Starting phenix.real_space_refine
on Wed Sep 17 17:39:22 2025 by dcliebschner
===============================================================================

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

  Found model, /net/cci-nas-00/data/ceres_data/3j2p_5499/09_2025/3j2p_5499.cif
  Found real_map, /net/cci-nas-00/data/ceres_data/3j2p_5499/09_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_5499/09_2025/3j2p_5499.map"
    default_real_map = "/net/cci-nas-00/data/ceres_data/3j2p_5499/09_2025/3j2p_5499.map"
    model {
      file = "/net/cci-nas-00/data/ceres_data/3j2p_5499/09_2025/3j2p_5499.cif"
    }
    default_model = "/net/cci-nas-00/data/ceres_data/3j2p_5499/09_2025/3j2p_5499.cif"
  }
  resolution = 3.6
  write_initial_geo_file = False
  refinement {
    macro_cycles = 10
  }


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): 0.01s

  Monomer Library directory:
    "/net/cci-filer3/home/dcliebschner/04_cryoem/Phenix-2.0-5805/lib/python3.9/site-packages/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: 3.53, per 1000 atoms: 0.36
  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: 0.93
  Conformation dependent library (CDL) restraints added in 278.0 milliseconds
  
  Enol-peptide restraints added in 238.4 nanoseconds
  

  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: 0.31
  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: 1.51

  Time building geometry restraints manager: 1.20 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: 0.02
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:                         0.000
  Set model cs if undefined:               0.000
  Decide on map wrapping:                  0.000
  Normalize map: mean=0, sd=1:             0.120
  Set stop_for_unknowns flag:              0.000
  Assert model is a single copy model:     0.000
  Assert all atoms have isotropic ADPs:    0.010
  Construct map_model_manager:             0.050
  Extract box with map and model:          0.090
  Check model and map are aligned:         0.020
  Set scattering table:                    0.020
  Process input model:                     11.470
  Find NCS groups from input model:        0.070
  Set up NCS constraints:                  0.020
  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:1.140
  Set ADP refinement strategy:             0.000
  Make a string to write initial .geo file:0.000
  Internal consistency checks:             0.000
  Total:   13.010
-------------------------------------------------------------------------------
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   8992  Z= 0.576
  Angle     :  1.928  13.972  12182  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 : 110.37
  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 values with (uncertainties):
Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores below are scaled independently, so they aren not related in a simple way.
  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
 ARG   0.007   0.001   ARG B  31 
 TYR   0.060   0.013   TYR C 326 
 PHE   0.063   0.011   PHE A 119 
 TRP   0.074   0.014   TRP C 220 
 HIS   0.005   0.001   HIS C  27 

Details of bonding type rmsd
  covalent geometry    : bond        0.00952 ( 8986)
  covalent geometry    : angle       1.92406 (12164)
  hydrogen bonds       : bond        0.14780 (  320)
  hydrogen bonds       : angle      12.32823 (  843)
  link_BETA1-4         : bond        0.05191 (    2)
  link_BETA1-4         : angle       6.14654 (    6)
  link_NAG-ASN         : bond        0.01376 (    4)
  link_NAG-ASN         : angle       1.51111 (   12)

*********************** 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  : 0.347 
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: 0.0931
  time to fit residues: 59.8194
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  : 0.365 
-------------------------------------------------------------------------------
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 108 optimal weight:   10.0000
   chunk 49 optimal weight:    7.9990
   chunk 97 optimal weight:    6.9990
   chunk 53 optimal weight:    6.9990
   chunk 5 optimal weight:    9.9990
   chunk 33 optimal weight:    9.9990
   chunk 65 optimal weight:    8.9990
   chunk 62 optimal weight:   20.0000
   chunk 51 optimal weight:    8.9990
   chunk 100 optimal weight:    9.9990
   chunk 106 optimal weight:    9.9990
   overall best weight:    7.9990

-------------------------------------------------------------------------------
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 = 0.3686 r_free = 0.3686 target = 0.142243 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 41)----------------|
| r_work = 0.3562 r_free = 0.3562 target = 0.132350 restraints weight = 21195.343|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 31)----------------|
| r_work = 0.3593 r_free = 0.3593 target = 0.134898 restraints weight = 10582.263|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 36)----------------|
| r_work = 0.3615 r_free = 0.3615 target = 0.136632 restraints weight = 6223.838|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 4; iterations = 40)----------------|
| r_work = 0.3630 r_free = 0.3630 target = 0.137788 restraints weight = 4090.101|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 5; iterations = 30)----------------|
| r_work = 0.3639 r_free = 0.3639 target = 0.138549 restraints weight = 2922.553|
|-----------------------------------------------------------------------------|
r_work (final): 0.3624
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7395
moved from start:          0.2983

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.005   0.047   8992  Z= 0.230
  Angle     :  1.083  13.398  12182  Z= 0.548
  Chirality :  0.053   0.184   1412
  Planarity :  0.007   0.055   1520
  Dihedral  : 15.707  90.480   1663
  Min Nonbonded Distance : 2.199

Molprobity Statistics.
  All-atom Clashscore : 78.94
  Ramachandran Plot:
    Outliers :  5.24 %
    Allowed  : 29.40 %
    Favored  : 65.36 %
  Rotamer:
    Outliers : 18.24 %
    Allowed  : 22.01 %
    Favored  : 59.75 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z values with (uncertainties):
Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores below are scaled independently, so they aren not related in a simple way.
  whole: -7.01 (0.17), residues: 1126
  helix: -4.39 (0.17), residues: 300
  sheet: -3.23 (0.30), residues: 252
  loop : -5.68 (0.16), residues: 574

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 ARG   0.004   0.001   ARG C 345 
 TYR   0.022   0.002   TYR A 444 
 PHE   0.024   0.002   PHE A 373 
 TRP   0.021   0.002   TRP C 220 
 HIS   0.008   0.002   HIS C 282 

Details of bonding type rmsd
  covalent geometry    : bond        0.00483 ( 8986)
  covalent geometry    : angle       1.06589 (12164)
  hydrogen bonds       : bond        0.06131 (  320)
  hydrogen bonds       : angle       8.65264 (  843)
  link_BETA1-4         : bond        0.00396 (    2)
  link_BETA1-4         : angle       2.05899 (    6)
  link_NAG-ASN         : bond        0.00411 (    4)
  link_NAG-ASN         : angle       6.00412 (   12)

*********************** 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
  453 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 174
    poor density    : 279
  time to evaluate  : 0.356 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
REVERT: A  122 LYS cc_start: 0.8322 (OUTLIER) cc_final: 0.7894 (mtmt)
REVERT: A  135 LEU cc_start: 0.8772 (OUTLIER) cc_final: 0.8399 (tm)
REVERT: A  157 LYS cc_start: 0.7895 (OUTLIER) cc_final: 0.7381 (ptmt)
REVERT: A  161 GLU cc_start: 0.7853 (mt-10) cc_final: 0.7597 (pm20)
REVERT: A  247 LYS cc_start: 0.7978 (OUTLIER) cc_final: 0.7521 (mmmt)
REVERT: A  277 LEU cc_start: 0.8807 (OUTLIER) cc_final: 0.8107 (pt)
REVERT: A  301 MET cc_start: 0.6692 (mtt) cc_final: 0.6304 (mtt)
REVERT: A  314 GLU cc_start: 0.7922 (pt0) cc_final: 0.7201 (tt0)
REVERT: A  402 ILE cc_start: 0.7843 (OUTLIER) cc_final: 0.7357 (mm)
REVERT: A  406 MET cc_start: 0.7255 (OUTLIER) cc_final: 0.6944 (mtt)
REVERT: A  420 TRP cc_start: 0.7813 (m100) cc_final: 0.7610 (m100)
REVERT: A  422 PHE cc_start: 0.7227 (OUTLIER) cc_final: 0.5603 (t80)
REVERT: A  443 ILE cc_start: 0.7940 (tp) cc_final: 0.7546 (tt)
REVERT: B    7 HIS cc_start: 0.7795 (OUTLIER) cc_final: 0.6768 (t-170)
REVERT: B   31 ARG cc_start: 0.7783 (ppt-90) cc_final: 0.7135 (ttp80)
REVERT: C   64 LYS cc_start: 0.6598 (OUTLIER) cc_final: 0.6025 (ptmt)
REVERT: C   73 ARG cc_start: 0.6700 (tpt-90) cc_final: 0.6093 (ttm-80)
REVERT: C  122 LYS cc_start: 0.8253 (OUTLIER) cc_final: 0.7723 (mtmt)
REVERT: C  157 LYS cc_start: 0.7723 (OUTLIER) cc_final: 0.6988 (ptmt)
REVERT: C  161 GLU cc_start: 0.7887 (mt-10) cc_final: 0.7624 (pm20)
REVERT: C  195 GLU cc_start: 0.7643 (mm-30) cc_final: 0.7336 (tm-30)
REVERT: C  220 TRP cc_start: 0.8170 (OUTLIER) cc_final: 0.6388 (p90)
REVERT: C  247 LYS cc_start: 0.7867 (OUTLIER) cc_final: 0.7234 (mmmt)
REVERT: C  269 GLU cc_start: 0.8476 (tt0) cc_final: 0.8201 (pm20)
REVERT: C  277 LEU cc_start: 0.8862 (OUTLIER) cc_final: 0.8165 (pt)
REVERT: C  295 LYS cc_start: 0.7949 (OUTLIER) cc_final: 0.7698 (ttmm)
REVERT: C  314 GLU cc_start: 0.7775 (pt0) cc_final: 0.7177 (tt0)
REVERT: C  323 ARG cc_start: 0.7105 (OUTLIER) cc_final: 0.6702 (tpp-160)
REVERT: C  388 LYS cc_start: 0.8022 (OUTLIER) cc_final: 0.7157 (ttmt)
REVERT: C  402 ILE cc_start: 0.8091 (OUTLIER) cc_final: 0.7652 (mm)
REVERT: C  438 GLN cc_start: 0.7544 (OUTLIER) cc_final: 0.7139 (tt0)
REVERT: D   26 TRP cc_start: 0.6969 (OUTLIER) cc_final: 0.6099 (m100)
  outliers start: 174
  outliers final: 115
  residues processed: 390
  average time/residue: 0.0932
  time to fit residues: 51.5068
Evaluate side-chains
  400 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 136
    poor density    : 264
  time to evaluate  : 0.311 
-------------------------------------------------------------------------------
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   82 LEU
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  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  283 LEU
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  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  406 MET
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    2 VAL
Chi-restraints excluded: chain B residue    4 LEU
Chi-restraints excluded: chain B residue    7 HIS
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   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   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  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  402 ILE
Chi-restraints excluded: chain C residue  422 PHE
Chi-restraints excluded: chain C residue  432 ILE
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  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 105 optimal weight:   30.0000
   chunk 79 optimal weight:   20.0000
   chunk 28 optimal weight:   20.0000
   chunk 68 optimal weight:    2.9990
   chunk 81 optimal weight:   30.0000
   chunk 78 optimal weight:   30.0000
   chunk 51 optimal weight:    7.9990
   chunk 41 optimal weight:   10.0000
   chunk 17 optimal weight:   30.0000
   chunk 74 optimal weight:    6.9990
   chunk 66 optimal weight:   20.0000
   overall best weight:    9.5994

-------------------------------------------------------------------------------
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
C   8 ASN
** C  27 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** 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**
D   7 HIS
** 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 = 0.3705 r_free = 0.3705 target = 0.143675 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 40)----------------|
| r_work = 0.3581 r_free = 0.3581 target = 0.133922 restraints weight = 21253.380|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 40)----------------|
| r_work = 0.3613 r_free = 0.3613 target = 0.136441 restraints weight = 10723.131|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 26)----------------|
| r_work = 0.3634 r_free = 0.3634 target = 0.138124 restraints weight = 6343.067|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 4; iterations = 33)----------------|
| r_work = 0.3647 r_free = 0.3647 target = 0.139213 restraints weight = 4205.626|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 5; iterations = 33)----------------|
| r_work = 0.3657 r_free = 0.3657 target = 0.139999 restraints weight = 3051.443|
|-----------------------------------------------------------------------------|
r_work (final): 0.3639
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7381
moved from start:          0.3795

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.005   0.035   8992  Z= 0.226
  Angle     :  0.950  11.650  12182  Z= 0.481
  Chirality :  0.047   0.147   1412
  Planarity :  0.006   0.040   1520
  Dihedral  : 14.232  88.026   1561
  Min Nonbonded Distance : 2.210

Molprobity Statistics.
  All-atom Clashscore : 78.31
  Ramachandran Plot:
    Outliers :  4.88 %
    Allowed  : 29.13 %
    Favored  : 65.99 %
  Rotamer:
    Outliers : 18.03 %
    Allowed  : 24.63 %
    Favored  : 57.34 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z values with (uncertainties):
Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores below are scaled independently, so they aren not related in a simple way.
  whole: -6.46 (0.19), residues: 1126
  helix: -3.55 (0.20), residues: 300
  sheet: -2.99 (0.29), residues: 278
  loop : -5.60 (0.17), residues: 548

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 ARG   0.003   0.001   ARG C  89 
 TYR   0.020   0.003   TYR A 444 
 PHE   0.023   0.002   PHE A 373 
 TRP   0.021   0.002   TRP C 220 
 HIS   0.007   0.002   HIS C 282 

Details of bonding type rmsd
  covalent geometry    : bond        0.00483 ( 8986)
  covalent geometry    : angle       0.93779 (12164)
  hydrogen bonds       : bond        0.05404 (  320)
  hydrogen bonds       : angle       7.92623 (  843)
  link_BETA1-4         : bond        0.00282 (    2)
  link_BETA1-4         : angle       1.50477 (    6)
  link_NAG-ASN         : bond        0.00172 (    4)
  link_NAG-ASN         : angle       4.94540 (   12)

*********************** 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
  442 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 172
    poor density    : 270
  time to evaluate  : 0.365 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
REVERT: A   77 GLN cc_start: 0.7253 (pm20) cc_final: 0.6879 (pm20)
REVERT: A   98 ASP cc_start: 0.8342 (OUTLIER) cc_final: 0.7896 (m-30)
REVERT: A   99 ARG cc_start: 0.7397 (OUTLIER) cc_final: 0.6789 (ttp-170)
REVERT: A  122 LYS cc_start: 0.8171 (OUTLIER) cc_final: 0.7774 (mtmt)
REVERT: A  135 LEU cc_start: 0.8731 (OUTLIER) cc_final: 0.8338 (tm)
REVERT: A  157 LYS cc_start: 0.7882 (OUTLIER) cc_final: 0.7310 (ptmt)
REVERT: A  161 GLU cc_start: 0.7882 (mt-10) cc_final: 0.7661 (pm20)
REVERT: A  247 LYS cc_start: 0.7883 (OUTLIER) cc_final: 0.7467 (mmtt)
REVERT: A  277 LEU cc_start: 0.8772 (OUTLIER) cc_final: 0.8077 (pt)
REVERT: A  402 ILE cc_start: 0.7978 (OUTLIER) cc_final: 0.7342 (mm)
REVERT: A  422 PHE cc_start: 0.7344 (OUTLIER) cc_final: 0.5708 (t80)
REVERT: A  438 GLN cc_start: 0.7507 (OUTLIER) cc_final: 0.7142 (tt0)
REVERT: A  443 ILE cc_start: 0.8049 (tp) cc_final: 0.7739 (tt)
REVERT: B   26 TRP cc_start: 0.6774 (OUTLIER) cc_final: 0.6372 (m100)
REVERT: B   27 LYS cc_start: 0.7352 (ttpp) cc_final: 0.6791 (tppt)
REVERT: B   31 ARG cc_start: 0.7797 (ppt-90) cc_final: 0.7185 (ttp80)
REVERT: C   64 LYS cc_start: 0.6545 (OUTLIER) cc_final: 0.5998 (ptmt)
REVERT: C   73 ARG cc_start: 0.6769 (tpt-90) cc_final: 0.6029 (ttm-80)
REVERT: C   98 ASP cc_start: 0.8499 (OUTLIER) cc_final: 0.8181 (m-30)
REVERT: C  122 LYS cc_start: 0.8058 (OUTLIER) cc_final: 0.7842 (mmmt)
REVERT: C  157 LYS cc_start: 0.7670 (OUTLIER) cc_final: 0.6981 (ptmt)
REVERT: C  161 GLU cc_start: 0.7869 (mt-10) cc_final: 0.7599 (pm20)
REVERT: C  195 GLU cc_start: 0.7362 (mm-30) cc_final: 0.7136 (tm-30)
REVERT: C  198 LEU cc_start: 0.8718 (OUTLIER) cc_final: 0.8387 (mm)
REVERT: C  199 LEU cc_start: 0.8521 (OUTLIER) cc_final: 0.8248 (tp)
REVERT: C  204 LYS cc_start: 0.7532 (OUTLIER) cc_final: 0.7137 (ptpp)
REVERT: C  247 LYS cc_start: 0.8016 (OUTLIER) cc_final: 0.7535 (mmmt)
REVERT: C  269 GLU cc_start: 0.8500 (tt0) cc_final: 0.8184 (pm20)
REVERT: C  277 LEU cc_start: 0.8664 (OUTLIER) cc_final: 0.8103 (pt)
REVERT: C  323 ARG cc_start: 0.7227 (OUTLIER) cc_final: 0.6980 (tpp-160)
REVERT: C  402 ILE cc_start: 0.8067 (OUTLIER) cc_final: 0.7449 (mm)
REVERT: C  443 ILE cc_start: 0.8230 (tp) cc_final: 0.7967 (tt)
REVERT: C  492 MET cc_start: 0.7766 (tpp) cc_final: 0.7272 (tpp)
REVERT: D    2 VAL cc_start: 0.7294 (m) cc_final: 0.6880 (m)
REVERT: D   26 TRP cc_start: 0.6852 (OUTLIER) cc_final: 0.6311 (m100)
  outliers start: 172
  outliers final: 125
  residues processed: 370
  average time/residue: 0.0989
  time to fit residues: 51.5928
Evaluate side-chains
  402 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 148
    poor density    : 254
  time to evaluate  : 0.364 
-------------------------------------------------------------------------------
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   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   68 THR
Chi-restraints excluded: chain A residue   69 THR
Chi-restraints excluded: chain A residue   76 THR
Chi-restraints excluded: chain A residue   82 LEU
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  122 LYS
Chi-restraints excluded: chain A residue  125 MET
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  192 ASP
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  264 LEU
Chi-restraints excluded: chain A residue  270 ILE
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  283 LEU
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  335 ILE
Chi-restraints excluded: chain A residue  338 GLU
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  379 ILE
Chi-restraints excluded: chain A residue  380 ILE
Chi-restraints excluded: chain A residue  389 LEU
Chi-restraints excluded: chain A residue  398 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  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 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   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   68 THR
Chi-restraints excluded: chain C residue   69 THR
Chi-restraints excluded: chain C residue   71 ASP
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  135 LEU
Chi-restraints excluded: chain C residue  141 ILE
Chi-restraints excluded: chain C residue  153 ASN
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  180 THR
Chi-restraints excluded: chain C residue  183 MET
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  204 LYS
Chi-restraints excluded: chain C residue  211 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  249 ASP
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  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  311 GLU
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  338 GLU
Chi-restraints excluded: chain C residue  351 LEU
Chi-restraints excluded: chain C residue  365 VAL
Chi-restraints excluded: chain C residue  376 SER
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  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  484 VAL
Chi-restraints excluded: chain C residue  487 LEU
Chi-restraints excluded: chain D residue   14 THR
Chi-restraints excluded: chain D residue   17 GLU
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
Rotamers are restrained with sigma=4.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 112
   random chunks:
   chunk 33 optimal weight:   20.0000
   chunk 60 optimal weight:   20.0000
   chunk 108 optimal weight:    7.9990
   chunk 31 optimal weight:    0.4980
   chunk 38 optimal weight:   10.0000
   chunk 98 optimal weight:   10.0000
   chunk 36 optimal weight:    9.9990
   chunk 22 optimal weight:    3.9990
   chunk 6 optimal weight:   20.0000
   chunk 20 optimal weight:   10.0000
   chunk 21 optimal weight:    0.9980
   overall best weight:    4.6986

-------------------------------------------------------------------------------
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 149 HIS
** 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 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**
D   7 HIS
** 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 = 0.3758 r_free = 0.3758 target = 0.147883 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 34)----------------|
| r_work = 0.3636 r_free = 0.3636 target = 0.138045 restraints weight = 21643.395|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 31)----------------|
| r_work = 0.3668 r_free = 0.3668 target = 0.140653 restraints weight = 10714.058|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 35)----------------|
| r_work = 0.3689 r_free = 0.3689 target = 0.142374 restraints weight = 6228.126|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 4; iterations = 32)----------------|
| r_work = 0.3702 r_free = 0.3702 target = 0.143472 restraints weight = 4077.797|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 5; iterations = 35)----------------|
| r_work = 0.3712 r_free = 0.3712 target = 0.144250 restraints weight = 2945.022|
|-----------------------------------------------------------------------------|
r_work (final): 0.3692
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7300
moved from start:          0.4386

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.003   0.033   8992  Z= 0.153
  Angle     :  0.818  10.853  12182  Z= 0.411
  Chirality :  0.044   0.239   1412
  Planarity :  0.005   0.040   1520
  Dihedral  : 13.207  89.759   1532
  Min Nonbonded Distance : 2.230

Molprobity Statistics.
  All-atom Clashscore : 71.67
  Ramachandran Plot:
    Outliers :  4.35 %
    Allowed  : 22.47 %
    Favored  : 73.18 %
  Rotamer:
    Outliers : 14.36 %
    Allowed  : 28.30 %
    Favored  : 57.34 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z values with (uncertainties):
Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores below are scaled independently, so they aren not related in a simple way.
  whole: -5.72 (0.20), residues: 1126
  helix: -2.55 (0.24), residues: 302
  sheet: -2.55 (0.30), residues: 270
  loop : -5.38 (0.17), residues: 554

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 ARG   0.003   0.000   ARG B  31 
 TYR   0.014   0.002   TYR A 444 
 PHE   0.012   0.001   PHE C 108 
 TRP   0.012   0.002   TRP A 465 
 HIS   0.005   0.001   HIS A  27 

Details of bonding type rmsd
  covalent geometry    : bond        0.00313 ( 8986)
  covalent geometry    : angle       0.80495 (12164)
  hydrogen bonds       : bond        0.04561 (  320)
  hydrogen bonds       : angle       7.25896 (  843)
  link_BETA1-4         : bond        0.00659 (    2)
  link_BETA1-4         : angle       1.27207 (    6)
  link_NAG-ASN         : bond        0.00651 (    4)
  link_NAG-ASN         : angle       4.64303 (   12)

*********************** 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
  419 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 137
    poor density    : 282
  time to evaluate  : 0.372 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
REVERT: A   43 PHE cc_start: 0.7836 (m-80) cc_final: 0.7569 (m-80)
REVERT: A   81 SER cc_start: 0.8069 (t) cc_final: 0.7840 (p)
REVERT: A   98 ASP cc_start: 0.8196 (OUTLIER) cc_final: 0.7888 (m-30)
REVERT: A   99 ARG cc_start: 0.7217 (mtp180) cc_final: 0.6804 (ttp-170)
REVERT: A  122 LYS cc_start: 0.8124 (OUTLIER) cc_final: 0.7771 (mtmt)
REVERT: A  125 MET cc_start: 0.7112 (OUTLIER) cc_final: 0.5559 (pmt)
REVERT: A  135 LEU cc_start: 0.8601 (OUTLIER) cc_final: 0.8253 (tm)
REVERT: A  149 HIS cc_start: 0.6151 (OUTLIER) cc_final: 0.5920 (m170)
REVERT: A  157 LYS cc_start: 0.7811 (OUTLIER) cc_final: 0.7337 (ptmt)
REVERT: A  247 LYS cc_start: 0.7723 (OUTLIER) cc_final: 0.7196 (mmtt)
REVERT: A  277 LEU cc_start: 0.8748 (OUTLIER) cc_final: 0.8062 (pt)
REVERT: A  422 PHE cc_start: 0.7281 (OUTLIER) cc_final: 0.5718 (t80)
REVERT: A  443 ILE cc_start: 0.7776 (tp) cc_final: 0.7528 (tt)
REVERT: B   27 LYS cc_start: 0.7175 (ttpp) cc_final: 0.6682 (tppt)
REVERT: B   31 ARG cc_start: 0.7709 (ppt-90) cc_final: 0.7209 (ttp80)
REVERT: C   64 LYS cc_start: 0.6364 (OUTLIER) cc_final: 0.5779 (ptmt)
REVERT: C   73 ARG cc_start: 0.6648 (OUTLIER) cc_final: 0.6023 (ttm-80)
REVERT: C   98 ASP cc_start: 0.8462 (OUTLIER) cc_final: 0.8058 (m-30)
REVERT: C  157 LYS cc_start: 0.7645 (OUTLIER) cc_final: 0.7093 (ptmt)
REVERT: C  175 LEU cc_start: 0.7943 (OUTLIER) cc_final: 0.7735 (mt)
REVERT: C  195 GLU cc_start: 0.7271 (mm-30) cc_final: 0.7057 (tm-30)
REVERT: C  198 LEU cc_start: 0.8610 (OUTLIER) cc_final: 0.8401 (mm)
REVERT: C  204 LYS cc_start: 0.7389 (OUTLIER) cc_final: 0.6879 (ptpp)
REVERT: C  247 LYS cc_start: 0.7901 (OUTLIER) cc_final: 0.7366 (mmmt)
REVERT: C  269 GLU cc_start: 0.8381 (tt0) cc_final: 0.8057 (pm20)
REVERT: C  391 TRP cc_start: 0.7174 (t60) cc_final: 0.6930 (t60)
REVERT: C  402 ILE cc_start: 0.7913 (OUTLIER) cc_final: 0.7335 (mm)
REVERT: C  443 ILE cc_start: 0.7921 (tp) cc_final: 0.7624 (tt)
REVERT: C  492 MET cc_start: 0.7554 (tpp) cc_final: 0.7150 (tpp)
REVERT: D   26 TRP cc_start: 0.6518 (OUTLIER) cc_final: 0.6051 (m100)
  outliers start: 137
  outliers final: 94
  residues processed: 367
  average time/residue: 0.0973
  time to fit residues: 50.1625
Evaluate side-chains
  374 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 113
    poor density    : 261
  time to evaluate  : 0.465 
-------------------------------------------------------------------------------
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   82 LEU
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  135 LEU
Chi-restraints excluded: chain A residue  141 ILE
Chi-restraints excluded: chain A residue  149 HIS
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  324 VAL
Chi-restraints excluded: chain A residue  335 ILE
Chi-restraints excluded: chain A residue  338 GLU
Chi-restraints excluded: chain A residue  348 LEU
Chi-restraints excluded: chain A residue  351 LEU
Chi-restraints excluded: chain A residue  379 ILE
Chi-restraints excluded: chain A residue  402 ILE
Chi-restraints excluded: chain A residue  405 THR
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   32 ILE
Chi-restraints excluded: chain B residue   36 ILE
Chi-restraints excluded: chain B residue   37 LEU
Chi-restraints excluded: chain B residue   63 ILE
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   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   73 ARG
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  125 MET
Chi-restraints excluded: chain C residue  135 LEU
Chi-restraints excluded: chain C residue  141 ILE
Chi-restraints excluded: chain C residue  153 ASN
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  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  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  280 THR
Chi-restraints excluded: chain C residue  283 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  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  448 PHE
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  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
Rotamers are restrained with sigma=3.50
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 112
   random chunks:
   chunk 8 optimal weight:    5.9990
   chunk 57 optimal weight:   20.0000
   chunk 43 optimal weight:   20.0000
   chunk 107 optimal weight:   20.0000
   chunk 22 optimal weight:    0.6980
   chunk 50 optimal weight:   30.0000
   chunk 40 optimal weight:   20.0000
   chunk 29 optimal weight:    0.2980
   chunk 58 optimal weight:   20.0000
   chunk 25 optimal weight:   20.0000
   chunk 94 optimal weight:   10.0000
   overall best weight:    7.3990

-------------------------------------------------------------------------------
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 203 ASN
** A 227 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
** A 276 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** A 355 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
B   7 HIS
** C  27 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** 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 355 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** C 366 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 = 0.3727 r_free = 0.3727 target = 0.145537 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 36)----------------|
| r_work = 0.3601 r_free = 0.3601 target = 0.135442 restraints weight = 21849.878|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 29)----------------|
| r_work = 0.3633 r_free = 0.3633 target = 0.138072 restraints weight = 10870.206|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 36)----------------|
| r_work = 0.3655 r_free = 0.3655 target = 0.139819 restraints weight = 6392.311|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 4; iterations = 40)----------------|
| r_work = 0.3669 r_free = 0.3669 target = 0.140979 restraints weight = 4212.088|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 5; iterations = 32)----------------|
| r_work = 0.3679 r_free = 0.3679 target = 0.141762 restraints weight = 3028.606|
|-----------------------------------------------------------------------------|
r_work (final): 0.3678
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7317
moved from start:          0.4663

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.004   0.041   8992  Z= 0.185
  Angle     :  0.829  10.425  12182  Z= 0.416
  Chirality :  0.045   0.179   1412
  Planarity :  0.005   0.036   1520
  Dihedral  : 12.384  88.665   1495
  Min Nonbonded Distance : 2.209

Molprobity Statistics.
  All-atom Clashscore : 74.21
  Ramachandran Plot:
    Outliers :  4.26 %
    Allowed  : 24.96 %
    Favored  : 70.78 %
  Rotamer:
    Outliers : 15.20 %
    Allowed  : 28.41 %
    Favored  : 56.39 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.09 %

Rama-Z values with (uncertainties):
Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores below are scaled independently, so they aren not related in a simple way.
  whole: -5.45 (0.21), residues: 1126
  helix: -2.11 (0.26), residues: 302
  sheet: -2.52 (0.30), residues: 282
  loop : -5.32 (0.18), residues: 542

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 ARG   0.003   0.001   ARG B  31 
 TYR   0.015   0.002   TYR C 444 
 PHE   0.015   0.002   PHE A 373 
 TRP   0.016   0.002   TRP A 101 
 HIS   0.018   0.002   HIS A 149 

Details of bonding type rmsd
  covalent geometry    : bond        0.00398 ( 8986)
  covalent geometry    : angle       0.81747 (12164)
  hydrogen bonds       : bond        0.04527 (  320)
  hydrogen bonds       : angle       7.15188 (  843)
  link_BETA1-4         : bond        0.00262 (    2)
  link_BETA1-4         : angle       1.30033 (    6)
  link_NAG-ASN         : bond        0.00424 (    4)
  link_NAG-ASN         : angle       4.34416 (   12)

*********************** 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
  410 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 145
    poor density    : 265
  time to evaluate  : 0.373 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
REVERT: A   81 SER cc_start: 0.7929 (t) cc_final: 0.7720 (p)
REVERT: A   98 ASP cc_start: 0.8231 (OUTLIER) cc_final: 0.7976 (m-30)
REVERT: A   99 ARG cc_start: 0.7231 (OUTLIER) cc_final: 0.6787 (ttp-170)
REVERT: A  125 MET cc_start: 0.7242 (OUTLIER) cc_final: 0.5440 (pmt)
REVERT: A  135 LEU cc_start: 0.8618 (OUTLIER) cc_final: 0.8218 (tm)
REVERT: A  157 LYS cc_start: 0.7795 (OUTLIER) cc_final: 0.7365 (ptmt)
REVERT: A  247 LYS cc_start: 0.7672 (OUTLIER) cc_final: 0.7092 (mmmt)
REVERT: A  277 LEU cc_start: 0.8734 (OUTLIER) cc_final: 0.8032 (pt)
REVERT: A  422 PHE cc_start: 0.7354 (OUTLIER) cc_final: 0.5778 (t80)
REVERT: A  443 ILE cc_start: 0.7800 (tp) cc_final: 0.7583 (tt)
REVERT: A  444 TYR cc_start: 0.6167 (OUTLIER) cc_final: 0.4954 (m-80)
REVERT: B   27 LYS cc_start: 0.7172 (ttpp) cc_final: 0.6672 (tppt)
REVERT: B   31 ARG cc_start: 0.7737 (ppt-90) cc_final: 0.7236 (ttp80)
REVERT: C   64 LYS cc_start: 0.6404 (OUTLIER) cc_final: 0.5829 (ptmt)
REVERT: C   73 ARG cc_start: 0.6647 (OUTLIER) cc_final: 0.6130 (ttm-80)
REVERT: C  157 LYS cc_start: 0.7659 (OUTLIER) cc_final: 0.7077 (ptmt)
REVERT: C  175 LEU cc_start: 0.7961 (OUTLIER) cc_final: 0.7755 (mt)
REVERT: C  184 GLU cc_start: 0.8103 (tp30) cc_final: 0.7849 (tt0)
REVERT: C  198 LEU cc_start: 0.8610 (OUTLIER) cc_final: 0.8399 (mm)
REVERT: C  204 LYS cc_start: 0.7517 (OUTLIER) cc_final: 0.7080 (ptpp)
REVERT: C  247 LYS cc_start: 0.7938 (OUTLIER) cc_final: 0.7369 (mmtt)
REVERT: C  269 GLU cc_start: 0.8475 (tt0) cc_final: 0.8149 (pm20)
REVERT: C  402 ILE cc_start: 0.7935 (OUTLIER) cc_final: 0.7351 (mm)
REVERT: C  443 ILE cc_start: 0.7981 (tp) cc_final: 0.7694 (tt)
REVERT: C  492 MET cc_start: 0.7548 (tpp) cc_final: 0.7112 (tpp)
REVERT: D   26 TRP cc_start: 0.6559 (OUTLIER) cc_final: 0.6102 (m100)
  outliers start: 145
  outliers final: 104
  residues processed: 350
  average time/residue: 0.0902
  time to fit residues: 45.0346
Evaluate side-chains
  379 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 122
    poor density    : 257
  time to evaluate  : 0.364 
-------------------------------------------------------------------------------
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   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   82 LEU
Chi-restraints excluded: chain A residue   84 GLU
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  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  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  348 LEU
Chi-restraints excluded: chain A residue  351 LEU
Chi-restraints excluded: chain A residue  357 ILE
Chi-restraints excluded: chain A residue  379 ILE
Chi-restraints excluded: chain A residue  402 ILE
Chi-restraints excluded: chain A residue  405 THR
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 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   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   73 ARG
Chi-restraints excluded: chain C residue  107 LEU
Chi-restraints excluded: chain C residue  113 ILE
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  153 ASN
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  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  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  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  448 PHE
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   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=3.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 112
   random chunks:
   chunk 30 optimal weight:    0.9990
   chunk 38 optimal weight:   10.0000
   chunk 31 optimal weight:    6.9990
   chunk 70 optimal weight:   20.0000
   chunk 108 optimal weight:   20.0000
   chunk 98 optimal weight:   20.0000
   chunk 42 optimal weight:   20.0000
   chunk 4 optimal weight:    7.9990
   chunk 52 optimal weight:   20.0000
   chunk 8 optimal weight:   20.0000
   chunk 57 optimal weight:   20.0000
   overall best weight:    9.1994

-------------------------------------------------------------------------------
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 276 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** C  27 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** 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 355 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** C 366 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 = 0.3724 r_free = 0.3724 target = 0.144963 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 35)----------------|
| r_work = 0.3594 r_free = 0.3594 target = 0.134732 restraints weight = 21997.531|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 39)----------------|
| r_work = 0.3627 r_free = 0.3627 target = 0.137374 restraints weight = 11063.685|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 32)----------------|
| r_work = 0.3648 r_free = 0.3648 target = 0.139115 restraints weight = 6524.097|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 4; iterations = 40)----------------|
| r_work = 0.3664 r_free = 0.3664 target = 0.140311 restraints weight = 4312.164|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 5; iterations = 25)----------------|
| r_work = 0.3673 r_free = 0.3673 target = 0.141004 restraints weight = 3084.589|
|-----------------------------------------------------------------------------|
r_work (final): 0.3677
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7336
moved from start:          0.4910

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.005   0.041   8992  Z= 0.210
  Angle     :  0.848   9.386  12182  Z= 0.428
  Chirality :  0.045   0.161   1412
  Planarity :  0.005   0.035   1520
  Dihedral  : 12.347  88.769   1485
  Min Nonbonded Distance : 2.169

Molprobity Statistics.
  All-atom Clashscore : 76.46
  Ramachandran Plot:
    Outliers :  4.09 %
    Allowed  : 25.40 %
    Favored  : 70.52 %
  Rotamer:
    Outliers : 15.30 %
    Allowed  : 28.41 %
    Favored  : 56.29 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.09 %

Rama-Z values with (uncertainties):
Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores below are scaled independently, so they aren not related in a simple way.
  whole: -5.28 (0.21), residues: 1126
  helix: -2.11 (0.26), residues: 302
  sheet: -2.28 (0.32), residues: 272
  loop : -5.18 (0.18), residues: 552

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 ARG   0.003   0.001   ARG A 471 
 TYR   0.016   0.002   TYR C 326 
 PHE   0.018   0.002   PHE A 373 
 TRP   0.014   0.002   TRP A 220 
 HIS   0.007   0.002   HIS A 149 

Details of bonding type rmsd
  covalent geometry    : bond        0.00457 ( 8986)
  covalent geometry    : angle       0.83985 (12164)
  hydrogen bonds       : bond        0.04646 (  320)
  hydrogen bonds       : angle       7.15931 (  843)
  link_BETA1-4         : bond        0.00095 (    2)
  link_BETA1-4         : angle       1.36562 (    6)
  link_NAG-ASN         : bond        0.00330 (    4)
  link_NAG-ASN         : angle       3.81935 (   12)

*********************** 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
  401 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 146
    poor density    : 255
  time to evaluate  : 0.376 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
REVERT: A   81 SER cc_start: 0.8004 (t) cc_final: 0.7755 (p)
REVERT: A   99 ARG cc_start: 0.7326 (OUTLIER) cc_final: 0.7030 (ttp-170)
REVERT: A  125 MET cc_start: 0.7187 (OUTLIER) cc_final: 0.5212 (pmt)
REVERT: A  135 LEU cc_start: 0.8608 (OUTLIER) cc_final: 0.8083 (tm)
REVERT: A  157 LYS cc_start: 0.7886 (OUTLIER) cc_final: 0.7386 (ptmt)
REVERT: A  247 LYS cc_start: 0.7762 (OUTLIER) cc_final: 0.7074 (mmmt)
REVERT: A  260 MET cc_start: 0.6826 (tpp) cc_final: 0.6358 (tpt)
REVERT: A  277 LEU cc_start: 0.8743 (OUTLIER) cc_final: 0.8077 (pt)
REVERT: A  422 PHE cc_start: 0.7298 (OUTLIER) cc_final: 0.6058 (t80)
REVERT: A  443 ILE cc_start: 0.7827 (tp) cc_final: 0.7623 (tt)
REVERT: A  444 TYR cc_start: 0.6302 (OUTLIER) cc_final: 0.5126 (m-80)
REVERT: B   27 LYS cc_start: 0.7180 (ttpp) cc_final: 0.6666 (tppt)
REVERT: B   31 ARG cc_start: 0.7820 (ppt-90) cc_final: 0.7236 (ttp80)
REVERT: C   64 LYS cc_start: 0.6505 (OUTLIER) cc_final: 0.5918 (ptmt)
REVERT: C   73 ARG cc_start: 0.6667 (OUTLIER) cc_final: 0.6072 (ttm-80)
REVERT: C  157 LYS cc_start: 0.7645 (OUTLIER) cc_final: 0.7078 (ptmt)
REVERT: C  175 LEU cc_start: 0.7999 (OUTLIER) cc_final: 0.7791 (mt)
REVERT: C  184 GLU cc_start: 0.8019 (tp30) cc_final: 0.7809 (tt0)
REVERT: C  199 LEU cc_start: 0.8062 (OUTLIER) cc_final: 0.7852 (tp)
REVERT: C  204 LYS cc_start: 0.7894 (OUTLIER) cc_final: 0.7458 (ptpp)
REVERT: C  247 LYS cc_start: 0.7932 (OUTLIER) cc_final: 0.7352 (mmmt)
REVERT: C  269 GLU cc_start: 0.8500 (tt0) cc_final: 0.8164 (pm20)
REVERT: C  344 LYS cc_start: 0.4344 (mmtt) cc_final: 0.3702 (mtmm)
REVERT: C  402 ILE cc_start: 0.8005 (OUTLIER) cc_final: 0.7450 (mm)
REVERT: C  443 ILE cc_start: 0.8101 (tp) cc_final: 0.7824 (tt)
REVERT: C  492 MET cc_start: 0.7580 (tpp) cc_final: 0.7143 (tpp)
REVERT: D   26 TRP cc_start: 0.6593 (OUTLIER) cc_final: 0.6144 (m100)
REVERT: D   60 ARG cc_start: 0.7502 (mmt90) cc_final: 0.7251 (mtt90)
  outliers start: 146
  outliers final: 115
  residues processed: 349
  average time/residue: 0.0921
  time to fit residues: 45.7857
Evaluate side-chains
  373 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 132
    poor density    : 241
  time to evaluate  : 0.371 
-------------------------------------------------------------------------------
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   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   82 LEU
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  113 ILE
Chi-restraints excluded: chain A residue  118 MET
Chi-restraints excluded: chain A residue  125 MET
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  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  324 VAL
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  379 ILE
Chi-restraints excluded: chain A residue  402 ILE
Chi-restraints excluded: chain A residue  405 THR
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  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   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   73 ARG
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  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  153 ASN
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  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  270 ILE
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  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  448 PHE
Chi-restraints excluded: chain C residue  454 ILE
Chi-restraints excluded: chain C residue  457 ILE
Chi-restraints excluded: chain C residue  461 VAL
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   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=2.50
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 112
   random chunks:
   chunk 106 optimal weight:   30.0000
   chunk 103 optimal weight:   30.0000
   chunk 4 optimal weight:   10.0000
   chunk 30 optimal weight:   20.0000
   chunk 51 optimal weight:    7.9990
   chunk 35 optimal weight:    9.9990
   chunk 52 optimal weight:    5.9990
   chunk 109 optimal weight:    9.9990
   chunk 102 optimal weight:    0.4980
   chunk 18 optimal weight:   10.0000
   chunk 91 optimal weight:    6.9990
   overall best weight:    6.2988

-------------------------------------------------------------------------------
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 276 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** A 355 ASN ** 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 124 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**
** C 366 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 = 0.3750 r_free = 0.3750 target = 0.147101 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 33)----------------|
| r_work = 0.3622 r_free = 0.3622 target = 0.136815 restraints weight = 21721.365|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 38)----------------|
| r_work = 0.3655 r_free = 0.3655 target = 0.139488 restraints weight = 10958.555|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 29)----------------|
| r_work = 0.3677 r_free = 0.3677 target = 0.141269 restraints weight = 6455.871|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 4; iterations = 30)----------------|
| r_work = 0.3690 r_free = 0.3690 target = 0.142396 restraints weight = 4261.255|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 5; iterations = 36)----------------|
| r_work = 0.3700 r_free = 0.3700 target = 0.143214 restraints weight = 3102.074|
|-----------------------------------------------------------------------------|
r_work (final): 0.3695
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7298
moved from start:          0.5163

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.004   0.035   8992  Z= 0.165
  Angle     :  0.782   7.849  12182  Z= 0.395
  Chirality :  0.044   0.179   1412
  Planarity :  0.005   0.036   1520
  Dihedral  : 11.863  87.202   1479
  Min Nonbonded Distance : 2.175

Molprobity Statistics.
  All-atom Clashscore : 74.67
  Ramachandran Plot:
    Outliers :  4.09 %
    Allowed  : 22.74 %
    Favored  : 73.18 %
  Rotamer:
    Outliers : 15.09 %
    Allowed  : 28.41 %
    Favored  : 56.50 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.09 %

Rama-Z values with (uncertainties):
Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores below are scaled independently, so they aren not related in a simple way.
  whole: -5.07 (0.21), residues: 1126
  helix: -1.92 (0.26), residues: 302
  sheet: -2.18 (0.32), residues: 272
  loop : -5.03 (0.18), residues: 552

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 ARG   0.003   0.000   ARG B  31 
 TYR   0.015   0.002   TYR A 137 
 PHE   0.011   0.002   PHE A 373 
 TRP   0.026   0.002   TRP C 391 
 HIS   0.005   0.001   HIS A  27 

Details of bonding type rmsd
  covalent geometry    : bond        0.00354 ( 8986)
  covalent geometry    : angle       0.77569 (12164)
  hydrogen bonds       : bond        0.04229 (  320)
  hydrogen bonds       : angle       6.93376 (  843)
  link_BETA1-4         : bond        0.00303 (    2)
  link_BETA1-4         : angle       1.19006 (    6)
  link_NAG-ASN         : bond        0.00288 (    4)
  link_NAG-ASN         : angle       3.16701 (   12)

*********************** 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
  399 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 144
    poor density    : 255
  time to evaluate  : 0.248 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
REVERT: A   77 GLN cc_start: 0.7611 (pm20) cc_final: 0.7198 (pm20)
REVERT: A   81 SER cc_start: 0.7871 (t) cc_final: 0.7658 (p)
REVERT: A   99 ARG cc_start: 0.7103 (OUTLIER) cc_final: 0.6721 (ttp-170)
REVERT: A  125 MET cc_start: 0.7184 (OUTLIER) cc_final: 0.5227 (pmt)
REVERT: A  135 LEU cc_start: 0.8485 (OUTLIER) cc_final: 0.8119 (tm)
REVERT: A  157 LYS cc_start: 0.7826 (OUTLIER) cc_final: 0.7380 (ptmt)
REVERT: A  247 LYS cc_start: 0.7754 (OUTLIER) cc_final: 0.7085 (mmtt)
REVERT: A  260 MET cc_start: 0.6917 (tpp) cc_final: 0.6369 (tpt)
REVERT: A  277 LEU cc_start: 0.8757 (OUTLIER) cc_final: 0.8178 (pt)
REVERT: A  422 PHE cc_start: 0.7270 (OUTLIER) cc_final: 0.6036 (t80)
REVERT: A  444 TYR cc_start: 0.6249 (OUTLIER) cc_final: 0.5077 (m-80)
REVERT: B   27 LYS cc_start: 0.7011 (ttpp) cc_final: 0.6611 (tppt)
REVERT: B   31 ARG cc_start: 0.7721 (ppt-90) cc_final: 0.7204 (ttp80)
REVERT: C   64 LYS cc_start: 0.6467 (OUTLIER) cc_final: 0.5893 (ptmt)
REVERT: C  157 LYS cc_start: 0.7683 (OUTLIER) cc_final: 0.7199 (ptmt)
REVERT: C  199 LEU cc_start: 0.7989 (OUTLIER) cc_final: 0.7766 (tp)
REVERT: C  204 LYS cc_start: 0.7777 (OUTLIER) cc_final: 0.7306 (ptpp)
REVERT: C  247 LYS cc_start: 0.7910 (OUTLIER) cc_final: 0.7373 (mmmt)
REVERT: C  269 GLU cc_start: 0.8460 (tt0) cc_final: 0.8102 (pm20)
REVERT: C  344 LYS cc_start: 0.4245 (mmtt) cc_final: 0.3560 (mtmm)
REVERT: C  351 LEU cc_start: 0.8272 (OUTLIER) cc_final: 0.7729 (tm)
REVERT: C  402 ILE cc_start: 0.7935 (OUTLIER) cc_final: 0.7365 (mm)
REVERT: C  443 ILE cc_start: 0.7882 (tp) cc_final: 0.7568 (tt)
REVERT: C  488 TYR cc_start: 0.7000 (t80) cc_final: 0.6567 (t80)
REVERT: C  492 MET cc_start: 0.7490 (tpp) cc_final: 0.6957 (tpp)
REVERT: D   26 TRP cc_start: 0.6534 (OUTLIER) cc_final: 0.6082 (m100)
REVERT: D   60 ARG cc_start: 0.7484 (mmt90) cc_final: 0.7242 (mtt90)
  outliers start: 144
  outliers final: 112
  residues processed: 347
  average time/residue: 0.0926
  time to fit residues: 46.1037
Evaluate side-chains
  381 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 128
    poor density    : 253
  time to evaluate  : 0.323 
-------------------------------------------------------------------------------
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   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   60 CYS
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   82 LEU
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  125 MET
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  324 VAL
Chi-restraints excluded: chain A residue  348 LEU
Chi-restraints excluded: chain A residue  351 LEU
Chi-restraints excluded: chain A residue  379 ILE
Chi-restraints excluded: chain A residue  402 ILE
Chi-restraints excluded: chain A residue  405 THR
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 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   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   95 SER
Chi-restraints excluded: chain C residue  107 LEU
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  153 ASN
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  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  270 ILE
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  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  448 PHE
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   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=2.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 112
   random chunks:
   chunk 110 optimal weight:   20.0000
   chunk 49 optimal weight:    3.9990
   chunk 35 optimal weight:    0.0270
   chunk 68 optimal weight:    8.9990
   chunk 39 optimal weight:    7.9990
   chunk 61 optimal weight:    6.9990
   chunk 88 optimal weight:    3.9990
   chunk 81 optimal weight:    0.7980
   chunk 90 optimal weight:    8.9990
   chunk 2 optimal weight:    7.9990
   chunk 66 optimal weight:    8.9990
   overall best weight:    3.1644

-------------------------------------------------------------------------------
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 227 GLN
** A 355 ASN ** 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 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 = 0.3790 r_free = 0.3790 target = 0.150442 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 40)----------------|
| r_work = 0.3668 r_free = 0.3668 target = 0.140196 restraints weight = 21342.318|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 33)----------------|
| r_work = 0.3700 r_free = 0.3700 target = 0.142912 restraints weight = 10424.387|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 36)----------------|
| r_work = 0.3722 r_free = 0.3722 target = 0.144745 restraints weight = 6057.213|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 4; iterations = 24)----------------|
| r_work = 0.3735 r_free = 0.3735 target = 0.145829 restraints weight = 3919.803|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 5; iterations = 33)----------------|
| r_work = 0.3745 r_free = 0.3745 target = 0.146679 restraints weight = 2831.520|
|-----------------------------------------------------------------------------|
r_work (final): 0.3744
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7223
moved from start:          0.5534

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.003   0.032   8992  Z= 0.123
  Angle     :  0.710   7.670  12182  Z= 0.358
  Chirality :  0.043   0.181   1412
  Planarity :  0.004   0.037   1520
  Dihedral  : 11.128  86.058   1475
  Min Nonbonded Distance : 2.156

Molprobity Statistics.
  All-atom Clashscore : 70.46
  Ramachandran Plot:
    Outliers :  4.00 %
    Allowed  : 18.92 %
    Favored  : 77.09 %
  Rotamer:
    Outliers : 11.74 %
    Allowed  : 31.34 %
    Favored  : 56.92 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.09 %

Rama-Z values with (uncertainties):
Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores below are scaled independently, so they aren not related in a simple way.
  whole: -4.64 (0.22), residues: 1126
  helix: -1.50 (0.26), residues: 306
  sheet: -1.90 (0.34), residues: 250
  loop : -4.76 (0.19), residues: 570

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 ARG   0.003   0.000   ARG B  31 
 TYR   0.013   0.001   TYR A 137 
 PHE   0.019   0.001   PHE B  64 
 TRP   0.039   0.002   TRP A 391 
 HIS   0.004   0.001   HIS A  27 

Details of bonding type rmsd
  covalent geometry    : bond        0.00256 ( 8986)
  covalent geometry    : angle       0.70669 (12164)
  hydrogen bonds       : bond        0.03784 (  320)
  hydrogen bonds       : angle       6.57879 (  843)
  link_BETA1-4         : bond        0.00342 (    2)
  link_BETA1-4         : angle       1.03563 (    6)
  link_NAG-ASN         : bond        0.00319 (    4)
  link_NAG-ASN         : angle       2.32647 (   12)

*********************** 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
  388 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 112
    poor density    : 276
  time to evaluate  : 0.369 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
REVERT: A   99 ARG cc_start: 0.6948 (mtp180) cc_final: 0.6710 (ttp-170)
REVERT: A  125 MET cc_start: 0.7217 (OUTLIER) cc_final: 0.5477 (pmt)
REVERT: A  135 LEU cc_start: 0.8340 (OUTLIER) cc_final: 0.7951 (tm)
REVERT: A  157 LYS cc_start: 0.7658 (OUTLIER) cc_final: 0.7409 (ptmt)
REVERT: A  247 LYS cc_start: 0.7604 (OUTLIER) cc_final: 0.6956 (mmtt)
REVERT: A  260 MET cc_start: 0.6949 (tpp) cc_final: 0.6630 (tpt)
REVERT: A  400 GLN cc_start: 0.8438 (tp40) cc_final: 0.8206 (tp40)
REVERT: A  422 PHE cc_start: 0.7167 (OUTLIER) cc_final: 0.6008 (t80)
REVERT: A  444 TYR cc_start: 0.6002 (OUTLIER) cc_final: 0.4990 (m-80)
REVERT: B   27 LYS cc_start: 0.6943 (ttpp) cc_final: 0.6599 (tppt)
REVERT: B   31 ARG cc_start: 0.7652 (ppt-90) cc_final: 0.7301 (ttp80)
REVERT: C   64 LYS cc_start: 0.6444 (OUTLIER) cc_final: 0.5893 (ptmt)
REVERT: C   94 HIS cc_start: 0.6677 (m90) cc_final: 0.6451 (m170)
REVERT: C   98 ASP cc_start: 0.8035 (OUTLIER) cc_final: 0.7786 (m-30)
REVERT: C  157 LYS cc_start: 0.7728 (OUTLIER) cc_final: 0.7481 (ptmt)
REVERT: C  204 LYS cc_start: 0.7617 (OUTLIER) cc_final: 0.7118 (ptpp)
REVERT: C  247 LYS cc_start: 0.7803 (OUTLIER) cc_final: 0.7272 (mmmt)
REVERT: C  289 MET cc_start: 0.7953 (mmt) cc_final: 0.7300 (mmt)
REVERT: C  344 LYS cc_start: 0.4182 (mmtt) cc_final: 0.3560 (mtmm)
REVERT: C  351 LEU cc_start: 0.8231 (OUTLIER) cc_final: 0.8014 (tm)
REVERT: C  434 LYS cc_start: 0.7290 (ttpt) cc_final: 0.6917 (ttpp)
REVERT: C  488 TYR cc_start: 0.7022 (t80) cc_final: 0.6212 (t80)
REVERT: D   26 TRP cc_start: 0.6431 (OUTLIER) cc_final: 0.5986 (m100)
REVERT: D   60 ARG cc_start: 0.7385 (mmt90) cc_final: 0.7163 (mtt90)
  outliers start: 112
  outliers final: 84
  residues processed: 345
  average time/residue: 0.1022
  time to fit residues: 49.1406
Evaluate side-chains
  358 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 97
    poor density    : 261
  time to evaluate  : 0.366 
-------------------------------------------------------------------------------
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   23 ILE
Chi-restraints excluded: chain A residue   25 LEU
Chi-restraints excluded: chain A residue   26 GLU
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   60 CYS
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  113 ILE
Chi-restraints excluded: chain A residue  125 MET
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  280 THR
Chi-restraints excluded: chain A residue  283 LEU
Chi-restraints excluded: chain A residue  302 CYS
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  379 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  466 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   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   98 ASP
Chi-restraints excluded: chain C residue  107 LEU
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  153 ASN
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  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  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  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  389 LEU
Chi-restraints excluded: chain C residue  422 PHE
Chi-restraints excluded: chain C residue  432 ILE
Chi-restraints excluded: chain C residue  448 PHE
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   26 TRP
Chi-restraints excluded: chain D residue   36 ILE
Chi-restraints excluded: chain D residue   37 LEU
Rotamers are restrained with sigma=1.50
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 112
   random chunks:
   chunk 82 optimal weight:   30.0000
   chunk 92 optimal weight:   10.0000
   chunk 36 optimal weight:    0.4980
   chunk 43 optimal weight:   30.0000
   chunk 17 optimal weight:   20.0000
   chunk 12 optimal weight:    4.9990
   chunk 49 optimal weight:    0.2980
   chunk 16 optimal weight:   20.0000
   chunk 13 optimal weight:    5.9990
   chunk 48 optimal weight:   10.0000
   chunk 5 optimal weight:    0.8980
   overall best weight:    2.5384

-------------------------------------------------------------------------------
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 271 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
** A 276 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** A 355 ASN ** 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 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 = 0.3817 r_free = 0.3817 target = 0.152764 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 36)----------------|
| r_work = 0.3690 r_free = 0.3690 target = 0.142130 restraints weight = 21536.915|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 44)----------------|
| r_work = 0.3723 r_free = 0.3723 target = 0.144880 restraints weight = 10838.381|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 36)----------------|
| r_work = 0.3744 r_free = 0.3744 target = 0.146708 restraints weight = 6418.269|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 4; iterations = 22)----------------|
| r_work = 0.3758 r_free = 0.3758 target = 0.147898 restraints weight = 4267.210|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 5; iterations = 37)----------------|
| r_work = 0.3768 r_free = 0.3768 target = 0.148722 restraints weight = 3102.051|
|-----------------------------------------------------------------------------|
r_work (final): 0.3765
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7202
moved from start:          0.5777

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.002   0.034   8992  Z= 0.116
  Angle     :  0.692   7.908  12182  Z= 0.348
  Chirality :  0.041   0.173   1412
  Planarity :  0.004   0.041   1520
  Dihedral  : 10.521  85.911   1456
  Min Nonbonded Distance : 2.155

Molprobity Statistics.
  All-atom Clashscore : 68.72
  Ramachandran Plot:
    Outliers :  3.91 %
    Allowed  : 18.56 %
    Favored  : 77.53 %
  Rotamer:
    Outliers : 10.27 %
    Allowed  : 33.23 %
    Favored  : 56.50 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.09 %

Rama-Z values with (uncertainties):
Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores below are scaled independently, so they aren not related in a simple way.
  whole: -4.39 (0.22), residues: 1126
  helix: -1.22 (0.27), residues: 306
  sheet: -1.84 (0.34), residues: 254
  loop : -4.62 (0.20), residues: 566

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 ARG   0.003   0.000   ARG B  31 
 TYR   0.013   0.001   TYR A 137 
 PHE   0.020   0.001   PHE B  64 
 TRP   0.036   0.002   TRP C 101 
 HIS   0.004   0.001   HIS D   7 

Details of bonding type rmsd
  covalent geometry    : bond        0.00243 ( 8986)
  covalent geometry    : angle       0.68974 (12164)
  hydrogen bonds       : bond        0.03580 (  320)
  hydrogen bonds       : angle       6.39877 (  843)
  link_BETA1-4         : bond        0.00209 (    2)
  link_BETA1-4         : angle       1.10158 (    6)
  link_NAG-ASN         : bond        0.00269 (    4)
  link_NAG-ASN         : angle       1.96132 (   12)

*********************** 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
  367 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 98
    poor density    : 269
  time to evaluate  : 0.352 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
REVERT: A  125 MET cc_start: 0.7216 (OUTLIER) cc_final: 0.5427 (pmt)
REVERT: A  135 LEU cc_start: 0.8265 (OUTLIER) cc_final: 0.7897 (tm)
REVERT: A  247 LYS cc_start: 0.7499 (OUTLIER) cc_final: 0.6959 (mmtt)
REVERT: A  260 MET cc_start: 0.6842 (tpp) cc_final: 0.6513 (tpt)
REVERT: A  340 MET cc_start: 0.7093 (ttm) cc_final: 0.6703 (ttm)
REVERT: A  422 PHE cc_start: 0.6985 (OUTLIER) cc_final: 0.5817 (t80)
REVERT: A  444 TYR cc_start: 0.6199 (OUTLIER) cc_final: 0.5251 (m-80)
REVERT: B   27 LYS cc_start: 0.6899 (ttpp) cc_final: 0.6591 (tppt)
REVERT: B   31 ARG cc_start: 0.7615 (ppt-90) cc_final: 0.7267 (ttp80)
REVERT: C   64 LYS cc_start: 0.6459 (OUTLIER) cc_final: 0.5928 (ptmt)
REVERT: C   94 HIS cc_start: 0.6439 (m90) cc_final: 0.6226 (m170)
REVERT: C   98 ASP cc_start: 0.8069 (OUTLIER) cc_final: 0.7589 (m-30)
REVERT: C  196 MET cc_start: 0.6809 (OUTLIER) cc_final: 0.6031 (mmp)
REVERT: C  204 LYS cc_start: 0.7676 (OUTLIER) cc_final: 0.7135 (ptpp)
REVERT: C  247 LYS cc_start: 0.7889 (OUTLIER) cc_final: 0.7351 (mmmt)
REVERT: C  271 GLN cc_start: 0.7279 (mm-40) cc_final: 0.7019 (tp-100)
REVERT: C  289 MET cc_start: 0.7855 (mmt) cc_final: 0.7237 (mmt)
REVERT: C  344 LYS cc_start: 0.4203 (mmtt) cc_final: 0.3695 (mtmm)
REVERT: C  351 LEU cc_start: 0.8245 (OUTLIER) cc_final: 0.8035 (tm)
REVERT: C  434 LYS cc_start: 0.7356 (ttpt) cc_final: 0.6948 (ttpp)
REVERT: C  488 TYR cc_start: 0.7088 (t80) cc_final: 0.6258 (t80)
REVERT: D   27 LYS cc_start: 0.7319 (ttpt) cc_final: 0.6553 (tppt)
  outliers start: 98
  outliers final: 73
  residues processed: 330
  average time/residue: 0.1026
  time to fit residues: 46.9573
Evaluate side-chains
  343 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 84
    poor density    : 259
  time to evaluate  : 0.347 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
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   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   60 CYS
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  125 MET
Chi-restraints excluded: chain A residue  135 LEU
Chi-restraints excluded: chain A residue  141 ILE
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  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  280 THR
Chi-restraints excluded: chain A residue  283 LEU
Chi-restraints excluded: chain A residue  302 CYS
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  379 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  466 ILE
Chi-restraints excluded: chain B residue   36 ILE
Chi-restraints excluded: chain B residue   37 LEU
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   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   98 ASP
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  153 ASN
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  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  278 LEU
Chi-restraints excluded: chain C residue  280 THR
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  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  389 LEU
Chi-restraints excluded: chain C residue  432 ILE
Chi-restraints excluded: chain C residue  448 PHE
Chi-restraints excluded: chain C residue  466 ILE
Chi-restraints excluded: chain D residue   36 ILE
Chi-restraints excluded: chain D residue   37 LEU
Rotamers are restrained with sigma=1.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 112
   random chunks:
   chunk 96 optimal weight:   20.0000
   chunk 18 optimal weight:    9.9990
   chunk 88 optimal weight:   20.0000
   chunk 30 optimal weight:   20.0000
   chunk 56 optimal weight:   20.0000
   chunk 108 optimal weight:    7.9990
   chunk 47 optimal weight:   30.0000
   chunk 43 optimal weight:   30.0000
   chunk 61 optimal weight:   10.0000
   chunk 63 optimal weight:    2.9990
   chunk 52 optimal weight:   20.0000
   overall best weight:   10.1994

-------------------------------------------------------------------------------
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 271 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
** A 276 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** A 355 ASN ** 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 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 = 0.3734 r_free = 0.3734 target = 0.145839 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 37)----------------|
| r_work = 0.3607 r_free = 0.3607 target = 0.135485 restraints weight = 21526.798|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 31)----------------|
| r_work = 0.3640 r_free = 0.3640 target = 0.138127 restraints weight = 10741.021|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 32)----------------|
| r_work = 0.3661 r_free = 0.3661 target = 0.139904 restraints weight = 6346.178|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 4; iterations = 32)----------------|
| r_work = 0.3676 r_free = 0.3676 target = 0.141127 restraints weight = 4200.143|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 5; iterations = 51)----------------|
| r_work = 0.3686 r_free = 0.3686 target = 0.141926 restraints weight = 3017.266|
|-----------------------------------------------------------------------------|
r_work (final): 0.3689
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7311
moved from start:          0.5629

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.005   0.044   8992  Z= 0.229
  Angle     :  0.832  10.103  12182  Z= 0.420
  Chirality :  0.045   0.165   1412
  Planarity :  0.005   0.054   1520
  Dihedral  : 10.827  86.364   1424
  Min Nonbonded Distance : 2.158

Molprobity Statistics.
  All-atom Clashscore : 76.52
  Ramachandran Plot:
    Outliers :  4.00 %
    Allowed  : 22.20 %
    Favored  : 73.80 %
  Rotamer:
    Outliers : 10.17 %
    Allowed  : 33.23 %
    Favored  : 56.60 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.18 %

Rama-Z values with (uncertainties):
Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores below are scaled independently, so they aren not related in a simple way.
  whole: -4.70 (0.22), residues: 1126
  helix: -1.67 (0.26), residues: 306
  sheet: -2.02 (0.33), residues: 262
  loop : -4.71 (0.20), residues: 558

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 ARG   0.003   0.001   ARG A 471 
 TYR   0.019   0.003   TYR C 326 
 PHE   0.022   0.002   PHE A 373 
 TRP   0.031   0.002   TRP C 101 
 HIS   0.008   0.002   HIS A  27 

Details of bonding type rmsd
  covalent geometry    : bond        0.00503 ( 8986)
  covalent geometry    : angle       0.82934 (12164)
  hydrogen bonds       : bond        0.04366 (  320)
  hydrogen bonds       : angle       6.82596 (  843)
  link_BETA1-4         : bond        0.00101 (    2)
  link_BETA1-4         : angle       1.32675 (    6)
  link_NAG-ASN         : bond        0.00175 (    4)
  link_NAG-ASN         : angle       2.04654 (   12)

********************** 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
  349 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 97
    poor density    : 252
  time to evaluate  : 0.369 
Fit side-chains
   revert: symmetry clash
REVERT: A  125 MET cc_start: 0.7241 (OUTLIER) cc_final: 0.5286 (pmt)
REVERT: A  135 LEU cc_start: 0.8480 (OUTLIER) cc_final: 0.8097 (tm)
REVERT: A  247 LYS cc_start: 0.7733 (OUTLIER) cc_final: 0.7047 (mmtt)
REVERT: A  260 MET cc_start: 0.7026 (tpp) cc_final: 0.6535 (tpt)
REVERT: A  422 PHE cc_start: 0.7159 (OUTLIER) cc_final: 0.5998 (t80)
REVERT: A  444 TYR cc_start: 0.6444 (OUTLIER) cc_final: 0.5443 (m-80)
REVERT: B   27 LYS cc_start: 0.7058 (ttpp) cc_final: 0.6661 (tppt)
REVERT: B   31 ARG cc_start: 0.7839 (ppt-90) cc_final: 0.7248 (ttp80)
REVERT: C   64 LYS cc_start: 0.6580 (OUTLIER) cc_final: 0.6054 (ptmt)
REVERT: C  196 MET cc_start: 0.6735 (OUTLIER) cc_final: 0.5983 (mmp)
REVERT: C  204 LYS cc_start: 0.8113 (OUTLIER) cc_final: 0.7680 (ptpp)
REVERT: C  247 LYS cc_start: 0.7819 (OUTLIER) cc_final: 0.7287 (mmmt)
REVERT: C  260 MET cc_start: 0.6984 (tpt) cc_final: 0.6778 (tpt)
REVERT: C  269 GLU cc_start: 0.8513 (tt0) cc_final: 0.8187 (pm20)
REVERT: C  344 LYS cc_start: 0.4281 (mmtt) cc_final: 0.3664 (mtmm)
REVERT: C  351 LEU cc_start: 0.8320 (OUTLIER) cc_final: 0.8106 (tm)
REVERT: C  488 TYR cc_start: 0.7049 (t80) cc_final: 0.6600 (t80)
REVERT: D   45 MET cc_start: 0.6352 (tpp) cc_final: 0.6028 (tpp)
  outliers start: 97
  outliers final: 77
  residues processed: 318
  average time/residue: 0.0964
  time to fit residues: 43.4558
Evaluate side-chains
  327 residues out of total 954 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 87
    poor density    : 240
  time to evaluate  : 0.293 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
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   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   60 CYS
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  125 MET
Chi-restraints excluded: chain A residue  135 LEU
Chi-restraints excluded: chain A residue  141 ILE
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  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  280 THR
Chi-restraints excluded: chain A residue  283 LEU
Chi-restraints excluded: chain A residue  302 CYS
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  379 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  457 ILE
Chi-restraints excluded: chain A residue  466 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   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  107 LEU
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  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  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  270 ILE
Chi-restraints excluded: chain C residue  278 LEU
Chi-restraints excluded: chain C residue  280 THR
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  308 VAL
Chi-restraints excluded: chain C residue  312 ILE
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  389 LEU
Chi-restraints excluded: chain C residue  432 ILE
Chi-restraints excluded: chain C residue  448 PHE
Chi-restraints excluded: chain C residue  466 ILE
Chi-restraints excluded: chain C residue  481 LEU
Chi-restraints excluded: chain D residue   36 ILE
Chi-restraints excluded: chain D residue   37 LEU
Chi-restraints excluded: chain D residue   52 THR
Rotamers are restrained with sigma=1.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 112
   random chunks:
   chunk 65 optimal weight:   10.0000
   chunk 54 optimal weight:   20.0000
   chunk 48 optimal weight:    5.9990
   chunk 13 optimal weight:    1.9990
   chunk 8 optimal weight:    0.0170
   chunk 31 optimal weight:    6.9990
   chunk 24 optimal weight:   20.0000
   chunk 102 optimal weight:   20.0000
   chunk 35 optimal weight:    8.9990
   chunk 30 optimal weight:   30.0000
   chunk 4 optimal weight:    6.9990
   overall best weight:    4.4026

-------------------------------------------------------------------------------
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 103 ASN
A 203 ASN
** A 271 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
** A 276 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** A 355 ASN ** 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 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 = 0.3785 r_free = 0.3785 target = 0.149994 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 24)----------------|
| r_work = 0.3655 r_free = 0.3655 target = 0.139254 restraints weight = 21946.262|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 35)----------------|
| r_work = 0.3688 r_free = 0.3688 target = 0.141976 restraints weight = 11156.942|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 40)----------------|
| r_work = 0.3710 r_free = 0.3710 target = 0.143839 restraints weight = 6674.112|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 4; iterations = 32)----------------|
| r_work = 0.3724 r_free = 0.3724 target = 0.145044 restraints weight = 4440.233|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 5; iterations = 35)----------------|
| r_work = 0.3734 r_free = 0.3734 target = 0.145854 restraints weight = 3219.104|
|-----------------------------------------------------------------------------|
r_work (final): 0.3732
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7250
moved from start:          0.5838

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.003   0.043   8992  Z= 0.136
  Angle     :  0.729   9.772  12182  Z= 0.367
  Chirality :  0.042   0.178   1412
  Planarity :  0.004   0.046   1520
  Dihedral  : 10.487  84.619   1424
  Min Nonbonded Distance : 2.169

Molprobity Statistics.
  All-atom Clashscore : 70.11
  Ramachandran Plot:
    Outliers :  3.64 %
    Allowed  : 20.34 %
    Favored  : 76.02 %
  Rotamer:
    Outliers :  9.22 %
    Allowed  : 34.28 %
    Favored  : 56.50 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.18 %

Rama-Z values with (uncertainties):
Interpretation: poor |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores below are scaled independently, so they aren not related in a simple way.
  whole: -4.47 (0.22), residues: 1126
  helix: -1.36 (0.26), residues: 306
  sheet: -1.90 (0.34), residues: 254
  loop : -4.61 (0.20), residues: 566

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 ARG   0.003   0.000   ARG B  31 
 TYR   0.012   0.002   TYR A 137 
 PHE   0.016   0.001   PHE B  64 
 TRP   0.024   0.002   TRP C 101 
 HIS   0.006   0.001   HIS A  27 

Details of bonding type rmsd
  covalent geometry    : bond        0.00291 ( 8986)
  covalent geometry    : angle       0.72659 (12164)
  hydrogen bonds       : bond        0.03871 (  320)
  hydrogen bonds       : angle       6.54631 (  843)
  link_BETA1-4         : bond        0.00228 (    2)
  link_BETA1-4         : angle       1.19323 (    6)
  link_NAG-ASN         : bond        0.00231 (    4)
  link_NAG-ASN         : angle       1.86493 (   12)

===============================================================================
Job complete
usr+sys time: 1702.18 seconds
wall clock time: 30 minutes 19.46 seconds (1819.46 seconds total)