   77 GLN
Chi-restraints excluded: chain A residue   84 GLU
Chi-restraints excluded: chain A residue   95 SER
Chi-restraints excluded: chain A residue  107 LEU
Chi-restraints excluded: chain A residue  113 ILE
Chi-restraints excluded: chain A residue  118 MET
Chi-restraints excluded: chain A residue  125 MET
Chi-restraints excluded: chain A residue  129 VAL
Chi-restraints excluded: chain A residue  135 LEU
Chi-restraints excluded: chain A residue  141 ILE
Chi-restraints excluded: chain A residue  157 LYS
Chi-restraints excluded: chain A residue  158 HIS
Chi-restraints excluded: chain A residue  162 ILE
Chi-restraints excluded: chain A residue  164 ILE
Chi-restraints excluded: chain A residue  170 ILE
Chi-restraints excluded: chain A residue  175 LEU
Chi-restraints excluded: chain A residue  196 MET
Chi-restraints excluded: chain A residue  204 LYS
Chi-restraints excluded: chain A residue  207 LEU
Chi-restraints excluded: chain A residue  240 PHE
Chi-restraints excluded: chain A residue  244 HIS
Chi-restraints excluded: chain A residue  247 LYS
Chi-restraints excluded: chain A residue  277 LEU
Chi-restraints excluded: chain A residue  280 THR
Chi-restraints excluded: chain A residue  283 LEU
Chi-restraints excluded: chain A residue  287 LEU
Chi-restraints excluded: chain A residue  299 TYR
Chi-restraints excluded: chain A residue  302 CYS
Chi-restraints excluded: chain A residue  308 VAL
Chi-restraints excluded: chain A residue  312 ILE
Chi-restraints excluded: chain A residue  340 MET
Chi-restraints excluded: chain A residue  348 LEU
Chi-restraints excluded: chain A residue  351 LEU
Chi-restraints excluded: chain A residue  402 ILE
Chi-restraints excluded: chain A residue  422 PHE
Chi-restraints excluded: chain A residue  432 ILE
Chi-restraints excluded: chain A residue  448 PHE
Chi-restraints excluded: chain A residue  454 ILE
Chi-restraints excluded: chain A residue  457 ILE
Chi-restraints excluded: chain A residue  466 ILE
Chi-restraints excluded: chain A residue  480 VAL
Chi-restraints excluded: chain A residue  491 VAL
Chi-restraints excluded: chain B residue   16 THR
Chi-restraints excluded: chain B residue   32 ILE
Chi-restraints excluded: chain B residue   36 ILE
Chi-restraints excluded: chain B residue   37 LEU
Chi-restraints excluded: chain B residue   65 ILE
Chi-restraints excluded: chain B residue   67 LEU
Chi-restraints excluded: chain C residue    3 CYS
Chi-restraints excluded: chain C residue   10 ASP
Chi-restraints excluded: chain C residue   20 TRP
Chi-restraints excluded: chain C residue   25 LEU
Chi-restraints excluded: chain C residue   38 LYS
Chi-restraints excluded: chain C residue   45 LEU
Chi-restraints excluded: chain C residue   48 THR
Chi-restraints excluded: chain C residue   58 LYS
Chi-restraints excluded: chain C residue   61 ILE
Chi-restraints excluded: chain C residue   64 LYS
Chi-restraints excluded: chain C residue   65 LEU
Chi-restraints excluded: chain C residue   69 THR
Chi-restraints excluded: chain C residue   84 GLU
Chi-restraints excluded: chain C residue   95 SER
Chi-restraints excluded: chain C residue  107 LEU
Chi-restraints excluded: chain C residue  122 LYS
Chi-restraints excluded: chain C residue  126 LYS
Chi-restraints excluded: chain C residue  128 LYS
Chi-restraints excluded: chain C residue  129 VAL
Chi-restraints excluded: chain C residue  135 LEU
Chi-restraints excluded: chain C residue  141 ILE
Chi-restraints excluded: chain C residue  149 HIS
Chi-restraints excluded: chain C residue  157 LYS
Chi-restraints excluded: chain C residue  158 HIS
Chi-restraints excluded: chain C residue  162 ILE
Chi-restraints excluded: chain C residue  164 ILE
Chi-restraints excluded: chain C residue  181 VAL
Chi-restraints excluded: chain C residue  196 MET
Chi-restraints excluded: chain C residue  199 LEU
Chi-restraints excluded: chain C residue  204 LYS
Chi-restraints excluded: chain C residue  207 LEU
Chi-restraints excluded: chain C residue  240 PHE
Chi-restraints excluded: chain C residue  244 HIS
Chi-restraints excluded: chain C residue  247 LYS
Chi-restraints excluded: chain C residue  249 ASP
Chi-restraints excluded: chain C residue  278 LEU
Chi-restraints excluded: chain C residue  280 THR
Chi-restraints excluded: chain C residue  283 LEU
Chi-restraints excluded: chain C residue  287 LEU
Chi-restraints excluded: chain C residue  294 LEU
Chi-restraints excluded: chain C residue  299 TYR
Chi-restraints excluded: chain C residue  302 CYS
Chi-restraints excluded: chain C residue  303 THR
Chi-restraints excluded: chain C residue  308 VAL
Chi-restraints excluded: chain C residue  312 ILE
Chi-restraints excluded: chain C residue  323 ARG
Chi-restraints excluded: chain C residue  324 VAL
Chi-restraints excluded: chain C residue  335 ILE
Chi-restraints excluded: chain C residue  351 LEU
Chi-restraints excluded: chain C residue  365 VAL
Chi-restraints excluded: chain C residue  366 ASN
Chi-restraints excluded: chain C residue  380 ILE
Chi-restraints excluded: chain C residue  389 LEU
Chi-restraints excluded: chain C residue  402 ILE
Chi-restraints excluded: chain C residue  422 PHE
Chi-restraints excluded: chain C residue  432 ILE
Chi-restraints excluded: chain C residue  434 LYS
Chi-restraints excluded: chain C residue  454 ILE
Chi-restraints excluded: chain C residue  457 ILE
Chi-restraints excluded: chain C residue  466 ILE
Chi-restraints excluded: chain C residue  481 LEU
Chi-restraints excluded: chain D residue   26 TRP
Chi-restraints excluded: chain D residue   36 ILE
Chi-restraints excluded: chain D residue   37 LEU
Chi-restraints excluded: chain D residue   44 ILE
Chi-restraints excluded: chain D residue   52 THR
Chi-restraints excluded: chain D residue   63 ILE
Rotamers are restrained with sigma=1.50
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 112
   random chunks:
   chunk 59 optimal weight:   30.0000
   chunk 51 optimal weight:    0.9990
   chunk 65 optimal weight:   20.0000
   chunk 55 optimal weight:    4.9990
   chunk 15 optimal weight:   40.0000
   chunk 79 optimal weight:   20.0000
   chunk 72 optimal weight:   10.0000
   chunk 21 optimal weight:    0.4980
   chunk 3 optimal weight:   30.0000
   chunk 96 optimal weight:    5.9990
   chunk 38 optimal weight:   10.0000
   overall best weight:    4.4990

-------------------------------------------------------------------------------
NQH flips
*********
Analyzing N/Q/H residues for possible flip corrections...

Flipped N/Q/H residues before XYZ refinement:
** A  27 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
A 203 ASN
** A 355 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** B   7 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** B  59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
** C  27 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
C 149 HIS
** C 158 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** C 355 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** D   7 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** D  59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**

Total number of N/Q/H flips: 2

-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.3778 r_free = 0.3778 target = 0.149362 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 38)----------------|
| r_work = 0.3651 r_free = 0.3651 target = 0.138885 restraints weight = 21767.874|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 33)----------------|
| r_work = 0.3684 r_free = 0.3684 target = 0.141603 restraints weight = 11075.602|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 36)----------------|
| r_work = 0.3705 r_free = 0.3705 target = 0.143410 restraints weight = 6560.572|
|-----------------------------------------------------------------------------|
r_work (final): 0.3715
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7283
moved from start:          0.5510

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.003   0.042   8986  Z= 0.199
  Angle     :  0.741   9.597  12164  Z= 0.375
  Chirality :  0.043   0.183   1412
  Planarity :  0.005   0.037   1520
  Dihedral  : 11.327  85.424   1469
  Min Nonbonded Distance : 2.154

Molprobity Statistics.
  All-atom Clashscore : 72.53
  Ramachandran Plot:
    Outliers :  4.00 %
    Allowed  : 20.78 %
    Favored  : 75.22 %
  Rotamer:
    Outliers : 13.73 %
    Allowed  : 31.03 %
    Favored  : 55.24 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.18 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole: -4.64 (0.22), residues: 1126
  helix: -1.57 (0.26), residues: 306
  sheet: -1.83 (0.34), residues: 252
  loop : -4.76 (0.20), residues: 568

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.025   0.002   TRP A 391 
 HIS   0.005   0.001   HIS C 149 
 PHE   0.020   0.002   PHE C  43 
 TYR   0.013   0.002   TYR A 137 
 ARG   0.003   0.000   ARG B  31 

*********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************

-------------------------------------------------------------------------------
Update Rama plot phi/psi targets (oldfield only)
************************************************

  2252 Ramachandran restraints generated.
    1126 Oldfield, 0 Emsley, 1126 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  2252 Ramachandran restraints generated.
    1126 Oldfield, 0 Emsley, 1126 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Residue ILE    4 is missing expected H atoms. Skipping.
Residue ILE    6 is missing expected H atoms. Skipping.
Residue SER    7 is missing expected H atoms. Skipping.
Residue VAL   12 is missing expected H atoms. Skipping.
Residue VAL   15 is missing expected H atoms. Skipping.
Residue SER   16 is missing expected H atoms. Skipping.
Residue SER   19 is missing expected H atoms. Skipping.
Residue VAL   21 is missing expected H atoms. Skipping.
Residue ILE   23 is missing expected H atoms. Skipping.
Residue VAL   24 is missing expected H atoms. Skipping.
Residue LEU   25 is missing expected H atoms. Skipping.
Residue SER   29 is missing expected H atoms. Skipping.
Residue VAL   31 is missing expected H atoms. Skipping.
Residue THR   32 is missing expected H atoms. Skipping.
Residue THR   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   35 is missing expected H atoms. Skipping.
Residue LYS   36 is missing expected H atoms. Skipping.
Residue LYS   38 is missing expected H atoms. Skipping.
Residue THR   40 is missing expected H atoms. Skipping.
Residue LEU   41 is missing expected H atoms. Skipping.
Residue LEU   45 is missing expected H atoms. Skipping.
Residue ILE   46 is missing expected H atoms. Skipping.
Residue THR   48 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue LYS   51 is missing expected H atoms. Skipping.
Residue ALA   54 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue LEU   56 is missing expected H atoms. Skipping.
Residue LYS   58 is missing expected H atoms. Skipping.
Residue TYR   59 is missing expected H atoms. Skipping.
Residue ILE   61 is missing expected H atoms. Skipping.
Residue ALA   63 is missing expected H atoms. Skipping.
Residue LYS   64 is missing expected H atoms. Skipping.
Residue LEU   65 is missing expected H atoms. Skipping.
Residue THR   66 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue THR   69 is missing expected H atoms. Skipping.
Residue THR   70 is missing expected H atoms. Skipping.
Residue SER   72 is missing expected H atoms. Skipping.
Residue THR   76 is missing expected H atoms. Skipping.
Residue SER   81 is missing expected H atoms. Skipping.
Residue LEU   82 is missing expected H atoms. Skipping.
Residue LYS   88 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue LYS   93 is missing expected H atoms. Skipping.
Residue SER   95 is missing expected H atoms. Skipping.
Residue MET   96 is missing expected H atoms. Skipping.
Residue VAL   97 is missing expected H atoms. Skipping.
Residue LEU  107 is missing expected H atoms. Skipping.
Residue LYS  110 is missing expected H atoms. Skipping.
Residue ILE  113 is missing expected H atoms. Skipping.
Residue VAL  114 is missing expected H atoms. Skipping.
Residue THR  115 is missing expected H atoms. Skipping.
Residue ALA  117 is missing expected H atoms. Skipping.
Residue MET  118 is missing expected H atoms. Skipping.
Residue THR  120 is missing expected H atoms. Skipping.
Residue LYS  122 is missing expected H atoms. Skipping.
Residue LYS  123 is missing expected H atoms. Skipping.
Residue MET  125 is missing expected H atoms. Skipping.
Residue LYS  126 is missing expected H atoms. Skipping.
Residue LYS  128 is missing expected H atoms. Skipping.
Residue VAL  129 is missing expected H atoms. Skipping.
Residue VAL  130 is missing expected H atoms. Skipping.
Residue LEU  135 is missing expected H atoms. Skipping.
Residue TYR  137 is missing expected H atoms. Skipping.
Residue THR  138 is missing expected H atoms. Skipping.
Residue ILE  139 is missing expected H atoms. Skipping.
Residue VAL  140 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue THR  142 is missing expected H atoms. Skipping.
Residue SER  145 is missing expected H atoms. Skipping.
Residue ALA  150 is missing expected H atoms. Skipping.
Residue VAL  151 is missing expected H atoms. Skipping.
Residue THR  155 is missing expected H atoms. Skipping.
Residue LYS  157 is missing expected H atoms. Skipping.
Residue LYS  160 is missing expected H atoms. Skipping.
Residue ILE  162 is missing expected H atoms. Skipping.
Residue LYS  163 is missing expected H atoms. Skipping.
Residue ILE  164 is missing expected H atoms. Skipping.
Residue THR  165 is missing expected H atoms. Skipping.
Residue SER  168 is missing expected H atoms. Skipping.
Residue SER  169 is missing expected H atoms. Skipping.
Residue ILE  170 is missing expected H atoms. Skipping.
Residue THR  171 is missing expected H atoms. Skipping.
Residue ALA  173 is missing expected H atoms. Skipping.
Residue LEU  175 is missing expected H atoms. Skipping.
Residue THR  176 is missing expected H atoms. Skipping.
Residue TYR  178 is missing expected H atoms. Skipping.
Residue THR  180 is missing expected H atoms. Skipping.
Residue VAL  181 is missing expected H atoms. Skipping.
Residue THR  182 is missing expected H atoms. Skipping.
Residue MET  183 is missing expected H atoms. Skipping.
Residue SER  186 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue LEU  191 is missing expected H atoms. Skipping.
Residue MET  196 is missing expected H atoms. Skipping.
Residue VAL  197 is missing expected H atoms. Skipping.
Residue LEU  198 is missing expected H atoms. Skipping.
Residue LEU  199 is missing expected H atoms. Skipping.
Residue MET  201 is missing expected H atoms. Skipping.
Residue LYS  204 is missing expected H atoms. Skipping.
Residue ALA  205 is missing expected H atoms. Skipping.
Residue LEU  207 is missing expected H atoms. Skipping.
Residue VAL  208 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue LEU  216 is missing expected H atoms. Skipping.
Residue LEU  218 is missing expected H atoms. Skipping.
Residue LEU  221 is missing expected H atoms. Skipping.
Residue ALA  224 is missing expected H atoms. Skipping.
Residue THR  226 is missing expected H atoms. Skipping.
Residue SER  229 is missing expected H atoms. Skipping.
Residue ILE  232 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue THR  236 is missing expected H atoms. Skipping.
Residue LEU  237 is missing expected H atoms. Skipping.
Residue VAL  238 is missing expected H atoms. Skipping.
Residue THR  239 is missing expected H atoms. Skipping.
Residue LYS  241 is missing expected H atoms. Skipping.
Residue ALA  245 is missing expected H atoms. Skipping.
Residue LYS  246 is missing expected H atoms. Skipping.
Residue LYS  247 is missing expected H atoms. Skipping.
Residue VAL  250 is missing expected H atoms. Skipping.
Residue VAL  251 is missing expected H atoms. Skipping.
Residue VAL  252 is missing expected H atoms. Skipping.
Residue LEU  253 is missing expected H atoms. Skipping.
Residue SER  255 is missing expected H atoms. Skipping.
Residue ALA  259 is missing expected H atoms. Skipping.
Residue MET  260 is missing expected H atoms. Skipping.
Residue THR  262 is missing expected H atoms. Skipping.
Residue ALA  263 is missing expected H atoms. Skipping.
Residue LEU  264 is missing expected H atoms. Skipping.
Residue THR  265 is missing expected H atoms. Skipping.
Residue ALA  267 is missing expected H atoms. Skipping.
Residue THR  268 is missing expected H atoms. Skipping.
Residue ILE  270 is missing expected H atoms. Skipping.
Residue MET  272 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue SER  274 is missing expected H atoms. Skipping.
Residue LEU  277 is missing expected H atoms. Skipping.
Residue LEU  278 is missing expected H atoms. Skipping.
Residue THR  280 is missing expected H atoms. Skipping.
Residue LEU  283 is missing expected H atoms. Skipping.
Residue LYS  284 is missing expected H atoms. Skipping.
Residue LEU  287 is missing expected H atoms. Skipping.
Residue MET  289 is missing expected H atoms. Skipping.
Residue LYS  291 is missing expected H atoms. Skipping.
Residue LEU  292 is missing expected H atoms. Skipping.
Residue LEU  294 is missing expected H atoms. Skipping.
Residue LYS  295 is missing expected H atoms. Skipping.
Residue MET  297 is missing expected H atoms. Skipping.
Residue SER  298 is missing expected H atoms. Skipping.
Residue TYR  299 is missing expected H atoms. Skipping.
Residue SER  300 is missing expected H atoms. Skipping.
Residue MET  301 is missing expected H atoms. Skipping.
Residue THR  303 is missing expected H atoms. Skipping.
Residue LYS  305 is missing expected H atoms. Skipping.
Residue LYS  307 is missing expected H atoms. Skipping.
Residue VAL  308 is missing expected H atoms. Skipping.
Residue VAL  309 is missing expected H atoms. Skipping.
Residue LYS  310 is missing expected H atoms. Skipping.
Residue ILE  312 is missing expected H atoms. Skipping.
Residue ALA  313 is missing expected H atoms. Skipping.
Residue THR  315 is missing expected H atoms. Skipping.
Residue THR  319 is missing expected H atoms. Skipping.
Residue ILE  320 is missing expected H atoms. Skipping.
Residue VAL  321 is missing expected H atoms. Skipping.
Residue ILE  322 is missing expected H atoms. Skipping.
Residue VAL  324 is missing expected H atoms. Skipping.
Residue TYR  326 is missing expected H atoms. Skipping.
Residue SER  331 is missing expected H atoms. Skipping.
Residue LYS  334 is missing expected H atoms. Skipping.
Residue ILE  335 is missing expected H atoms. Skipping.
Residue ILE  339 is missing expected H atoms. Skipping.
Residue MET  340 is missing expected H atoms. Skipping.
Residue LEU  342 is missing expected H atoms. Skipping.
Residue LYS  344 is missing expected H atoms. Skipping.
Residue VAL  347 is missing expected H atoms. Skipping.
Residue LEU  348 is missing expected H atoms. Skipping.
Residue LEU  351 is missing expected H atoms. Skipping.
Residue ILE  352 is missing expected H atoms. Skipping.
Residue THR  353 is missing expected H atoms. Skipping.
Residue VAL  354 is missing expected H atoms. Skipping.
Residue ILE  357 is missing expected H atoms. Skipping.
Residue VAL  358 is missing expected H atoms. Skipping.
Residue THR  359 is missing expected H atoms. Skipping.
Residue LYS  361 is missing expected H atoms. Skipping.
Residue SER  363 is missing expected H atoms. Skipping.
Residue VAL  365 is missing expected H atoms. Skipping.
Residue ILE  367 is missing expected H atoms. Skipping.
Residue ALA  369 is missing expected H atoms. Skipping.
Residue SER  376 is missing expected H atoms. Skipping.
Residue TYR  377 is missing expected H atoms. Skipping.
Residue ILE  378 is missing expected H atoms. Skipping.
Residue ILE  379 is missing expected H atoms. Skipping.
Residue ILE  380 is missing expected H atoms. Skipping.
Residue VAL  382 is missing expected H atoms. Skipping.
Residue LEU  387 is missing expected H atoms. Skipping.
Residue LYS  388 is missing expected H atoms. Skipping.
Residue LEU  389 is missing expected H atoms. Skipping.
Residue LYS  393 is missing expected H atoms. Skipping.
Residue LYS  394 is missing expected H atoms. Skipping.
Residue SER  396 is missing expected H atoms. Skipping.
Residue SER  397 is missing expected H atoms. Skipping.
Residue ILE  398 is missing expected H atoms. Skipping.
Residue MET  401 is missing expected H atoms. Skipping.
Residue ILE  402 is missing expected H atoms. Skipping.
Residue THR  404 is missing expected H atoms. Skipping.
Residue THR  405 is missing expected H atoms. Skipping.
Residue MET  406 is missing expected H atoms. Skipping.
Residue ALA  409 is missing expected H atoms. Skipping.
Residue LYS  410 is missing expected H atoms. Skipping.
Residue MET  412 is missing expected H atoms. Skipping.
Residue ALA  413 is missing expected H atoms. Skipping.
Residue ILE  414 is missing expected H atoms. Skipping.
Residue LEU  415 is missing expected H atoms. Skipping.
Residue THR  418 is missing expected H atoms. Skipping.
Residue ALA  419 is missing expected H atoms. Skipping.
Residue SER  424 is missing expected H atoms. Skipping.
Residue LEU  425 is missing expected H atoms. Skipping.
Residue VAL  428 is missing expected H atoms. Skipping.
Residue THR  430 is missing expected H atoms. Skipping.
Residue SER  431 is missing expected H atoms. Skipping.
Residue ILE  432 is missing expected H atoms. Skipping.
Residue LYS  434 is missing expected H atoms. Skipping.
Residue ALA  435 is missing expected H atoms. Skipping.
Residue LEU  436 is missing expected H atoms. Skipping.
Residue VAL  439 is missing expected H atoms. Skipping.
Residue ALA  442 is missing expected H atoms. Skipping.
Residue ILE  443 is missing expected H atoms. Skipping.
Residue TYR  444 is missing expected H atoms. Skipping.
Residue ALA  446 is missing expected H atoms. Skipping.
Residue ALA  447 is missing expected H atoms. Skipping.
Residue SER  449 is missing expected H atoms. Skipping.
Residue VAL  451 is missing expected H atoms. Skipping.
Residue SER  452 is missing expected H atoms. Skipping.
Residue ILE  454 is missing expected H atoms. Skipping.
Residue MET  455 is missing expected H atoms. Skipping.
Residue LYS  456 is missing expected H atoms. Skipping.
Residue ILE  457 is missing expected H atoms. Skipping.
Residue LEU  458 is missing expected H atoms. Skipping.
Residue ILE  459 is missing expected H atoms. Skipping.
Residue VAL  461 is missing expected H atoms. Skipping.
Residue ILE  462 is missing expected H atoms. Skipping.
Residue ILE  463 is missing expected H atoms. Skipping.
Residue THR  464 is missing expected H atoms. Skipping.
Residue ILE  466 is missing expected H atoms. Skipping.
Residue MET  468 is missing expected H atoms. Skipping.
Residue SER  470 is missing expected H atoms. Skipping.
Residue SER  472 is missing expected H atoms. Skipping.
Residue THR  473 is missing expected H atoms. Skipping.
Residue SER  474 is missing expected H atoms. Skipping.
Residue LEU  475 is missing expected H atoms. Skipping.
Residue SER  476 is missing expected H atoms. Skipping.
Residue VAL  477 is missing expected H atoms. Skipping.
Residue SER  478 is missing expected H atoms. Skipping.
Residue LEU  479 is missing expected H atoms. Skipping.
Residue VAL  480 is missing expected H atoms. Skipping.
Residue LEU  481 is missing expected H atoms. Skipping.
Residue VAL  482 is missing expected H atoms. Skipping.
Residue VAL  484 is missing expected H atoms. Skipping.
Residue VAL  485 is missing expected H atoms. Skipping.
Residue THR  486 is missing expected H atoms. Skipping.
Residue LEU  487 is missing expected H atoms. Skipping.
Residue TYR  488 is missing expected H atoms. Skipping.
Residue LEU  489 is missing expected H atoms. Skipping.
Residue VAL  491 is missing expected H atoms. Skipping.
Residue MET  492 is missing expected H atoms. Skipping.
Residue VAL  493 is missing expected H atoms. Skipping.
Residue VAL    2 is missing expected H atoms. Skipping.
Residue ALA    3 is missing expected H atoms. Skipping.
Residue LEU    4 is missing expected H atoms. Skipping.
Residue VAL    5 is missing expected H atoms. Skipping.
Residue VAL    8 is missing expected H atoms. Skipping.
Residue MET   10 is missing expected H atoms. Skipping.
Residue LEU   12 is missing expected H atoms. Skipping.
Residue THR   14 is missing expected H atoms. Skipping.
Residue ALA   15 is missing expected H atoms. Skipping.
Residue THR   16 is missing expected H atoms. Skipping.
Residue THR   18 is missing expected H atoms. Skipping.
Residue MET   20 is missing expected H atoms. Skipping.
Residue SER   21 is missing expected H atoms. Skipping.
Residue SER   22 is missing expected H atoms. Skipping.
Residue ALA   25 is missing expected H atoms. Skipping.
Residue LYS   27 is missing expected H atoms. Skipping.
Residue ALA   29 is missing expected H atoms. Skipping.
Residue ILE   32 is missing expected H atoms. Skipping.
Residue THR   34 is missing expected H atoms. Skipping.
Residue ILE   36 is missing expected H atoms. Skipping.
Residue LEU   37 is missing expected H atoms. Skipping.
Residue THR   43 is missing expected H atoms. Skipping.
Residue ILE   44 is missing expected H atoms. Skipping.
Residue MET   45 is missing expected H atoms. Skipping.
Residue ALA   46 is missing expected H atoms. Skipping.
Residue ALA   47 is missing expected H atoms. Skipping.
Residue ILE   48 is missing expected H atoms. Skipping.
Residue LEU   49 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue TYR   51 is missing expected H atoms. Skipping.
Residue THR   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue THR   56 is missing expected H atoms. Skipping.
Residue ALA   61 is missing expected H atoms. Skipping.
Residue LEU   62 is missing expected H atoms. Skipping.
Residue ILE   63 is missing expected H atoms. Skipping.
Residue ILE   65 is missing expected H atoms. Skipping.
Residue LEU   66 is missing expected H atoms. Skipping.
Residue LEU   67 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue ALA   69 is missing expected H atoms. Skipping.
Residue VAL   70 is missing expected H atoms. Skipping.
Residue ALA   71 is missing expected H atoms. Skipping.
Residue ILE    4 is missing expected H atoms. Skipping.
Residue ILE    6 is missing expected H atoms. Skipping.
Residue SER    7 is missing expected H atoms. Skipping.
Residue VAL   12 is missing expected H atoms. Skipping.
Residue VAL   15 is missing expected H atoms. Skipping.
Residue SER   16 is missing expected H atoms. Skipping.
Residue SER   19 is missing expected H atoms. Skipping.
Residue VAL   21 is missing expected H atoms. Skipping.
Residue ILE   23 is missing expected H atoms. Skipping.
Residue VAL   24 is missing expected H atoms. Skipping.
Residue LEU   25 is missing expected H atoms. Skipping.
Residue SER   29 is missing expected H atoms. Skipping.
Residue VAL   31 is missing expected H atoms. Skipping.
Residue THR   32 is missing expected H atoms. Skipping.
Residue THR   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   35 is missing expected H atoms. Skipping.
Residue LYS   36 is missing expected H atoms. Skipping.
Residue LYS   38 is missing expected H atoms. Skipping.
Residue THR   40 is missing expected H atoms. Skipping.
Residue LEU   41 is missing expected H atoms. Skipping.
Residue LEU   45 is missing expected H atoms. Skipping.
Residue ILE   46 is missing expected H atoms. Skipping.
Residue THR   48 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue LYS   51 is missing expected H atoms. Skipping.
Residue ALA   54 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue LEU   56 is missing expected H atoms. Skipping.
Residue LYS   58 is missing expected H atoms. Skipping.
Residue TYR   59 is missing expected H atoms. Skipping.
Residue ILE   61 is missing expected H atoms. Skipping.
Residue ALA   63 is missing expected H atoms. Skipping.
Residue LYS   64 is missing expected H atoms. Skipping.
Residue LEU   65 is missing expected H atoms. Skipping.
Residue THR   66 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue THR   69 is missing expected H atoms. Skipping.
Residue THR   70 is missing expected H atoms. Skipping.
Residue SER   72 is missing expected H atoms. Skipping.
Residue THR   76 is missing expected H atoms. Skipping.
Residue SER   81 is missing expected H atoms. Skipping.
Residue LEU   82 is missing expected H atoms. Skipping.
Residue LYS   88 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue LYS   93 is missing expected H atoms. Skipping.
Residue SER   95 is missing expected H atoms. Skipping.
Residue MET   96 is missing expected H atoms. Skipping.
Residue VAL   97 is missing expected H atoms. Skipping.
Residue LEU  107 is missing expected H atoms. Skipping.
Residue LYS  110 is missing expected H atoms. Skipping.
Residue ILE  113 is missing expected H atoms. Skipping.
Residue VAL  114 is missing expected H atoms. Skipping.
Residue THR  115 is missing expected H atoms. Skipping.
Residue ALA  117 is missing expected H atoms. Skipping.
Residue MET  118 is missing expected H atoms. Skipping.
Residue THR  120 is missing expected H atoms. Skipping.
Residue LYS  122 is missing expected H atoms. Skipping.
Residue LYS  123 is missing expected H atoms. Skipping.
Residue MET  125 is missing expected H atoms. Skipping.
Residue LYS  126 is missing expected H atoms. Skipping.
Residue LYS  128 is missing expected H atoms. Skipping.
Residue VAL  129 is missing expected H atoms. Skipping.
Residue VAL  130 is missing expected H atoms. Skipping.
Residue LEU  135 is missing expected H atoms. Skipping.
Residue TYR  137 is missing expected H atoms. Skipping.
Residue THR  138 is missing expected H atoms. Skipping.
Residue ILE  139 is missing expected H atoms. Skipping.
Residue VAL  140 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue THR  142 is missing expected H atoms. Skipping.
Residue SER  145 is missing expected H atoms. Skipping.
Residue ALA  150 is missing expected H atoms. Skipping.
Residue VAL  151 is missing expected H atoms. Skipping.
Residue THR  155 is missing expected H atoms. Skipping.
Residue LYS  157 is missing expected H atoms. Skipping.
Residue LYS  160 is missing expected H atoms. Skipping.
Residue ILE  162 is missing expected H atoms. Skipping.
Residue LYS  163 is missing expected H atoms. Skipping.
Residue ILE  164 is missing expected H atoms. Skipping.
Residue THR  165 is missing expected H atoms. Skipping.
Residue SER  168 is missing expected H atoms. Skipping.
Residue SER  169 is missing expected H atoms. Skipping.
Residue ILE  170 is missing expected H atoms. Skipping.
Residue THR  171 is missing expected H atoms. Skipping.
Residue ALA  173 is missing expected H atoms. Skipping.
Residue LEU  175 is missing expected H atoms. Skipping.
Residue THR  176 is missing expected H atoms. Skipping.
Residue TYR  178 is missing expected H atoms. Skipping.
Residue THR  180 is missing expected H atoms. Skipping.
Residue VAL  181 is missing expected H atoms. Skipping.
Residue THR  182 is missing expected H atoms. Skipping.
Residue MET  183 is missing expected H atoms. Skipping.
Residue SER  186 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue LEU  191 is missing expected H atoms. Skipping.
Residue MET  196 is missing expected H atoms. Skipping.
Residue VAL  197 is missing expected H atoms. Skipping.
Residue LEU  198 is missing expected H atoms. Skipping.
Residue LEU  199 is missing expected H atoms. Skipping.
Residue MET  201 is missing expected H atoms. Skipping.
Residue LYS  204 is missing expected H atoms. Skipping.
Residue ALA  205 is missing expected H atoms. Skipping.
Residue LEU  207 is missing expected H atoms. Skipping.
Residue VAL  208 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue LEU  216 is missing expected H atoms. Skipping.
Residue LEU  218 is missing expected H atoms. Skipping.
Residue LEU  221 is missing expected H atoms. Skipping.
Residue ALA  224 is missing expected H atoms. Skipping.
Residue THR  226 is missing expected H atoms. Skipping.
Residue SER  229 is missing expected H atoms. Skipping.
Residue ILE  232 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue THR  236 is missing expected H atoms. Skipping.
Residue LEU  237 is missing expected H atoms. Skipping.
Residue VAL  238 is missing expected H atoms. Skipping.
Residue THR  239 is missing expected H atoms. Skipping.
Residue LYS  241 is missing expected H atoms. Skipping.
Residue ALA  245 is missing expected H atoms. Skipping.
Residue LYS  246 is missing expected H atoms. Skipping.
Residue LYS  247 is missing expected H atoms. Skipping.
Residue VAL  250 is missing expected H atoms. Skipping.
Residue VAL  251 is missing expected H atoms. Skipping.
Residue VAL  252 is missing expected H atoms. Skipping.
Residue LEU  253 is missing expected H atoms. Skipping.
Residue SER  255 is missing expected H atoms. Skipping.
Residue ALA  259 is missing expected H atoms. Skipping.
Residue MET  260 is missing expected H atoms. Skipping.
Residue THR  262 is missing expected H atoms. Skipping.
Residue ALA  263 is missing expected H atoms. Skipping.
Residue LEU  264 is missing expected H atoms. Skipping.
Residue THR  265 is missing expected H atoms. Skipping.
Residue ALA  267 is missing expected H atoms. Skipping.
Residue THR  268 is missing expected H atoms. Skipping.
Residue ILE  270 is missing expected H atoms. Skipping.
Residue MET  272 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue SER  274 is missing expected H atoms. Skipping.
Residue LEU  277 is missing expected H atoms. Skipping.
Residue LEU  278 is missing expected H atoms. Skipping.
Residue THR  280 is missing expected H atoms. Skipping.
Residue LEU  283 is missing expected H atoms. Skipping.
Residue LYS  284 is missing expected H atoms. Skipping.
Residue LEU  287 is missing expected H atoms. Skipping.
Residue MET  289 is missing expected H atoms. Skipping.
Residue LYS  291 is missing expected H atoms. Skipping.
Residue LEU  292 is missing expected H atoms. Skipping.
Residue LEU  294 is missing expected H atoms. Skipping.
Residue LYS  295 is missing expected H atoms. Skipping.
Residue MET  297 is missing expected H atoms. Skipping.
Residue SER  298 is missing expected H atoms. Skipping.
Residue TYR  299 is missing expected H atoms. Skipping.
Residue SER  300 is missing expected H atoms. Skipping.
Residue MET  301 is missing expected H atoms. Skipping.
Residue THR  303 is missing expected H atoms. Skipping.
Residue LYS  305 is missing expected H atoms. Skipping.
Residue LYS  307 is missing expected H atoms. Skipping.
Residue VAL  308 is missing expected H atoms. Skipping.
Residue VAL  309 is missing expected H atoms. Skipping.
Residue LYS  310 is missing expected H atoms. Skipping.
Residue ILE  312 is missing expected H atoms. Skipping.
Residue ALA  313 is missing expected H atoms. Skipping.
Residue THR  315 is missing expected H atoms. Skipping.
Residue THR  319 is missing expected H atoms. Skipping.
Residue ILE  320 is missing expected H atoms. Skipping.
Residue VAL  321 is missing expected H atoms. Skipping.
Residue ILE  322 is missing expected H atoms. Skipping.
Residue VAL  324 is missing expected H atoms. Skipping.
Residue TYR  326 is missing expected H atoms. Skipping.
Residue SER  331 is missing expected H atoms. Skipping.
Residue LYS  334 is missing expected H atoms. Skipping.
Residue ILE  335 is missing expected H atoms. Skipping.
Residue ILE  339 is missing expected H atoms. Skipping.
Residue MET  340 is missing expected H atoms. Skipping.
Residue LEU  342 is missing expected H atoms. Skipping.
Residue LYS  344 is missing expected H atoms. Skipping.
Residue VAL  347 is missing expected H atoms. Skipping.
Residue LEU  348 is missing expected H atoms. Skipping.
Residue LEU  351 is missing expected H atoms. Skipping.
Residue ILE  352 is missing expected H atoms. Skipping.
Residue THR  353 is missing expected H atoms. Skipping.
Residue VAL  354 is missing expected H atoms. Skipping.
Residue ILE  357 is missing expected H atoms. Skipping.
Residue VAL  358 is missing expected H atoms. Skipping.
Residue THR  359 is missing expected H atoms. Skipping.
Residue LYS  361 is missing expected H atoms. Skipping.
Residue SER  363 is missing expected H atoms. Skipping.
Residue VAL  365 is missing expected H atoms. Skipping.
Residue ILE  367 is missing expected H atoms. Skipping.
Residue ALA  369 is missing expected H atoms. Skipping.
Residue SER  376 is missing expected H atoms. Skipping.
Residue TYR  377 is missing expected H atoms. Skipping.
Residue ILE  378 is missing expected H atoms. Skipping.
Residue ILE  379 is missing expected H atoms. Skipping.
Residue ILE  380 is missing expected H atoms. Skipping.
Residue VAL  382 is missing expected H atoms. Skipping.
Residue LEU  387 is missing expected H atoms. Skipping.
Residue LYS  388 is missing expected H atoms. Skipping.
Residue LEU  389 is missing expected H atoms. Skipping.
Residue LYS  393 is missing expected H atoms. Skipping.
Residue LYS  394 is missing expected H atoms. Skipping.
Residue SER  396 is missing expected H atoms. Skipping.
Residue SER  397 is missing expected H atoms. Skipping.
Residue ILE  398 is missing expected H atoms. Skipping.
Residue MET  401 is missing expected H atoms. Skipping.
Residue ILE  402 is missing expected H atoms. Skipping.
Residue THR  404 is missing expected H atoms. Skipping.
Residue THR  405 is missing expected H atoms. Skipping.
Residue MET  406 is missing expected H atoms. Skipping.
Residue ALA  409 is missing expected H atoms. Skipping.
Residue LYS  410 is missing expected H atoms. Skipping.
Residue MET  412 is missing expected H atoms. Skipping.
Residue ALA  413 is missing expected H atoms. Skipping.
Residue ILE  414 is missing expected H atoms. Skipping.
Residue LEU  415 is missing expected H atoms. Skipping.
Residue THR  418 is missing expected H atoms. Skipping.
Residue ALA  419 is missing expected H atoms. Skipping.
Residue SER  424 is missing expected H atoms. Skipping.
Residue LEU  425 is missing expected H atoms. Skipping.
Residue VAL  428 is missing expected H atoms. Skipping.
Residue THR  430 is missing expected H atoms. Skipping.
Residue SER  431 is missing expected H atoms. Skipping.
Residue ILE  432 is missing expected H atoms. Skipping.
Residue LYS  434 is missing expected H atoms. Skipping.
Residue ALA  435 is missing expected H atoms. Skipping.
Residue LEU  436 is missing expected H atoms. Skipping.
Residue VAL  439 is missing expected H atoms. Skipping.
Residue ALA  442 is missing expected H atoms. Skipping.
Residue ILE  443 is missing expected H atoms. Skipping.
Residue TYR  444 is missing expected H atoms. Skipping.
Residue ALA  446 is missing expected H atoms. Skipping.
Residue ALA  447 is missing expected H atoms. Skipping.
Residue SER  449 is missing expected H atoms. Skipping.
Residue VAL  451 is missing expected H atoms. Skipping.
Residue SER  452 is missing expected H atoms. Skipping.
Residue ILE  454 is missing expected H atoms. Skipping.
Residue MET  455 is missing expected H atoms. Skipping.
Residue LYS  456 is missing expected H atoms. Skipping.
Residue ILE  457 is missing expected H atoms. Skipping.
Residue LEU  458 is missing expected H atoms. Skipping.
Residue ILE  459 is missing expected H atoms. Skipping.
Residue VAL  461 is missing expected H atoms. Skipping.
Residue ILE  462 is missing expected H atoms. Skipping.
Residue ILE  463 is missing expected H atoms. Skipping.
Residue THR  464 is missing expected H atoms. Skipping.
Residue ILE  466 is missing expected H atoms. Skipping.
Residue MET  468 is missing expected H atoms. Skipping.
Residue SER  470 is missing expected H atoms. Skipping.
Residue SER  472 is missing expected H atoms. Skipping.
Residue THR  473 is missing expected H atoms. Skipping.
Residue SER  474 is missing expected H atoms. Skipping.
Residue LEU  475 is missing expected H atoms. Skipping.
Residue SER  476 is missing expected H atoms. Skipping.
Residue VAL  477 is missing expected H atoms. Skipping.
Residue SER  478 is missing expected H atoms. Skipping.
Residue LEU  479 is missing expected H atoms. Skipping.
Residue VAL  480 is missing expected H atoms. Skipping.
Residue LEU  481 is missing expected H atoms. Skipping.
Residue VAL  482 is missing expected H atoms. Skipping.
Residue VAL  484 is missing expected H atoms. Skipping.
Residue VAL  485 is missing expected H atoms. Skipping.
Residue THR  486 is missing expected H atoms. Skipping.
Residue LEU  487 is missing expected H atoms. Skipping.
Residue TYR  488 is missing expected H atoms. Skipping.
Residue LEU  489 is missing expected H atoms. Skipping.
Residue VAL  491 is missing expected H atoms. Skipping.
Residue MET  492 is missing expected H atoms. Skipping.
Residue VAL  493 is missing expected H atoms. Skipping.
Residue VAL    2 is missing expected H atoms. Skipping.
Residue ALA    3 is missing expected H atoms. Skipping.
Residue LEU    4 is missing expected H atoms. Skipping.
Residue VAL    5 is missing expected H atoms. Skipping.
Residue VAL    8 is missing expected H atoms. Skipping.
Residue MET   10 is missing expected H atoms. Skipping.
Residue LEU   12 is missing expected H atoms. Skipping.
Residue THR   14 is missing expected H atoms. Skipping.
Residue ALA   15 is missing expected H atoms. Skipping.
Residue THR   16 is missing expected H atoms. Skipping.
Residue THR   18 is missing expected H atoms. Skipping.
Residue MET   20 is missing expected H atoms. Skipping.
Residue SER   21 is missing expected H atoms. Skipping.
Residue SER   22 is missing expected H atoms. Skipping.
Residue ALA   25 is missing expected H atoms. Skipping.
Residue LYS   27 is missing expected H atoms. Skipping.
Residue ALA   29 is missing expected H atoms. Skipping.
Residue ILE   32 is missing expected H atoms. Skipping.
Residue THR   34 is missing expected H atoms. Skipping.
Residue ILE   36 is missing expected H atoms. Skipping.
Residue LEU   37 is missing expected H atoms. Skipping.
Residue THR   43 is missing expected H atoms. Skipping.
Residue ILE   44 is missing expected H atoms. Skipping.
Residue MET   45 is missing expected H atoms. Skipping.
Residue ALA   46 is missing expected H atoms. Skipping.
Residue ALA   47 is missing expected H atoms. Skipping.
Residue ILE   48 is missing expected H atoms. Skipping.
Residue LEU   49 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue TYR   51 is missing expected H atoms. Skipping.
Residue THR   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue THR   56 is missing expected H atoms. Skipping.
Residue ALA   61 is missing expected H atoms. Skipping.
Residue LEU   62 is missing expected H atoms. Skipping.
Residue ILE   63 is missing expected H atoms. Skipping.
Residue ILE   65 is missing expected H atoms. Skipping.
Residue LEU   66 is missing expected H atoms. Skipping.
Residue LEU   67 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue ALA   69 is missing expected H atoms. Skipping.
Residue VAL   70 is missing expected H atoms. Skipping.
Residue ALA   71 is missing expected H atoms. Skipping.
Evaluate side-chains
  383 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 131
    poor density    : 252
  time to evaluate  : 1.068 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
REVERT: A   99 ARG cc_start: 0.7143 (mtp180) cc_final: 0.6915 (ttp-170)
REVERT: A  125 MET cc_start: 0.7140 (OUTLIER) cc_final: 0.5191 (pmt)
REVERT: A  135 LEU cc_start: 0.8456 (OUTLIER) cc_final: 0.8027 (tm)
REVERT: A  157 LYS cc_start: 0.7733 (OUTLIER) cc_final: 0.7418 (ptmt)
REVERT: A  247 LYS cc_start: 0.7683 (OUTLIER) cc_final: 0.7071 (mmmt)
REVERT: A  260 MET cc_start: 0.6778 (tpt) cc_final: 0.6526 (tpt)
REVERT: A  277 LEU cc_start: 0.8614 (OUTLIER) cc_final: 0.8170 (pt)
REVERT: A  400 GLN cc_start: 0.8451 (tp40) cc_final: 0.8217 (tp40)
REVERT: A  422 PHE cc_start: 0.7159 (OUTLIER) cc_final: 0.5831 (t80)
REVERT: A  444 TYR cc_start: 0.6179 (OUTLIER) cc_final: 0.5031 (m-80)
REVERT: B   27 LYS cc_start: 0.6997 (ttpp) cc_final: 0.6569 (tppt)
REVERT: B   31 ARG cc_start: 0.7694 (ppt-90) cc_final: 0.7200 (ttp80)
REVERT: C   64 LYS cc_start: 0.6445 (OUTLIER) cc_final: 0.5961 (ptmt)
REVERT: C  128 LYS cc_start: 0.7753 (OUTLIER) cc_final: 0.7499 (mmtp)
REVERT: C  149 HIS cc_start: 0.5414 (OUTLIER) cc_final: 0.4332 (p-80)
REVERT: C  157 LYS cc_start: 0.7797 (OUTLIER) cc_final: 0.7536 (ptmt)
REVERT: C  204 LYS cc_start: 0.7896 (OUTLIER) cc_final: 0.7406 (ptpp)
REVERT: C  247 LYS cc_start: 0.7977 (OUTLIER) cc_final: 0.7417 (mmmt)
REVERT: C  269 GLU cc_start: 0.8378 (tt0) cc_final: 0.8000 (pm20)
REVERT: C  323 ARG cc_start: 0.7519 (OUTLIER) cc_final: 0.7242 (tpp-160)
REVERT: C  344 LYS cc_start: 0.4878 (mmtt) cc_final: 0.4108 (mtmm)
REVERT: C  351 LEU cc_start: 0.8147 (OUTLIER) cc_final: 0.7781 (tm)
REVERT: C  402 ILE cc_start: 0.7788 (OUTLIER) cc_final: 0.7305 (mm)
REVERT: C  407 ARG cc_start: 0.7808 (ttp80) cc_final: 0.7453 (ttm-80)
REVERT: C  434 LYS cc_start: 0.7169 (OUTLIER) cc_final: 0.6914 (ttpp)
REVERT: C  488 TYR cc_start: 0.7002 (t80) cc_final: 0.6181 (t80)
REVERT: C  492 MET cc_start: 0.7381 (tpp) cc_final: 0.6966 (tpp)
REVERT: D   26 TRP cc_start: 0.6502 (OUTLIER) cc_final: 0.6108 (m100)
  outliers start: 131
  outliers final: 103
  residues processed: 335
  average time/residue: 0.2339
  time to fit residues: 107.3328
Evaluate side-chains
  370 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 121
    poor density    : 249
  time to evaluate  : 1.030 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue    1 MET
Chi-restraints excluded: chain A residue    3 CYS
Chi-restraints excluded: chain A residue   10 ASP
Chi-restraints excluded: chain A residue   20 TRP
Chi-restraints excluded: chain A residue   22 ASP
Chi-restraints excluded: chain A residue   23 ILE
Chi-restraints excluded: chain A residue   25 LEU
Chi-restraints excluded: chain A residue   45 LEU
Chi-restraints excluded: chain A residue   58 LYS
Chi-restraints excluded: chain A residue   61 ILE
Chi-restraints excluded: chain A residue   65 LEU
Chi-restraints excluded: chain A residue   69 THR
Chi-restraints excluded: chain A residue   77 GLN
Chi-restraints excluded: chain A residue   95 SER
Chi-restraints excluded: chain A residue  107 LEU
Chi-restraints excluded: chain A residue  113 ILE
Chi-restraints excluded: chain A residue  118 MET
Chi-restraints excluded: chain A residue  125 MET
Chi-restraints excluded: chain A residue  129 VAL
Chi-restraints excluded: chain A residue  135 LEU
Chi-restraints excluded: chain A residue  141 ILE
Chi-restraints excluded: chain A residue  157 LYS
Chi-restraints excluded: chain A residue  158 HIS
Chi-restraints excluded: chain A residue  162 ILE
Chi-restraints excluded: chain A residue  164 ILE
Chi-restraints excluded: chain A residue  170 ILE
Chi-restraints excluded: chain A residue  174 GLU
Chi-restraints excluded: chain A residue  175 LEU
Chi-restraints excluded: chain A residue  196 MET
Chi-restraints excluded: chain A residue  203 ASN
Chi-restraints excluded: chain A residue  204 LYS
Chi-restraints excluded: chain A residue  207 LEU
Chi-restraints excluded: chain A residue  240 PHE
Chi-restraints excluded: chain A residue  244 HIS
Chi-restraints excluded: chain A residue  247 LYS
Chi-restraints excluded: chain A residue  277 LEU
Chi-restraints excluded: chain A residue  280 THR
Chi-restraints excluded: chain A residue  283 LEU
Chi-restraints excluded: chain A residue  302 CYS
Chi-restraints excluded: chain A residue  308 VAL
Chi-restraints excluded: chain A residue  312 ILE
Chi-restraints excluded: chain A residue  324 VAL
Chi-restraints excluded: chain A residue  340 MET
Chi-restraints excluded: chain A residue  348 LEU
Chi-restraints excluded: chain A residue  351 LEU
Chi-restraints excluded: chain A residue  422 PHE
Chi-restraints excluded: chain A residue  432 ILE
Chi-restraints excluded: chain A residue  444 TYR
Chi-restraints excluded: chain A residue  448 PHE
Chi-restraints excluded: chain A residue  457 ILE
Chi-restraints excluded: chain A residue  466 ILE
Chi-restraints excluded: chain A residue  480 VAL
Chi-restraints excluded: chain B residue   16 THR
Chi-restraints excluded: chain B residue   32 ILE
Chi-restraints excluded: chain B residue   36 ILE
Chi-restraints excluded: chain B residue   37 LEU
Chi-restraints excluded: chain B residue   44 ILE
Chi-restraints excluded: chain B residue   67 LEU
Chi-restraints excluded: chain C residue    3 CYS
Chi-restraints excluded: chain C residue   10 ASP
Chi-restraints excluded: chain C residue   20 TRP
Chi-restraints excluded: chain C residue   23 ILE
Chi-restraints excluded: chain C residue   25 LEU
Chi-restraints excluded: chain C residue   38 LYS
Chi-restraints excluded: chain C residue   45 LEU
Chi-restraints excluded: chain C residue   48 THR
Chi-restraints excluded: chain C residue   58 LYS
Chi-restraints excluded: chain C residue   61 ILE
Chi-restraints excluded: chain C residue   64 LYS
Chi-restraints excluded: chain C residue   65 LEU
Chi-restraints excluded: chain C residue   69 THR
Chi-restraints excluded: chain C residue   84 GLU
Chi-restraints excluded: chain C residue  107 LEU
Chi-restraints excluded: chain C residue  122 LYS
Chi-restraints excluded: chain C residue  126 LYS
Chi-restraints excluded: chain C residue  128 LYS
Chi-restraints excluded: chain C residue  129 VAL
Chi-restraints excluded: chain C residue  135 LEU
Chi-restraints excluded: chain C residue  141 ILE
Chi-restraints excluded: chain C residue  149 HIS
Chi-restraints excluded: chain C residue  157 LYS
Chi-restraints excluded: chain C residue  158 HIS
Chi-restraints excluded: chain C residue  162 ILE
Chi-restraints excluded: chain C residue  164 ILE
Chi-restraints excluded: chain C residue  181 VAL
Chi-restraints excluded: chain C residue  196 MET
Chi-restraints excluded: chain C residue  204 LYS
Chi-restraints excluded: chain C residue  240 PHE
Chi-restraints excluded: chain C residue  244 HIS
Chi-restraints excluded: chain C residue  247 LYS
Chi-restraints excluded: chain C residue  278 LEU
Chi-restraints excluded: chain C residue  280 THR
Chi-restraints excluded: chain C residue  283 LEU
Chi-restraints excluded: chain C residue  287 LEU
Chi-restraints excluded: chain C residue  294 LEU
Chi-restraints excluded: chain C residue  299 TYR
Chi-restraints excluded: chain C residue  302 CYS
Chi-restraints excluded: chain C residue  303 THR
Chi-restraints excluded: chain C residue  312 ILE
Chi-restraints excluded: chain C residue  323 ARG
Chi-restraints excluded: chain C residue  324 VAL
Chi-restraints excluded: chain C residue  335 ILE
Chi-restraints excluded: chain C residue  351 LEU
Chi-restraints excluded: chain C residue  366 ASN
Chi-restraints excluded: chain C residue  380 ILE
Chi-restraints excluded: chain C residue  389 LEU
Chi-restraints excluded: chain C residue  402 ILE
Chi-restraints excluded: chain C residue  422 PHE
Chi-restraints excluded: chain C residue  432 ILE
Chi-restraints excluded: chain C residue  434 LYS
Chi-restraints excluded: chain C residue  454 ILE
Chi-restraints excluded: chain C residue  457 ILE
Chi-restraints excluded: chain C residue  466 ILE
Chi-restraints excluded: chain C residue  481 LEU
Chi-restraints excluded: chain D residue   26 TRP
Chi-restraints excluded: chain D residue   36 ILE
Chi-restraints excluded: chain D residue   37 LEU
Chi-restraints excluded: chain D residue   44 ILE
Chi-restraints excluded: chain D residue   52 THR
Chi-restraints excluded: chain D residue   59 GLN
Chi-restraints excluded: chain D residue   63 ILE
Rotamers are restrained with sigma=1.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 112
   random chunks:
   chunk 32 optimal weight:   20.0000
   chunk 60 optimal weight:    6.9990
   chunk 34 optimal weight:    7.9990
   chunk 18 optimal weight:   20.0000
   chunk 39 optimal weight:    7.9990
   chunk 103 optimal weight:   30.0000
   chunk 72 optimal weight:    0.6980
   chunk 80 optimal weight:    0.8980
   chunk 74 optimal weight:    5.9990
   chunk 30 optimal weight:   20.0000
   chunk 79 optimal weight:   20.0000
   overall best weight:    4.5186

-------------------------------------------------------------------------------
NQH flips
*********
Analyzing N/Q/H residues for possible flip corrections...

Flipped N/Q/H residues before XYZ refinement:
** A  27 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
A 203 ASN
** A 271 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
** A 355 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** B   7 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** B  59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
** C  27 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
C 149 HIS
** C 158 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
C 203 ASN
** C 355 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** D   7 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** D  59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**

Total number of N/Q/H flips: 3

-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.3790 r_free = 0.3790 target = 0.151121 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 35)----------------|
| r_work = 0.3660 r_free = 0.3660 target = 0.140457 restraints weight = 21598.383|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 41)----------------|
| r_work = 0.3693 r_free = 0.3693 target = 0.143209 restraints weight = 10911.393|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 29)----------------|
| r_work = 0.3714 r_free = 0.3714 target = 0.145016 restraints weight = 6487.761|
|-----------------------------------------------------------------------------|
r_work (final): 0.3713
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7275
moved from start:          0.5630

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.003   0.043   8986  Z= 0.197
  Angle     :  0.732  10.067  12164  Z= 0.371
  Chirality :  0.043   0.179   1412
  Planarity :  0.004   0.038   1520
  Dihedral  : 11.098  85.138   1465
  Min Nonbonded Distance : 2.156

Molprobity Statistics.
  All-atom Clashscore : 71.38
  Ramachandran Plot:
    Outliers :  3.82 %
    Allowed  : 20.52 %
    Favored  : 75.67 %
  Rotamer:
    Outliers : 12.79 %
    Allowed  : 32.08 %
    Favored  : 55.14 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.18 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole: -4.55 (0.22), residues: 1126
  helix: -1.48 (0.26), residues: 306
  sheet: -1.79 (0.34), residues: 252
  loop : -4.71 (0.20), residues: 568

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.024   0.002   TRP A 101 
 HIS   0.007   0.001   HIS C 149 
 PHE   0.020   0.002   PHE C  43 
 TYR   0.013   0.002   TYR A 137 
 ARG   0.003   0.000   ARG B  31 

********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************

-------------------------------------------------------------------------------
Update Rama plot phi/psi targets (oldfield only)
************************************************

  2252 Ramachandran restraints generated.
    1126 Oldfield, 0 Emsley, 1126 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  2252 Ramachandran restraints generated.
    1126 Oldfield, 0 Emsley, 1126 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Residue ILE    4 is missing expected H atoms. Skipping.
Residue ILE    6 is missing expected H atoms. Skipping.
Residue SER    7 is missing expected H atoms. Skipping.
Residue VAL   12 is missing expected H atoms. Skipping.
Residue VAL   15 is missing expected H atoms. Skipping.
Residue SER   16 is missing expected H atoms. Skipping.
Residue SER   19 is missing expected H atoms. Skipping.
Residue VAL   21 is missing expected H atoms. Skipping.
Residue ILE   23 is missing expected H atoms. Skipping.
Residue VAL   24 is missing expected H atoms. Skipping.
Residue LEU   25 is missing expected H atoms. Skipping.
Residue SER   29 is missing expected H atoms. Skipping.
Residue VAL   31 is missing expected H atoms. Skipping.
Residue THR   32 is missing expected H atoms. Skipping.
Residue THR   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   35 is missing expected H atoms. Skipping.
Residue LYS   36 is missing expected H atoms. Skipping.
Residue LYS   38 is missing expected H atoms. Skipping.
Residue THR   40 is missing expected H atoms. Skipping.
Residue LEU   41 is missing expected H atoms. Skipping.
Residue LEU   45 is missing expected H atoms. Skipping.
Residue ILE   46 is missing expected H atoms. Skipping.
Residue THR   48 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue LYS   51 is missing expected H atoms. Skipping.
Residue ALA   54 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue LEU   56 is missing expected H atoms. Skipping.
Residue LYS   58 is missing expected H atoms. Skipping.
Residue TYR   59 is missing expected H atoms. Skipping.
Residue ILE   61 is missing expected H atoms. Skipping.
Residue ALA   63 is missing expected H atoms. Skipping.
Residue LYS   64 is missing expected H atoms. Skipping.
Residue LEU   65 is missing expected H atoms. Skipping.
Residue THR   66 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue THR   69 is missing expected H atoms. Skipping.
Residue THR   70 is missing expected H atoms. Skipping.
Residue SER   72 is missing expected H atoms. Skipping.
Residue THR   76 is missing expected H atoms. Skipping.
Residue SER   81 is missing expected H atoms. Skipping.
Residue LEU   82 is missing expected H atoms. Skipping.
Residue LYS   88 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue LYS   93 is missing expected H atoms. Skipping.
Residue SER   95 is missing expected H atoms. Skipping.
Residue MET   96 is missing expected H atoms. Skipping.
Residue VAL   97 is missing expected H atoms. Skipping.
Residue LEU  107 is missing expected H atoms. Skipping.
Residue LYS  110 is missing expected H atoms. Skipping.
Residue ILE  113 is missing expected H atoms. Skipping.
Residue VAL  114 is missing expected H atoms. Skipping.
Residue THR  115 is missing expected H atoms. Skipping.
Residue ALA  117 is missing expected H atoms. Skipping.
Residue MET  118 is missing expected H atoms. Skipping.
Residue THR  120 is missing expected H atoms. Skipping.
Residue LYS  122 is missing expected H atoms. Skipping.
Residue LYS  123 is missing expected H atoms. Skipping.
Residue MET  125 is missing expected H atoms. Skipping.
Residue LYS  126 is missing expected H atoms. Skipping.
Residue LYS  128 is missing expected H atoms. Skipping.
Residue VAL  129 is missing expected H atoms. Skipping.
Residue VAL  130 is missing expected H atoms. Skipping.
Residue LEU  135 is missing expected H atoms. Skipping.
Residue TYR  137 is missing expected H atoms. Skipping.
Residue THR  138 is missing expected H atoms. Skipping.
Residue ILE  139 is missing expected H atoms. Skipping.
Residue VAL  140 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue THR  142 is missing expected H atoms. Skipping.
Residue SER  145 is missing expected H atoms. Skipping.
Residue ALA  150 is missing expected H atoms. Skipping.
Residue VAL  151 is missing expected H atoms. Skipping.
Residue THR  155 is missing expected H atoms. Skipping.
Residue LYS  157 is missing expected H atoms. Skipping.
Residue LYS  160 is missing expected H atoms. Skipping.
Residue ILE  162 is missing expected H atoms. Skipping.
Residue LYS  163 is missing expected H atoms. Skipping.
Residue ILE  164 is missing expected H atoms. Skipping.
Residue THR  165 is missing expected H atoms. Skipping.
Residue SER  168 is missing expected H atoms. Skipping.
Residue SER  169 is missing expected H atoms. Skipping.
Residue ILE  170 is missing expected H atoms. Skipping.
Residue THR  171 is missing expected H atoms. Skipping.
Residue ALA  173 is missing expected H atoms. Skipping.
Residue LEU  175 is missing expected H atoms. Skipping.
Residue THR  176 is missing expected H atoms. Skipping.
Residue TYR  178 is missing expected H atoms. Skipping.
Residue THR  180 is missing expected H atoms. Skipping.
Residue VAL  181 is missing expected H atoms. Skipping.
Residue THR  182 is missing expected H atoms. Skipping.
Residue MET  183 is missing expected H atoms. Skipping.
Residue SER  186 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue LEU  191 is missing expected H atoms. Skipping.
Residue MET  196 is missing expected H atoms. Skipping.
Residue VAL  197 is missing expected H atoms. Skipping.
Residue LEU  198 is missing expected H atoms. Skipping.
Residue LEU  199 is missing expected H atoms. Skipping.
Residue MET  201 is missing expected H atoms. Skipping.
Residue LYS  204 is missing expected H atoms. Skipping.
Residue ALA  205 is missing expected H atoms. Skipping.
Residue LEU  207 is missing expected H atoms. Skipping.
Residue VAL  208 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue LEU  216 is missing expected H atoms. Skipping.
Residue LEU  218 is missing expected H atoms. Skipping.
Residue LEU  221 is missing expected H atoms. Skipping.
Residue ALA  224 is missing expected H atoms. Skipping.
Residue THR  226 is missing expected H atoms. Skipping.
Residue SER  229 is missing expected H atoms. Skipping.
Residue ILE  232 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue THR  236 is missing expected H atoms. Skipping.
Residue LEU  237 is missing expected H atoms. Skipping.
Residue VAL  238 is missing expected H atoms. Skipping.
Residue THR  239 is missing expected H atoms. Skipping.
Residue LYS  241 is missing expected H atoms. Skipping.
Residue ALA  245 is missing expected H atoms. Skipping.
Residue LYS  246 is missing expected H atoms. Skipping.
Residue LYS  247 is missing expected H atoms. Skipping.
Residue VAL  250 is missing expected H atoms. Skipping.
Residue VAL  251 is missing expected H atoms. Skipping.
Residue VAL  252 is missing expected H atoms. Skipping.
Residue LEU  253 is missing expected H atoms. Skipping.
Residue SER  255 is missing expected H atoms. Skipping.
Residue ALA  259 is missing expected H atoms. Skipping.
Residue MET  260 is missing expected H atoms. Skipping.
Residue THR  262 is missing expected H atoms. Skipping.
Residue ALA  263 is missing expected H atoms. Skipping.
Residue LEU  264 is missing expected H atoms. Skipping.
Residue THR  265 is missing expected H atoms. Skipping.
Residue ALA  267 is missing expected H atoms. Skipping.
Residue THR  268 is missing expected H atoms. Skipping.
Residue ILE  270 is missing expected H atoms. Skipping.
Residue MET  272 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue SER  274 is missing expected H atoms. Skipping.
Residue LEU  277 is missing expected H atoms. Skipping.
Residue LEU  278 is missing expected H atoms. Skipping.
Residue THR  280 is missing expected H atoms. Skipping.
Residue LEU  283 is missing expected H atoms. Skipping.
Residue LYS  284 is missing expected H atoms. Skipping.
Residue LEU  287 is missing expected H atoms. Skipping.
Residue MET  289 is missing expected H atoms. Skipping.
Residue LYS  291 is missing expected H atoms. Skipping.
Residue LEU  292 is missing expected H atoms. Skipping.
Residue LEU  294 is missing expected H atoms. Skipping.
Residue LYS  295 is missing expected H atoms. Skipping.
Residue MET  297 is missing expected H atoms. Skipping.
Residue SER  298 is missing expected H atoms. Skipping.
Residue TYR  299 is missing expected H atoms. Skipping.
Residue SER  300 is missing expected H atoms. Skipping.
Residue MET  301 is missing expected H atoms. Skipping.
Residue THR  303 is missing expected H atoms. Skipping.
Residue LYS  305 is missing expected H atoms. Skipping.
Residue LYS  307 is missing expected H atoms. Skipping.
Residue VAL  308 is missing expected H atoms. Skipping.
Residue VAL  309 is missing expected H atoms. Skipping.
Residue LYS  310 is missing expected H atoms. Skipping.
Residue ILE  312 is missing expected H atoms. Skipping.
Residue ALA  313 is missing expected H atoms. Skipping.
Residue THR  315 is missing expected H atoms. Skipping.
Residue THR  319 is missing expected H atoms. Skipping.
Residue ILE  320 is missing expected H atoms. Skipping.
Residue VAL  321 is missing expected H atoms. Skipping.
Residue ILE  322 is missing expected H atoms. Skipping.
Residue VAL  324 is missing expected H atoms. Skipping.
Residue TYR  326 is missing expected H atoms. Skipping.
Residue SER  331 is missing expected H atoms. Skipping.
Residue LYS  334 is missing expected H atoms. Skipping.
Residue ILE  335 is missing expected H atoms. Skipping.
Residue ILE  339 is missing expected H atoms. Skipping.
Residue MET  340 is missing expected H atoms. Skipping.
Residue LEU  342 is missing expected H atoms. Skipping.
Residue LYS  344 is missing expected H atoms. Skipping.
Residue VAL  347 is missing expected H atoms. Skipping.
Residue LEU  348 is missing expected H atoms. Skipping.
Residue LEU  351 is missing expected H atoms. Skipping.
Residue ILE  352 is missing expected H atoms. Skipping.
Residue THR  353 is missing expected H atoms. Skipping.
Residue VAL  354 is missing expected H atoms. Skipping.
Residue ILE  357 is missing expected H atoms. Skipping.
Residue VAL  358 is missing expected H atoms. Skipping.
Residue THR  359 is missing expected H atoms. Skipping.
Residue LYS  361 is missing expected H atoms. Skipping.
Residue SER  363 is missing expected H atoms. Skipping.
Residue VAL  365 is missing expected H atoms. Skipping.
Residue ILE  367 is missing expected H atoms. Skipping.
Residue ALA  369 is missing expected H atoms. Skipping.
Residue SER  376 is missing expected H atoms. Skipping.
Residue TYR  377 is missing expected H atoms. Skipping.
Residue ILE  378 is missing expected H atoms. Skipping.
Residue ILE  379 is missing expected H atoms. Skipping.
Residue ILE  380 is missing expected H atoms. Skipping.
Residue VAL  382 is missing expected H atoms. Skipping.
Residue LEU  387 is missing expected H atoms. Skipping.
Residue LYS  388 is missing expected H atoms. Skipping.
Residue LEU  389 is missing expected H atoms. Skipping.
Residue LYS  393 is missing expected H atoms. Skipping.
Residue LYS  394 is missing expected H atoms. Skipping.
Residue SER  396 is missing expected H atoms. Skipping.
Residue SER  397 is missing expected H atoms. Skipping.
Residue ILE  398 is missing expected H atoms. Skipping.
Residue MET  401 is missing expected H atoms. Skipping.
Residue ILE  402 is missing expected H atoms. Skipping.
Residue THR  404 is missing expected H atoms. Skipping.
Residue THR  405 is missing expected H atoms. Skipping.
Residue MET  406 is missing expected H atoms. Skipping.
Residue ALA  409 is missing expected H atoms. Skipping.
Residue LYS  410 is missing expected H atoms. Skipping.
Residue MET  412 is missing expected H atoms. Skipping.
Residue ALA  413 is missing expected H atoms. Skipping.
Residue ILE  414 is missing expected H atoms. Skipping.
Residue LEU  415 is missing expected H atoms. Skipping.
Residue THR  418 is missing expected H atoms. Skipping.
Residue ALA  419 is missing expected H atoms. Skipping.
Residue SER  424 is missing expected H atoms. Skipping.
Residue LEU  425 is missing expected H atoms. Skipping.
Residue VAL  428 is missing expected H atoms. Skipping.
Residue THR  430 is missing expected H atoms. Skipping.
Residue SER  431 is missing expected H atoms. Skipping.
Residue ILE  432 is missing expected H atoms. Skipping.
Residue LYS  434 is missing expected H atoms. Skipping.
Residue ALA  435 is missing expected H atoms. Skipping.
Residue LEU  436 is missing expected H atoms. Skipping.
Residue VAL  439 is missing expected H atoms. Skipping.
Residue ALA  442 is missing expected H atoms. Skipping.
Residue ILE  443 is missing expected H atoms. Skipping.
Residue TYR  444 is missing expected H atoms. Skipping.
Residue ALA  446 is missing expected H atoms. Skipping.
Residue ALA  447 is missing expected H atoms. Skipping.
Residue SER  449 is missing expected H atoms. Skipping.
Residue VAL  451 is missing expected H atoms. Skipping.
Residue SER  452 is missing expected H atoms. Skipping.
Residue ILE  454 is missing expected H atoms. Skipping.
Residue MET  455 is missing expected H atoms. Skipping.
Residue LYS  456 is missing expected H atoms. Skipping.
Residue ILE  457 is missing expected H atoms. Skipping.
Residue LEU  458 is missing expected H atoms. Skipping.
Residue ILE  459 is missing expected H atoms. Skipping.
Residue VAL  461 is missing expected H atoms. Skipping.
Residue ILE  462 is missing expected H atoms. Skipping.
Residue ILE  463 is missing expected H atoms. Skipping.
Residue THR  464 is missing expected H atoms. Skipping.
Residue ILE  466 is missing expected H atoms. Skipping.
Residue MET  468 is missing expected H atoms. Skipping.
Residue SER  470 is missing expected H atoms. Skipping.
Residue SER  472 is missing expected H atoms. Skipping.
Residue THR  473 is missing expected H atoms. Skipping.
Residue SER  474 is missing expected H atoms. Skipping.
Residue LEU  475 is missing expected H atoms. Skipping.
Residue SER  476 is missing expected H atoms. Skipping.
Residue VAL  477 is missing expected H atoms. Skipping.
Residue SER  478 is missing expected H atoms. Skipping.
Residue LEU  479 is missing expected H atoms. Skipping.
Residue VAL  480 is missing expected H atoms. Skipping.
Residue LEU  481 is missing expected H atoms. Skipping.
Residue VAL  482 is missing expected H atoms. Skipping.
Residue VAL  484 is missing expected H atoms. Skipping.
Residue VAL  485 is missing expected H atoms. Skipping.
Residue THR  486 is missing expected H atoms. Skipping.
Residue LEU  487 is missing expected H atoms. Skipping.
Residue TYR  488 is missing expected H atoms. Skipping.
Residue LEU  489 is missing expected H atoms. Skipping.
Residue VAL  491 is missing expected H atoms. Skipping.
Residue MET  492 is missing expected H atoms. Skipping.
Residue VAL  493 is missing expected H atoms. Skipping.
Residue VAL    2 is missing expected H atoms. Skipping.
Residue ALA    3 is missing expected H atoms. Skipping.
Residue LEU    4 is missing expected H atoms. Skipping.
Residue VAL    5 is missing expected H atoms. Skipping.
Residue VAL    8 is missing expected H atoms. Skipping.
Residue MET   10 is missing expected H atoms. Skipping.
Residue LEU   12 is missing expected H atoms. Skipping.
Residue THR   14 is missing expected H atoms. Skipping.
Residue ALA   15 is missing expected H atoms. Skipping.
Residue THR   16 is missing expected H atoms. Skipping.
Residue THR   18 is missing expected H atoms. Skipping.
Residue MET   20 is missing expected H atoms. Skipping.
Residue SER   21 is missing expected H atoms. Skipping.
Residue SER   22 is missing expected H atoms. Skipping.
Residue ALA   25 is missing expected H atoms. Skipping.
Residue LYS   27 is missing expected H atoms. Skipping.
Residue ALA   29 is missing expected H atoms. Skipping.
Residue ILE   32 is missing expected H atoms. Skipping.
Residue THR   34 is missing expected H atoms. Skipping.
Residue ILE   36 is missing expected H atoms. Skipping.
Residue LEU   37 is missing expected H atoms. Skipping.
Residue THR   43 is missing expected H atoms. Skipping.
Residue ILE   44 is missing expected H atoms. Skipping.
Residue MET   45 is missing expected H atoms. Skipping.
Residue ALA   46 is missing expected H atoms. Skipping.
Residue ALA   47 is missing expected H atoms. Skipping.
Residue ILE   48 is missing expected H atoms. Skipping.
Residue LEU   49 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue TYR   51 is missing expected H atoms. Skipping.
Residue THR   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue THR   56 is missing expected H atoms. Skipping.
Residue ALA   61 is missing expected H atoms. Skipping.
Residue LEU   62 is missing expected H atoms. Skipping.
Residue ILE   63 is missing expected H atoms. Skipping.
Residue ILE   65 is missing expected H atoms. Skipping.
Residue LEU   66 is missing expected H atoms. Skipping.
Residue LEU   67 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue ALA   69 is missing expected H atoms. Skipping.
Residue VAL   70 is missing expected H atoms. Skipping.
Residue ALA   71 is missing expected H atoms. Skipping.
Residue ILE    4 is missing expected H atoms. Skipping.
Residue ILE    6 is missing expected H atoms. Skipping.
Residue SER    7 is missing expected H atoms. Skipping.
Residue VAL   12 is missing expected H atoms. Skipping.
Residue VAL   15 is missing expected H atoms. Skipping.
Residue SER   16 is missing expected H atoms. Skipping.
Residue SER   19 is missing expected H atoms. Skipping.
Residue VAL   21 is missing expected H atoms. Skipping.
Residue ILE   23 is missing expected H atoms. Skipping.
Residue VAL   24 is missing expected H atoms. Skipping.
Residue LEU   25 is missing expected H atoms. Skipping.
Residue SER   29 is missing expected H atoms. Skipping.
Residue VAL   31 is missing expected H atoms. Skipping.
Residue THR   32 is missing expected H atoms. Skipping.
Residue THR   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   35 is missing expected H atoms. Skipping.
Residue LYS   36 is missing expected H atoms. Skipping.
Residue LYS   38 is missing expected H atoms. Skipping.
Residue THR   40 is missing expected H atoms. Skipping.
Residue LEU   41 is missing expected H atoms. Skipping.
Residue LEU   45 is missing expected H atoms. Skipping.
Residue ILE   46 is missing expected H atoms. Skipping.
Residue THR   48 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue LYS   51 is missing expected H atoms. Skipping.
Residue ALA   54 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue LEU   56 is missing expected H atoms. Skipping.
Residue LYS   58 is missing expected H atoms. Skipping.
Residue TYR   59 is missing expected H atoms. Skipping.
Residue ILE   61 is missing expected H atoms. Skipping.
Residue ALA   63 is missing expected H atoms. Skipping.
Residue LYS   64 is missing expected H atoms. Skipping.
Residue LEU   65 is missing expected H atoms. Skipping.
Residue THR   66 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue THR   69 is missing expected H atoms. Skipping.
Residue THR   70 is missing expected H atoms. Skipping.
Residue SER   72 is missing expected H atoms. Skipping.
Residue THR   76 is missing expected H atoms. Skipping.
Residue SER   81 is missing expected H atoms. Skipping.
Residue LEU   82 is missing expected H atoms. Skipping.
Residue LYS   88 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue LYS   93 is missing expected H atoms. Skipping.
Residue SER   95 is missing expected H atoms. Skipping.
Residue MET   96 is missing expected H atoms. Skipping.
Residue VAL   97 is missing expected H atoms. Skipping.
Residue LEU  107 is missing expected H atoms. Skipping.
Residue LYS  110 is missing expected H atoms. Skipping.
Residue ILE  113 is missing expected H atoms. Skipping.
Residue VAL  114 is missing expected H atoms. Skipping.
Residue THR  115 is missing expected H atoms. Skipping.
Residue ALA  117 is missing expected H atoms. Skipping.
Residue MET  118 is missing expected H atoms. Skipping.
Residue THR  120 is missing expected H atoms. Skipping.
Residue LYS  122 is missing expected H atoms. Skipping.
Residue LYS  123 is missing expected H atoms. Skipping.
Residue MET  125 is missing expected H atoms. Skipping.
Residue LYS  126 is missing expected H atoms. Skipping.
Residue LYS  128 is missing expected H atoms. Skipping.
Residue VAL  129 is missing expected H atoms. Skipping.
Residue VAL  130 is missing expected H atoms. Skipping.
Residue LEU  135 is missing expected H atoms. Skipping.
Residue TYR  137 is missing expected H atoms. Skipping.
Residue THR  138 is missing expected H atoms. Skipping.
Residue ILE  139 is missing expected H atoms. Skipping.
Residue VAL  140 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue THR  142 is missing expected H atoms. Skipping.
Residue SER  145 is missing expected H atoms. Skipping.
Residue ALA  150 is missing expected H atoms. Skipping.
Residue VAL  151 is missing expected H atoms. Skipping.
Residue THR  155 is missing expected H atoms. Skipping.
Residue LYS  157 is missing expected H atoms. Skipping.
Residue LYS  160 is missing expected H atoms. Skipping.
Residue ILE  162 is missing expected H atoms. Skipping.
Residue LYS  163 is missing expected H atoms. Skipping.
Residue ILE  164 is missing expected H atoms. Skipping.
Residue THR  165 is missing expected H atoms. Skipping.
Residue SER  168 is missing expected H atoms. Skipping.
Residue SER  169 is missing expected H atoms. Skipping.
Residue ILE  170 is missing expected H atoms. Skipping.
Residue THR  171 is missing expected H atoms. Skipping.
Residue ALA  173 is missing expected H atoms. Skipping.
Residue LEU  175 is missing expected H atoms. Skipping.
Residue THR  176 is missing expected H atoms. Skipping.
Residue TYR  178 is missing expected H atoms. Skipping.
Residue THR  180 is missing expected H atoms. Skipping.
Residue VAL  181 is missing expected H atoms. Skipping.
Residue THR  182 is missing expected H atoms. Skipping.
Residue MET  183 is missing expected H atoms. Skipping.
Residue SER  186 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue LEU  191 is missing expected H atoms. Skipping.
Residue MET  196 is missing expected H atoms. Skipping.
Residue VAL  197 is missing expected H atoms. Skipping.
Residue LEU  198 is missing expected H atoms. Skipping.
Residue LEU  199 is missing expected H atoms. Skipping.
Residue MET  201 is missing expected H atoms. Skipping.
Residue LYS  204 is missing expected H atoms. Skipping.
Residue ALA  205 is missing expected H atoms. Skipping.
Residue LEU  207 is missing expected H atoms. Skipping.
Residue VAL  208 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue LEU  216 is missing expected H atoms. Skipping.
Residue LEU  218 is missing expected H atoms. Skipping.
Residue LEU  221 is missing expected H atoms. Skipping.
Residue ALA  224 is missing expected H atoms. Skipping.
Residue THR  226 is missing expected H atoms. Skipping.
Residue SER  229 is missing expected H atoms. Skipping.
Residue ILE  232 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue THR  236 is missing expected H atoms. Skipping.
Residue LEU  237 is missing expected H atoms. Skipping.
Residue VAL  238 is missing expected H atoms. Skipping.
Residue THR  239 is missing expected H atoms. Skipping.
Residue LYS  241 is missing expected H atoms. Skipping.
Residue ALA  245 is missing expected H atoms. Skipping.
Residue LYS  246 is missing expected H atoms. Skipping.
Residue LYS  247 is missing expected H atoms. Skipping.
Residue VAL  250 is missing expected H atoms. Skipping.
Residue VAL  251 is missing expected H atoms. Skipping.
Residue VAL  252 is missing expected H atoms. Skipping.
Residue LEU  253 is missing expected H atoms. Skipping.
Residue SER  255 is missing expected H atoms. Skipping.
Residue ALA  259 is missing expected H atoms. Skipping.
Residue MET  260 is missing expected H atoms. Skipping.
Residue THR  262 is missing expected H atoms. Skipping.
Residue ALA  263 is missing expected H atoms. Skipping.
Residue LEU  264 is missing expected H atoms. Skipping.
Residue THR  265 is missing expected H atoms. Skipping.
Residue ALA  267 is missing expected H atoms. Skipping.
Residue THR  268 is missing expected H atoms. Skipping.
Residue ILE  270 is missing expected H atoms. Skipping.
Residue MET  272 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue SER  274 is missing expected H atoms. Skipping.
Residue LEU  277 is missing expected H atoms. Skipping.
Residue LEU  278 is missing expected H atoms. Skipping.
Residue THR  280 is missing expected H atoms. Skipping.
Residue LEU  283 is missing expected H atoms. Skipping.
Residue LYS  284 is missing expected H atoms. Skipping.
Residue LEU  287 is missing expected H atoms. Skipping.
Residue MET  289 is missing expected H atoms. Skipping.
Residue LYS  291 is missing expected H atoms. Skipping.
Residue LEU  292 is missing expected H atoms. Skipping.
Residue LEU  294 is missing expected H atoms. Skipping.
Residue LYS  295 is missing expected H atoms. Skipping.
Residue MET  297 is missing expected H atoms. Skipping.
Residue SER  298 is missing expected H atoms. Skipping.
Residue TYR  299 is missing expected H atoms. Skipping.
Residue SER  300 is missing expected H atoms. Skipping.
Residue MET  301 is missing expected H atoms. Skipping.
Residue THR  303 is missing expected H atoms. Skipping.
Residue LYS  305 is missing expected H atoms. Skipping.
Residue LYS  307 is missing expected H atoms. Skipping.
Residue VAL  308 is missing expected H atoms. Skipping.
Residue VAL  309 is missing expected H atoms. Skipping.
Residue LYS  310 is missing expected H atoms. Skipping.
Residue ILE  312 is missing expected H atoms. Skipping.
Residue ALA  313 is missing expected H atoms. Skipping.
Residue THR  315 is missing expected H atoms. Skipping.
Residue THR  319 is missing expected H atoms. Skipping.
Residue ILE  320 is missing expected H atoms. Skipping.
Residue VAL  321 is missing expected H atoms. Skipping.
Residue ILE  322 is missing expected H atoms. Skipping.
Residue VAL  324 is missing expected H atoms. Skipping.
Residue TYR  326 is missing expected H atoms. Skipping.
Residue SER  331 is missing expected H atoms. Skipping.
Residue LYS  334 is missing expected H atoms. Skipping.
Residue ILE  335 is missing expected H atoms. Skipping.
Residue ILE  339 is missing expected H atoms. Skipping.
Residue MET  340 is missing expected H atoms. Skipping.
Residue LEU  342 is missing expected H atoms. Skipping.
Residue LYS  344 is missing expected H atoms. Skipping.
Residue VAL  347 is missing expected H atoms. Skipping.
Residue LEU  348 is missing expected H atoms. Skipping.
Residue LEU  351 is missing expected H atoms. Skipping.
Residue ILE  352 is missing expected H atoms. Skipping.
Residue THR  353 is missing expected H atoms. Skipping.
Residue VAL  354 is missing expected H atoms. Skipping.
Residue ILE  357 is missing expected H atoms. Skipping.
Residue VAL  358 is missing expected H atoms. Skipping.
Residue THR  359 is missing expected H atoms. Skipping.
Residue LYS  361 is missing expected H atoms. Skipping.
Residue SER  363 is missing expected H atoms. Skipping.
Residue VAL  365 is missing expected H atoms. Skipping.
Residue ILE  367 is missing expected H atoms. Skipping.
Residue ALA  369 is missing expected H atoms. Skipping.
Residue SER  376 is missing expected H atoms. Skipping.
Residue TYR  377 is missing expected H atoms. Skipping.
Residue ILE  378 is missing expected H atoms. Skipping.
Residue ILE  379 is missing expected H atoms. Skipping.
Residue ILE  380 is missing expected H atoms. Skipping.
Residue VAL  382 is missing expected H atoms. Skipping.
Residue LEU  387 is missing expected H atoms. Skipping.
Residue LYS  388 is missing expected H atoms. Skipping.
Residue LEU  389 is missing expected H atoms. Skipping.
Residue LYS  393 is missing expected H atoms. Skipping.
Residue LYS  394 is missing expected H atoms. Skipping.
Residue SER  396 is missing expected H atoms. Skipping.
Residue SER  397 is missing expected H atoms. Skipping.
Residue ILE  398 is missing expected H atoms. Skipping.
Residue MET  401 is missing expected H atoms. Skipping.
Residue ILE  402 is missing expected H atoms. Skipping.
Residue THR  404 is missing expected H atoms. Skipping.
Residue THR  405 is missing expected H atoms. Skipping.
Residue MET  406 is missing expected H atoms. Skipping.
Residue ALA  409 is missing expected H atoms. Skipping.
Residue LYS  410 is missing expected H atoms. Skipping.
Residue MET  412 is missing expected H atoms. Skipping.
Residue ALA  413 is missing expected H atoms. Skipping.
Residue ILE  414 is missing expected H atoms. Skipping.
Residue LEU  415 is missing expected H atoms. Skipping.
Residue THR  418 is missing expected H atoms. Skipping.
Residue ALA  419 is missing expected H atoms. Skipping.
Residue SER  424 is missing expected H atoms. Skipping.
Residue LEU  425 is missing expected H atoms. Skipping.
Residue VAL  428 is missing expected H atoms. Skipping.
Residue THR  430 is missing expected H atoms. Skipping.
Residue SER  431 is missing expected H atoms. Skipping.
Residue ILE  432 is missing expected H atoms. Skipping.
Residue LYS  434 is missing expected H atoms. Skipping.
Residue ALA  435 is missing expected H atoms. Skipping.
Residue LEU  436 is missing expected H atoms. Skipping.
Residue VAL  439 is missing expected H atoms. Skipping.
Residue ALA  442 is missing expected H atoms. Skipping.
Residue ILE  443 is missing expected H atoms. Skipping.
Residue TYR  444 is missing expected H atoms. Skipping.
Residue ALA  446 is missing expected H atoms. Skipping.
Residue ALA  447 is missing expected H atoms. Skipping.
Residue SER  449 is missing expected H atoms. Skipping.
Residue VAL  451 is missing expected H atoms. Skipping.
Residue SER  452 is missing expected H atoms. Skipping.
Residue ILE  454 is missing expected H atoms. Skipping.
Residue MET  455 is missing expected H atoms. Skipping.
Residue LYS  456 is missing expected H atoms. Skipping.
Residue ILE  457 is missing expected H atoms. Skipping.
Residue LEU  458 is missing expected H atoms. Skipping.
Residue ILE  459 is missing expected H atoms. Skipping.
Residue VAL  461 is missing expected H atoms. Skipping.
Residue ILE  462 is missing expected H atoms. Skipping.
Residue ILE  463 is missing expected H atoms. Skipping.
Residue THR  464 is missing expected H atoms. Skipping.
Residue ILE  466 is missing expected H atoms. Skipping.
Residue MET  468 is missing expected H atoms. Skipping.
Residue SER  470 is missing expected H atoms. Skipping.
Residue SER  472 is missing expected H atoms. Skipping.
Residue THR  473 is missing expected H atoms. Skipping.
Residue SER  474 is missing expected H atoms. Skipping.
Residue LEU  475 is missing expected H atoms. Skipping.
Residue SER  476 is missing expected H atoms. Skipping.
Residue VAL  477 is missing expected H atoms. Skipping.
Residue SER  478 is missing expected H atoms. Skipping.
Residue LEU  479 is missing expected H atoms. Skipping.
Residue VAL  480 is missing expected H atoms. Skipping.
Residue LEU  481 is missing expected H atoms. Skipping.
Residue VAL  482 is missing expected H atoms. Skipping.
Residue VAL  484 is missing expected H atoms. Skipping.
Residue VAL  485 is missing expected H atoms. Skipping.
Residue THR  486 is missing expected H atoms. Skipping.
Residue LEU  487 is missing expected H atoms. Skipping.
Residue TYR  488 is missing expected H atoms. Skipping.
Residue LEU  489 is missing expected H atoms. Skipping.
Residue VAL  491 is missing expected H atoms. Skipping.
Residue MET  492 is missing expected H atoms. Skipping.
Residue VAL  493 is missing expected H atoms. Skipping.
Residue VAL    2 is missing expected H atoms. Skipping.
Residue ALA    3 is missing expected H atoms. Skipping.
Residue LEU    4 is missing expected H atoms. Skipping.
Residue VAL    5 is missing expected H atoms. Skipping.
Residue VAL    8 is missing expected H atoms. Skipping.
Residue MET   10 is missing expected H atoms. Skipping.
Residue LEU   12 is missing expected H atoms. Skipping.
Residue THR   14 is missing expected H atoms. Skipping.
Residue ALA   15 is missing expected H atoms. Skipping.
Residue THR   16 is missing expected H atoms. Skipping.
Residue THR   18 is missing expected H atoms. Skipping.
Residue MET   20 is missing expected H atoms. Skipping.
Residue SER   21 is missing expected H atoms. Skipping.
Residue SER   22 is missing expected H atoms. Skipping.
Residue ALA   25 is missing expected H atoms. Skipping.
Residue LYS   27 is missing expected H atoms. Skipping.
Residue ALA   29 is missing expected H atoms. Skipping.
Residue ILE   32 is missing expected H atoms. Skipping.
Residue THR   34 is missing expected H atoms. Skipping.
Residue ILE   36 is missing expected H atoms. Skipping.
Residue LEU   37 is missing expected H atoms. Skipping.
Residue THR   43 is missing expected H atoms. Skipping.
Residue ILE   44 is missing expected H atoms. Skipping.
Residue MET   45 is missing expected H atoms. Skipping.
Residue ALA   46 is missing expected H atoms. Skipping.
Residue ALA   47 is missing expected H atoms. Skipping.
Residue ILE   48 is missing expected H atoms. Skipping.
Residue LEU   49 is missing expected H atoms. Skipping.
Residue ALA   50 is missing expected H atoms. Skipping.
Residue TYR   51 is missing expected H atoms. Skipping.
Residue THR   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   55 is missing expected H atoms. Skipping.
Residue THR   56 is missing expected H atoms. Skipping.
Residue ALA   61 is missing expected H atoms. Skipping.
Residue LEU   62 is missing expected H atoms. Skipping.
Residue ILE   63 is missing expected H atoms. Skipping.
Residue ILE   65 is missing expected H atoms. Skipping.
Residue LEU   66 is missing expected H atoms. Skipping.
Residue LEU   67 is missing expected H atoms. Skipping.
Residue THR   68 is missing expected H atoms. Skipping.
Residue ALA   69 is missing expected H atoms. Skipping.
Residue VAL   70 is missing expected H atoms. Skipping.
Residue ALA   71 is missing expected H atoms. Skipping.
Evaluate side-chains
  372 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 122
    poor density    : 250
  time to evaluate  : 1.052 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
REVERT: A   81 SER cc_start: 0.7853 (t) cc_final: 0.7626 (p)
REVERT: A   99 ARG cc_start: 0.7182 (mtp180) cc_final: 0.6922 (ttp-170)
REVERT: A  125 MET cc_start: 0.7117 (OUTLIER) cc_final: 0.5191 (pmt)
REVERT: A  135 LEU cc_start: 0.8422 (OUTLIER) cc_final: 0.7993 (tm)
REVERT: A  157 LYS cc_start: 0.7711 (OUTLIER) cc_final: 0.7414 (ptmt)
REVERT: A  247 LYS cc_start: 0.7664 (OUTLIER) cc_final: 0.6988 (mmtt)
REVERT: A  260 MET cc_start: 0.6822 (tpt) cc_final: 0.6571 (tpt)
REVERT: A  277 LEU cc_start: 0.8550 (OUTLIER) cc_final: 0.8115 (pt)
REVERT: A  400 GLN cc_start: 0.8460 (tp40) cc_final: 0.8238 (tp40)
REVERT: A  422 PHE cc_start: 0.7150 (OUTLIER) cc_final: 0.5832 (t80)
REVERT: A  444 TYR cc_start: 0.6178 (OUTLIER) cc_final: 0.5171 (m-80)
REVERT: B   27 LYS cc_start: 0.6974 (ttpp) cc_final: 0.6609 (tppt)
REVERT: B   31 ARG cc_start: 0.7688 (ppt-90) cc_final: 0.7262 (ttp80)
REVERT: C   64 LYS cc_start: 0.6443 (OUTLIER) cc_final: 0.5977 (ptmt)
REVERT: C  128 LYS cc_start: 0.7756 (OUTLIER) cc_final: 0.7502 (mmtp)
REVERT: C  149 HIS cc_start: 0.5092 (OUTLIER) cc_final: 0.4383 (p-80)
REVERT: C  157 LYS cc_start: 0.7818 (OUTLIER) cc_final: 0.7546 (ptmt)
REVERT: C  204 LYS cc_start: 0.7853 (OUTLIER) cc_final: 0.7357 (ptpp)
REVERT: C  247 LYS cc_start: 0.7890 (OUTLIER) cc_final: 0.7320 (mmmt)
REVERT: C  269 GLU cc_start: 0.8390 (tt0) cc_final: 0.8008 (pm20)
REVERT: C  323 ARG cc_start: 0.7492 (OUTLIER) cc_final: 0.7207 (tpp-160)
REVERT: C  344 LYS cc_start: 0.4749 (mmtt) cc_final: 0.4034 (mtmm)
REVERT: C  351 LEU cc_start: 0.8232 (OUTLIER) cc_final: 0.7996 (tm)
REVERT: C  402 ILE cc_start: 0.7767 (OUTLIER) cc_final: 0.7293 (mm)
REVERT: C  434 LYS cc_start: 0.7150 (OUTLIER) cc_final: 0.6895 (ttpp)
REVERT: C  488 TYR cc_start: 0.7003 (t80) cc_final: 0.6182 (t80)
REVERT: C  492 MET cc_start: 0.7396 (tpp) cc_final: 0.6955 (tpp)
REVERT: D   26 TRP cc_start: 0.6479 (OUTLIER) cc_final: 0.6067 (m100)
  outliers start: 122
  outliers final: 99
  residues processed: 328
  average time/residue: 0.2358
  time to fit residues: 106.6384
Evaluate side-chains
  365 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 117
    poor density    : 248
  time to evaluate  : 1.083 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue    1 MET
Chi-restraints excluded: chain A residue    3 CYS
Chi-restraints excluded: chain A residue   10 ASP
Chi-restraints excluded: chain A residue   20 TRP
Chi-restraints excluded: chain A residue   22 ASP
Chi-restraints excluded: chain A residue   23 ILE
Chi-restraints excluded: chain A residue   25 LEU
Chi-restraints excluded: chain A residue   45 LEU
Chi-restraints excluded: chain A residue   58 LYS
Chi-restraints excluded: chain A residue   61 ILE
Chi-restraints excluded: chain A residue   65 LEU
Chi-restraints excluded: chain A residue   69 THR
Chi-restraints excluded: chain A residue   95 SER
Chi-restraints excluded: chain A residue  107 LEU
Chi-restraints excluded: chain A residue  113 ILE
Chi-restraints excluded: chain A residue  118 MET
Chi-restraints excluded: chain A residue  125 MET
Chi-restraints excluded: chain A residue  129 VAL
Chi-restraints excluded: chain A residue  135 LEU
Chi-restraints excluded: chain A residue  141 ILE
Chi-restraints excluded: chain A residue  157 LYS
Chi-restraints excluded: chain A residue  158 HIS
Chi-restraints excluded: chain A residue  162 ILE
Chi-restraints excluded: chain A residue  164 ILE
Chi-restraints excluded: chain A residue  170 ILE
Chi-restraints excluded: chain A residue  174 GLU
Chi-restraints excluded: chain A residue  175 LEU
Chi-restraints excluded: chain A residue  196 MET
Chi-restraints excluded: chain A residue  207 LEU
Chi-restraints excluded: chain A residue  240 PHE
Chi-restraints excluded: chain A residue  244 HIS
Chi-restraints excluded: chain A residue  247 LYS
Chi-restraints excluded: chain A residue  277 LEU
Chi-restraints excluded: chain A residue  280 THR
Chi-restraints excluded: chain A residue  283 LEU
Chi-restraints excluded: chain A residue  302 CYS
Chi-restraints excluded: chain A residue  308 VAL
Chi-restraints excluded: chain A residue  312 ILE
Chi-restraints excluded: chain A residue  324 VAL
Chi-restraints excluded: chain A residue  340 MET
Chi-restraints excluded: chain A residue  348 LEU
Chi-restraints excluded: chain A residue  351 LEU
Chi-restraints excluded: chain A residue  422 PHE
Chi-restraints excluded: chain A residue  432 ILE
Chi-restraints excluded: chain A residue  444 TYR
Chi-restraints excluded: chain A residue  448 PHE
Chi-restraints excluded: chain A residue  457 ILE
Chi-restraints excluded: chain A residue  466 ILE
Chi-restraints excluded: chain A residue  480 VAL
Chi-restraints excluded: chain B residue   16 THR
Chi-restraints excluded: chain B residue   32 ILE
Chi-restraints excluded: chain B residue   36 ILE
Chi-restraints excluded: chain B residue   37 LEU
Chi-restraints excluded: chain B residue   44 ILE
Chi-restraints excluded: chain C residue    3 CYS
Chi-restraints excluded: chain C residue   10 ASP
Chi-restraints excluded: chain C residue   20 TRP
Chi-restraints excluded: chain C residue   23 ILE
Chi-restraints excluded: chain C residue   25 LEU
Chi-restraints excluded: chain C residue   38 LYS
Chi-restraints excluded: chain C residue   45 LEU
Chi-restraints excluded: chain C residue   48 THR
Chi-restraints excluded: chain C residue   58 LYS
Chi-restraints excluded: chain C residue   61 ILE
Chi-restraints excluded: chain C residue   64 LYS
Chi-restraints excluded: chain C residue   65 LEU
Chi-restraints excluded: chain C residue   69 THR
Chi-restraints excluded: chain C residue   84 GLU
Chi-restraints excluded: chain C residue  107 LEU
Chi-restraints excluded: chain C residue  122 LYS
Chi-restraints excluded: chain C residue  126 LYS
Chi-restraints excluded: chain C residue  128 LYS
Chi-restraints excluded: chain C residue  129 VAL
Chi-restraints excluded: chain C residue  135 LEU
Chi-restraints excluded: chain C residue  141 ILE
Chi-restraints excluded: chain C residue  149 HIS
Chi-restraints excluded: chain C residue  157 LYS
Chi-restraints excluded: chain C residue  162 ILE
Chi-restraints excluded: chain C residue  164 ILE
Chi-restraints excluded: chain C residue  180 THR
Chi-restraints excluded: chain C residue  181 VAL
Chi-restraints excluded: chain C residue  196 MET
Chi-restraints excluded: chain C residue  204 LYS
Chi-restraints excluded: chain C residue  240 PHE
Chi-restraints excluded: chain C residue  244 HIS
Chi-restraints excluded: chain C residue  247 LYS
Chi-restraints excluded: chain C residue  278 LEU
Chi-restraints excluded: chain C residue  280 THR
Chi-restraints excluded: chain C residue  283 LEU
Chi-restraints excluded: chain C residue  287 LEU
Chi-restraints excluded: chain C residue  294 LEU
Chi-restraints excluded: chain C residue  299 TYR
Chi-restraints excluded: chain C residue  302 CYS
Chi-restraints excluded: chain C residue  303 THR
Chi-restraints excluded: chain C residue  312 ILE
Chi-restraints excluded: chain C residue  323 ARG
Chi-restraints excluded: chain C residue  324 VAL
Chi-restraints excluded: chain C residue  335 ILE
Chi-restraints excluded: chain C residue  351 LEU
Chi-restraints excluded: chain C residue  365 VAL
Chi-restraints excluded: chain C residue  366 ASN
Chi-restraints excluded: chain C residue  389 LEU
Chi-restraints excluded: chain C residue  402 ILE
Chi-restraints excluded: chain C residue  422 PHE
Chi-restraints excluded: chain C residue  432 ILE
Chi-restraints excluded: chain C residue  434 LYS
Chi-restraints excluded: chain C residue  454 ILE
Chi-restraints excluded: chain C residue  457 ILE
Chi-restraints excluded: chain C residue  466 ILE
Chi-restraints excluded: chain C residue  481 LEU
Chi-restraints excluded: chain D residue   26 TRP
Chi-restraints excluded: chain D residue   36 ILE
Chi-restraints excluded: chain D residue   37 LEU
Chi-restraints excluded: chain D residue   44 ILE
Chi-restraints excluded: chain D residue   52 THR
Chi-restraints excluded: chain D residue   59 GLN
Chi-restraints excluded: chain D residue   63 ILE
Rotamers are restrained with sigma=1.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 112
   random chunks:
   chunk 69 optimal weight:    0.9990
   chunk 14 optimal weight:    5.9990
   chunk 89 optimal weight:   30.0000
   chunk 46 optimal weight:   10.0000
   chunk 105 optimal weight:    8.9990
   chunk 77 optimal weight:    9.9990
   chunk 71 optimal weight:   50.0000
   chunk 92 optimal weight:    4.9990
   chunk 2 optimal weight:   10.0000
   chunk 100 optimal weight:    7.9990
   chunk 41 optimal weight:   20.0000
   overall best weight:    5.7990

-------------------------------------------------------------------------------
NQH flips
*********
Analyzing N/Q/H residues for possible flip corrections...

Flipped N/Q/H residues before XYZ refinement:
** A  27 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
A 203 ASN
** A 271 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
** A 355 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** B   7 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** B  59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
** C  27 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
C 149 HIS
** C 158 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
C 203 ASN
** C 355 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** D   7 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** D  59 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**

Total number of N/Q/H flips: 3

-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.3776 r_free = 0.3776 target = 0.149362 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 35)----------------|
| r_work = 0.3649 r_free = 0.3649 target = 0.138913 restraints weight = 21487.658|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 33)----------------|
| r_work = 0.3681 r_free = 0.3681 target = 0.141594 restraints weight = 10957.505|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 33)----------------|
| r_work = 0.3701 r_free = 0.3701 target = 0.143373 restraints weight = 6549.077|
|-----------------------------------------------------------------------------|
r_work (final): 0.3707
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7284
moved from start:          0.5670

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.003   0.041   8986  Z= 0.218
  Angle     :  0.734   9.916  12164  Z= 0.372
  Chirality :  0.043   0.177   1412
  Planarity :  0.005   0.040   1520
  Dihedral  : 11.062  85.111   1465
  Min Nonbonded Distance : 2.152

Molprobity Statistics.
  All-atom Clashscore : 72.07
  Ramachandran Plot:
    Outliers :  3.73 %
    Allowed  : 21.94 %
    Favored  : 74.33 %
  Rotamer:
    Outliers : 12.68 %
    Allowed  : 31.76 %
    Favored  : 55.56 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.18 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole: -4.52 (0.22), residues: 1126
  helix: -1.49 (0.26), residues: 306
  sheet: -1.77 (0.34), residues: 252
  loop : -4.67 (0.20), residues: 568

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.021   0.002   TRP A 391 
 HIS   0.006   0.001   HIS C 149 
 PHE   0.019   0.002   PHE C  43 
 TYR   0.014   0.002   TYR A 137 
 ARG   0.003   0.000   ARG B  31 

===============================================================================
Job complete
usr+sys time: 3218.92 seconds
wall clock time: 58 minutes 36.92 seconds (3516.92 seconds total)