Starting phenix.real_space_refine
on Wed Jun  3 13:35:32 2026 by dcliebschner
===============================================================================

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

  Found model, /net/cci-nas-00/data/ceres_data/9o7h_70199/06_2026/9o7h_70199.cif
  Found real_map, /net/cci-nas-00/data/ceres_data/9o7h_70199/06_2026/9o7h_70199.map

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

  Adding command-line PHIL:
  -------------------------
    refinement.macro_cycles=10
    scattering_table=electron
    resolution=4.8
    write_initial_geo_file=False

Final processed PHIL parameters:
-------------------------------------------------------------------------------
  data_manager {
    real_map_files = "/net/cci-nas-00/data/ceres_data/9o7h_70199/06_2026/9o7h_70199.map"
    default_real_map = "/net/cci-nas-00/data/ceres_data/9o7h_70199/06_2026/9o7h_70199.map"
    model {
      file = "/net/cci-nas-00/data/ceres_data/9o7h_70199/06_2026/9o7h_70199.cif"
    }
    default_model = "/net/cci-nas-00/data/ceres_data/9o7h_70199/06_2026/9o7h_70199.cif"
  }
  resolution = 4.8
  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
Origin is already at (0, 0, 0), no shifts will be applied
-------------------------------------------------------------------------------
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=  -0.000 sd=   0.019
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: 4
    Type Number    sf(0)   Gaussians
     C    1984      2.51       5
     N     992      2.21       5
     O     996      1.98       5
     H    1998      0.53       5
    sf(0) = scattering factor at diffraction angle 0.
Process input model
  Monomer Library directory:
    "/net/cci-filer3/home/dcliebschner/04_cryoem/Phenix-dev-6079/lib/python3.9/site-packages/chem_data/mon_lib"
  Total number of atoms: 5970
  Number of models: 1
  Model: ""
    Number of chains: 4
    Chain: "A"
      Number of atoms: 1688
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 281, 1688
          Classifications: {'peptide': 281}
          Modifications used: {'COO': 1, 'NH1NOTPRO': 1}
          Link IDs: {'PTRANS': 10, 'TRANS': 270}
          Unresolved chain link angles: 10
          Unresolved non-hydrogen bonds: 1213
          Unresolved non-hydrogen angles: 1731
          Unresolved non-hydrogen dihedrals: 789
          Unresolved non-hydrogen chiralities: 327
          Planarities with less than four sites: {'GLN:plan1': 18, 'GLU:plan': 31, 'ASN:plan1': 9, 'ARG:plan': 24, 'PHE:plan': 8, 'TYR:plan': 11, 'HIS:plan': 9, 'ASP:plan': 19, 'TRP:plan': 2, 'TYR%COO:plan': 1}
          Unresolved non-hydrogen planarities: 654
    Chain: "B"
      Number of atoms: 1688
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 281, 1688
          Classifications: {'peptide': 281}
          Modifications used: {'COO': 1, 'NH1NOTPRO': 1}
          Link IDs: {'PTRANS': 10, 'TRANS': 270}
          Unresolved chain link angles: 10
          Unresolved non-hydrogen bonds: 1213
          Unresolved non-hydrogen angles: 1731
          Unresolved non-hydrogen dihedrals: 789
          Unresolved non-hydrogen chiralities: 327
          Planarities with less than four sites: {'GLN:plan1': 18, 'GLU:plan': 31, 'ASN:plan1': 9, 'ARG:plan': 24, 'PHE:plan': 8, 'TYR:plan': 11, 'HIS:plan': 9, 'ASP:plan': 19, 'TRP:plan': 2, 'TYR%COO:plan': 1}
          Unresolved non-hydrogen planarities: 654
    Chain: "C"
      Number of atoms: 1291
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 214, 1291
          Classifications: {'peptide': 214}
          Modifications used: {'COO': 1, 'NH3': 1}
          Link IDs: {'PCIS': 1, 'PTRANS': 10, 'TRANS': 202}
          Unresolved chain link angles: 11
          Unresolved non-hydrogen bonds: 829
          Unresolved non-hydrogen angles: 1207
          Unresolved non-hydrogen dihedrals: 528
          Unresolved non-hydrogen chiralities: 256
          Planarities with less than four sites: {'GLU:plan': 11, 'GLN:plan1': 13, 'ARG:plan': 11, 'PHE:plan': 9, 'TRP:plan': 2, 'TYR:plan': 10, 'ASP:plan': 8, 'ASN:plan1': 5, 'HIS:plan': 2, 'GLU%COO:plan': 1}
          Unresolved non-hydrogen planarities: 382
    Chain: "D"
      Number of atoms: 1303
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 216, 1303
          Classifications: {'peptide': 216}
          Modifications used: {'COO': 1, 'NH3': 1}
          Link IDs: {'PTRANS': 13, 'TRANS': 202}
          Unresolved chain link angles: 13
          Unresolved non-hydrogen bonds: 796
          Unresolved non-hydrogen angles: 1176
          Unresolved non-hydrogen dihedrals: 515
          Unresolved non-hydrogen chiralities: 259
          Planarities with less than four sites: {'GLN:plan1': 7, 'ASP:plan': 6, 'ASN:plan1': 10, 'TRP:plan': 6, 'ARG:plan': 6, 'GLU:plan': 5, 'TYR:plan': 10, 'PHE:plan': 5, 'HIS:plan': 2}
          Unresolved non-hydrogen planarities: 329
  Time building chain proxies: 1.73, per 1000 atoms: 0.29
  Number of scatterers: 5970
  At special positions: 0
  Unit cell: (93.408, 105.918, 155.958, 90, 90, 90)
  Space group: P 1 (No. 1)
  Number of sites at special positions: 0
  Number of scattering types: 4
    Type Number    sf(0)
     O     996      8.00
     N     992      7.00
     C    1984      6.00
     H    1998      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
  Time building additional restraints: 0.46
  Conformation dependent library (CDL) restraints added in 369.4 milliseconds
  

  1968 Ramachandran restraints generated.
    984 Oldfield, 0 Emsley, 984 emsley8k and 0 Phi/Psi/2.
  Adding C-beta torsion restraints...
  Number of C-beta restraints generated:  0

  Finding SS restraints...
    Secondary structure from input PDB file:
      32 helices and 12 sheets defined
      44.1% alpha, 24.1% beta
      0 base pairs and 0 stacking pairs defined.
    Time for finding SS restraints: 0.24
  Creating SS restraints...
    Processing helix  chain 'A' and resid 25 through 39
    Processing helix  chain 'A' and resid 41 through 56
    Processing helix  chain 'A' and resid 59 through 73
      removed outlier: 3.775A  pdb=" N   TYR A  63 " --> pdb=" O   VAL A  59 " (cutoff:3.500A)
    Processing helix  chain 'A' and resid 75 through 90
      removed outlier: 3.952A  pdb=" N   ALA A  81 " --> pdb=" O   GLU A  77 " (cutoff:3.500A)
    Processing helix  chain 'A' and resid 93 through 107
    Processing helix  chain 'A' and resid 109 through 127
    Processing helix  chain 'A' and resid 133 through 152
    Processing helix  chain 'A' and resid 159 through 178
    Processing helix  chain 'A' and resid 189 through 215
    Processing helix  chain 'A' and resid 254 through 264
      removed outlier: 4.216A  pdb=" N   GLU A 259 " --> pdb=" O   LYS A 255 " (cutoff:3.500A)
    Processing helix  chain 'A' and resid 276 through 280
    Processing helix  chain 'A' and resid 283 through 297
    Processing helix  chain 'B' and resid 25 through 39
      removed outlier: 4.392A  pdb=" N   GLU B  31 " --> pdb=" O   GLN B  27 " (cutoff:3.500A)
    Processing helix  chain 'B' and resid 41 through 56
      removed outlier: 4.417A  pdb=" N   ALA B  47 " --> pdb=" O   PRO B  43 " (cutoff:3.500A)
    Processing helix  chain 'B' and resid 59 through 70
      removed outlier: 3.690A  pdb=" N   TYR B  63 " --> pdb=" O   VAL B  59 " (cutoff:3.500A)
    Processing helix  chain 'B' and resid 71 through 73
      No H-bonds generated for 'chain 'B' and resid 71 through 73'
    Processing helix  chain 'B' and resid 74 through 90
      removed outlier: 3.563A  pdb=" N   GLN B  78 " --> pdb=" O   GLN B  74 " (cutoff:3.500A)
      removed outlier: 5.233A  pdb=" N   LEU B  80 " --> pdb=" O   HIS B  76 " (cutoff:3.500A)
      removed outlier: 4.134A  pdb=" N   ALA B  81 " --> pdb=" O   GLU B  77 " (cutoff:3.500A)
      removed outlier: 4.056A  pdb=" N   ASP B  82 " --> pdb=" O   GLN B  78 " (cutoff:3.500A)
    Processing helix  chain 'B' and resid 93 through 104
    Processing helix  chain 'B' and resid 109 through 127
    Processing helix  chain 'B' and resid 134 through 180
    Processing helix  chain 'B' and resid 190 through 224
      removed outlier: 3.987A  pdb=" N   LYS B 221 " --> pdb=" O   GLN B 217 " (cutoff:3.500A)
      removed outlier: 3.848A  pdb=" N   ARG B 222 " --> pdb=" O   VAL B 218 " (cutoff:3.500A)
    Processing helix  chain 'B' and resid 228 through 232
    Processing helix  chain 'B' and resid 254 through 261
      removed outlier: 3.707A  pdb=" N   GLU B 259 " --> pdb=" O   LYS B 255 " (cutoff:3.500A)
    Processing helix  chain 'B' and resid 276 through 280
    Processing helix  chain 'B' and resid 283 through 296
    Processing helix  chain 'B' and resid 297 through 301
    Processing helix  chain 'C' and resid 110 through 114
      removed outlier: 3.743A  pdb=" N   PHE C 114 " --> pdb=" O   PRO C 111 " (cutoff:3.500A)
    Processing helix  chain 'C' and resid 151 through 157
    Processing helix  chain 'C' and resid 213 through 217
    Processing helix  chain 'D' and resid 91 through 95
    Processing helix  chain 'D' and resid 164 through 166
      No H-bonds generated for 'chain 'D' and resid 164 through 166'
    Processing helix  chain 'D' and resid 195 through 199
    Processing sheet with id=AA1, first strand: chain 'A' and resid 251 through 253
    Processing sheet with id=AA2, first strand: chain 'B' and resid 251 through 253
    Processing sheet with id=AA3, first strand: chain 'C' and resid 34 through 36
      removed outlier: 5.064A  pdb=" N   THR C 100 " --> pdb=" O   ALA C  55 " (cutoff:3.500A)
      removed outlier: 9.636A  pdb=" N   GLN C  57 " --> pdb=" O   SER C  98 " (cutoff:3.500A)
      removed outlier: 9.952A  pdb=" N   SER C  98 " --> pdb=" O   GLN C  57 " (cutoff:3.500A)
      removed outlier: 11.977A  pdb=" N   VAL C  59 " --> pdb=" O   SER C  96 " (cutoff:3.500A)
      removed outlier: 12.585A  pdb=" N   SER C  96 " --> pdb=" O   VAL C  59 " (cutoff:3.500A)
    Processing sheet with id=AA4, first strand: chain 'C' and resid 40 through 42
      removed outlier: 6.602A  pdb=" N   LEU C  64 " --> pdb=" O   TYR C  80 " (cutoff:3.500A)
      removed outlier: 4.723A  pdb=" N   TYR C  80 " --> pdb=" O   LEU C  64 " (cutoff:3.500A)
      removed outlier: 6.551A  pdb=" N   TRP C  66 " --> pdb=" O   LEU C  78 " (cutoff:3.500A)
    Processing sheet with id=AA5, first strand: chain 'C' and resid 144 through 148
      removed outlier: 5.907A  pdb=" N   TYR C 203 " --> pdb=" O   ASN C 168 " (cutoff:3.500A)
    Processing sheet with id=AA6, first strand: chain 'C' and resid 183 through 185
      removed outlier: 4.516A  pdb=" N   TRP C 178 " --> pdb=" O   GLN C 185 " (cutoff:3.500A)
    Processing sheet with id=AA7, first strand: chain 'D' and resid 18 through 24
    Processing sheet with id=AA8, first strand: chain 'D' and resid 60 through 64
      removed outlier: 5.211A  pdb=" N   LEU D  48 " --> pdb=" O   SER D  43 " (cutoff:3.500A)
      removed outlier: 6.947A  pdb=" N   SER D  43 " --> pdb=" O   LEU D  48 " (cutoff:3.500A)
      removed outlier: 5.211A  pdb=" N   TRP D  50 " --> pdb=" O   ARG D  41 " (cutoff:3.500A)
      removed outlier: 6.278A  pdb=" N   ARG D  41 " --> pdb=" O   TRP D  50 " (cutoff:3.500A)
      removed outlier: 3.650A  pdb=" N   GLY D  52 " --> pdb=" O   TRP D  39 " (cutoff:3.500A)
      removed outlier: 4.239A  pdb=" N   TYR D 110 " --> pdb=" O   ARG D 102 " (cutoff:3.500A)
      removed outlier: 7.164A  pdb=" N   VAL D 104 " --> pdb=" O   PHE D 108 " (cutoff:3.500A)
      removed outlier: 5.228A  pdb=" N   PHE D 108 " --> pdb=" O   VAL D 104 " (cutoff:3.500A)
    Processing sheet with id=AA9, first strand: chain 'D' and resid 60 through 64
      removed outlier: 5.211A  pdb=" N   LEU D  48 " --> pdb=" O   SER D  43 " (cutoff:3.500A)
      removed outlier: 6.947A  pdb=" N   SER D  43 " --> pdb=" O   LEU D  48 " (cutoff:3.500A)
      removed outlier: 5.211A  pdb=" N   TRP D  50 " --> pdb=" O   ARG D  41 " (cutoff:3.500A)
      removed outlier: 6.278A  pdb=" N   ARG D  41 " --> pdb=" O   TRP D  50 " (cutoff:3.500A)
      removed outlier: 3.650A  pdb=" N   GLY D  52 " --> pdb=" O   TRP D  39 " (cutoff:3.500A)
    Processing sheet with id=AB1, first strand: chain 'D' and resid 129 through 132
      removed outlier: 3.788A  pdb=" N   ASP D 152 " --> pdb=" O   TYR D 184 " (cutoff:3.500A)
      removed outlier: 6.297A  pdb=" N   TYR D 184 " --> pdb=" O   ASP D 152 " (cutoff:3.500A)
    Processing sheet with id=AB2, first strand: chain 'D' and resid 129 through 132
      removed outlier: 3.788A  pdb=" N   ASP D 152 " --> pdb=" O   TYR D 184 " (cutoff:3.500A)
      removed outlier: 6.297A  pdb=" N   TYR D 184 " --> pdb=" O   ASP D 152 " (cutoff:3.500A)
    Processing sheet with id=AB3, first strand: chain 'D' and resid 159 through 162
      removed outlier: 4.147A  pdb=" N   TYR D 202 " --> pdb=" O   VAL D 219 " (cutoff:3.500A)

    456 hydrogen bonds defined for protein.
    1269 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: 1.02

  Time building geometry restraints manager: 0.61 seconds

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

  Histogram of bond lengths:
        1.00 -     1.11: 1998
        1.11 -     1.22: 53
        1.22 -     1.33: 1551
        1.33 -     1.44: 424
        1.44 -     1.55: 1940
  Bond restraints: 5966
  Sorted by residual:
  bond pdb=" N   PHE A  37 "
       pdb=" H   PHE A  37 "
    ideal  model  delta    sigma   weight residual
    0.860  1.012 -0.152 2.00e-02 2.50e+03 5.78e+01
  bond pdb=" N   GLU A 301 "
       pdb=" H   GLU A 301 "
    ideal  model  delta    sigma   weight residual
    0.860  1.012 -0.152 2.00e-02 2.50e+03 5.77e+01
  bond pdb=" N   GLU B 174 "
       pdb=" H   GLU B 174 "
    ideal  model  delta    sigma   weight residual
    0.860  1.012 -0.152 2.00e-02 2.50e+03 5.75e+01
  bond pdb=" N   GLN B 104 "
       pdb=" H   GLN B 104 "
    ideal  model  delta    sigma   weight residual
    0.860  1.012 -0.152 2.00e-02 2.50e+03 5.75e+01
  bond pdb=" N   GLY B 233 "
       pdb=" H   GLY B 233 "
    ideal  model  delta    sigma   weight residual
    0.860  1.011 -0.151 2.00e-02 2.50e+03 5.74e+01
  ... (remaining 5961 not shown)

  Histogram of bond angle deviations from ideal:
        0.00 -     2.01: 5740
        2.01 -     4.02: 1577
        4.02 -     6.03: 1294
        6.03 -     8.04: 368
        8.04 -    10.05: 25
  Bond angle restraints: 9004
  Sorted by residual:
  angle pdb=" N   GLN B  75 "
        pdb=" CA  GLN B  75 "
        pdb=" C   GLN B  75 "
      ideal   model   delta    sigma   weight residual
     111.71  120.24   -8.53 1.15e+00 7.56e-01 5.50e+01
  angle pdb=" N   GLU A 301 "
        pdb=" CA  GLU A 301 "
        pdb=" C   GLU A 301 "
      ideal   model   delta    sigma   weight residual
     113.23  104.29    8.94 1.22e+00 6.72e-01 5.37e+01
  angle pdb=" N   ALA B 138 "
        pdb=" CA  ALA B 138 "
        pdb=" C   ALA B 138 "
      ideal   model   delta    sigma   weight residual
     112.89  104.44    8.45 1.24e+00 6.50e-01 4.64e+01
  angle pdb=" N   LEU A 117 "
        pdb=" CA  LEU A 117 "
        pdb=" C   LEU A 117 "
      ideal   model   delta    sigma   weight residual
     111.82  103.93    7.89 1.16e+00 7.43e-01 4.63e+01
  angle pdb=" N   LEU B 105 "
        pdb=" CA  LEU B 105 "
        pdb=" C   LEU B 105 "
      ideal   model   delta    sigma   weight residual
     112.23  104.73    7.50 1.26e+00 6.30e-01 3.55e+01
  ... (remaining 8999 not shown)

  Histogram of dihedral angle deviations from ideal:
        0.00 -    11.86: 1745
       11.86 -    23.73: 93
       23.73 -    35.59: 28
       35.59 -    47.45: 18
       47.45 -    59.31: 41
  Dihedral angle restraints: 1925
    sinusoidal: 937
      harmonic: 988
  Sorted by residual:
  dihedral pdb=" CA  LEU C 165 "
           pdb=" C   LEU C 165 "
           pdb=" N   LEU C 166 "
           pdb=" CA  LEU C 166 "
      ideal   model   delta  harmonic     sigma   weight residual
     180.00  150.63   29.37     0      5.00e+00 4.00e-02 3.45e+01
  dihedral pdb=" CA  TYR C  80 "
           pdb=" C   TYR C  80 "
           pdb=" N   GLY C  81 "
           pdb=" CA  GLY C  81 "
      ideal   model   delta  harmonic     sigma   weight residual
    -180.00 -150.86  -29.14     0      5.00e+00 4.00e-02 3.40e+01
  dihedral pdb=" CA  MET D  13 "
           pdb=" C   MET D  13 "
           pdb=" N   LYS D  14 "
           pdb=" CA  LYS D  14 "
      ideal   model   delta  harmonic     sigma   weight residual
    -180.00 -151.63  -28.37     0      5.00e+00 4.00e-02 3.22e+01
  ... (remaining 1922 not shown)

  Chirality restraints: 0

  Planarity restraints: 1936
  Sorted by residual:
                                 delta    sigma   weight rms_deltas residual
  plane pdb=" C   TYR C  80 "    0.042 2.00e-02 2.50e+03   7.77e-02 6.04e+01
        pdb=" N   GLY C  81 "   -0.134 2.00e-02 2.50e+03
        pdb=" CA  GLY C  81 "    0.038 2.00e-02 2.50e+03
        pdb=" H   GLY C  81 "    0.054 2.00e-02 2.50e+03
                                 delta    sigma   weight rms_deltas residual
  plane pdb=" C   ALA C  82 "   -0.036 2.00e-02 2.50e+03   6.60e-02 4.36e+01
        pdb=" N   SER C  83 "    0.114 2.00e-02 2.50e+03
        pdb=" CA  SER C  83 "   -0.033 2.00e-02 2.50e+03
        pdb=" H   SER C  83 "   -0.046 2.00e-02 2.50e+03
                                 delta    sigma   weight rms_deltas residual
  plane pdb=" C   ALA D  96 "   -0.030 2.00e-02 2.50e+03   5.65e-02 3.20e+01
        pdb=" N   VAL D  97 "    0.098 2.00e-02 2.50e+03
        pdb=" CA  VAL D  97 "   -0.028 2.00e-02 2.50e+03
        pdb=" H   VAL D  97 "   -0.040 2.00e-02 2.50e+03
  ... (remaining 1933 not shown)

  Histogram of nonbonded interaction distances:
        1.74 -     2.27: 548
        2.27 -     2.80: 7158
        2.80 -     3.33: 10059
        3.33 -     3.87: 9428
        3.87 -     4.40: 12174
  Nonbonded interactions: 39367
  Sorted by model distance:
  nonbonded pdb=" O   ILE A 155 "
            pdb=" H   GLN A 157 "
     model   vdw
     1.737 2.450
  nonbonded pdb=" O   THR A 246 "
            pdb=" H   GLY A 249 "
     model   vdw
     1.787 2.450
  nonbonded pdb=" H   SER D  58 "
            pdb=" H   LYS D  59 "
     model   vdw
     1.788 2.100
  nonbonded pdb=" H   ASN D 163 "
            pdb=" O   ILE D 203 "
     model   vdw
     1.791 2.450
  nonbonded pdb=" H   ASP B 268 "
            pdb=" O   SER B 273 "
     model   vdw
     1.792 2.450
  ... (remaining 39362 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: 0.00
Found NCS groups:
ncs_group {
  reference = chain 'A'
  selection = chain 'B'
}

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=1.00 max=1.00 mean=1.00
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:             3.030
  Set stop_for_unknowns flag:              0.000
  Assert model is a single copy model:     0.000
  Assert all atoms have isotropic ADPs:    0.000
  Construct map_model_manager:             0.070
  Extract box with map and model:          0.180
  Check model and map are aligned:         0.020
  Set scattering table:                    0.020
  Process input model:                     7.760
  Find NCS groups from input model:        0.060
  Set up NCS constraints:                  0.010
  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:1.350
  Set ADP refinement strategy:             0.000
  Make a string to write initial .geo file:0.000
  Internal consistency checks:             0.000
  Total:   12.500
-------------------------------------------------------------------------------
Set refinement monitor
**********************
-------------------------------------------------------------------------------
Setup refinement engine
***********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.2011
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   0.050   3968  Z= 0.763
  Angle     :  1.716   8.942   4956  Z= 1.279
  Chirality :  0.000   0.000      0
  Planarity :  0.005   0.029    992
  Dihedral  :  7.079  46.672    992
  Min Nonbonded Distance : 2.500

Molprobity Statistics.
  All-atom Clashscore : 0.00
  Ramachandran Plot:
    Outliers :  0.51 %
    Allowed  :  4.67 %
    Favored  : 94.82 %
  Rotamer:
    Outliers :  0.00 %
    Allowed  :  0.00 %
    Favored  :  0.00 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 2.27 %
    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 are not related in a simple way.
  whole: -0.48 (0.24), residues: 984
  helix:  0.10 (0.23), residues: 392
  sheet:  0.50 (0.38), residues: 174
  loop : -1.00 (0.28), residues: 418


Details of bonding type rmsd/Z
  covalent geometry    : bond        0.00975 /  0.76 ( 3968)
  covalent geometry    : angle       1.71633 /  1.28 ( 4956)
  hydrogen bonds       : bond        0.18241 / 14.58 (  429)
  hydrogen bonds       : angle       7.48647 /  6.10 ( 1269)

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

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

  1968 Ramachandran restraints generated.
    984 Oldfield, 0 Emsley, 984 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  1968 Ramachandran restraints generated.
    984 Oldfield, 0 Emsley, 984 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Residue SER   23 is missing expected H atoms. Skipping.
Residue SER   25 is missing expected H atoms. Skipping.
Residue ALA   26 is missing expected H atoms. Skipping.
Residue LEU   29 is missing expected H atoms. Skipping.
Residue LYS   30 is missing expected H atoms. Skipping.
Residue LEU   36 is missing expected H atoms. Skipping.
Residue VAL   38 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue TYR   42 is missing expected H atoms. Skipping.
Residue ALA   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 TYR   49 is missing expected H atoms. Skipping.
Residue ALA   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   54 is missing expected H atoms. Skipping.
Residue LEU   58 is missing expected H atoms. Skipping.
Residue VAL   59 is missing expected H atoms. Skipping.
Residue ALA   60 is missing expected H atoms. Skipping.
Residue VAL   61 is missing expected H atoms. Skipping.
Residue TYR   62 is missing expected H atoms. Skipping.
Residue TYR   63 is missing expected H atoms. Skipping.
Residue THR   64 is missing expected H atoms. Skipping.
Residue ALA   67 is missing expected H atoms. Skipping.
Residue LEU   68 is missing expected H atoms. Skipping.
Residue TYR   70 is missing expected H atoms. Skipping.
Residue LEU   71 is missing expected H atoms. Skipping.
Residue LYS   72 is missing expected H atoms. Skipping.
Residue MET   73 is missing expected H atoms. Skipping.
Residue ALA   79 is missing expected H atoms. Skipping.
Residue LEU   80 is missing expected H atoms. Skipping.
Residue ALA   81 is missing expected H atoms. Skipping.
Residue ALA   86 is missing expected H atoms. Skipping.
Residue LEU   87 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue SER   93 is missing expected H atoms. Skipping.
Residue VAL   94 is missing expected H atoms. Skipping.
Residue LYS   95 is missing expected H atoms. Skipping.
Residue ALA   96 is missing expected H atoms. Skipping.
Residue LEU  100 is missing expected H atoms. Skipping.
Residue LEU  105 is missing expected H atoms. Skipping.
Residue MET  107 is missing expected H atoms. Skipping.
Residue SER  109 is missing expected H atoms. Skipping.
Residue TYR  110 is missing expected H atoms. Skipping.
Residue ALA  113 is missing expected H atoms. Skipping.
Residue ILE  114 is missing expected H atoms. Skipping.
Residue ALA  115 is missing expected H atoms. Skipping.
Residue LEU  117 is missing expected H atoms. Skipping.
Residue ALA  120 is missing expected H atoms. Skipping.
Residue TYR  121 is missing expected H atoms. Skipping.
Residue SER  122 is missing expected H atoms. Skipping.
Residue LEU  123 is missing expected H atoms. Skipping.
Residue ALA  124 is missing expected H atoms. Skipping.
Residue LYS  125 is missing expected H atoms. Skipping.
Residue LEU  129 is missing expected H atoms. Skipping.
Residue ILE  135 is missing expected H atoms. Skipping.
Residue SER  137 is missing expected H atoms. Skipping.
Residue ALA  138 is missing expected H atoms. Skipping.
Residue LEU  139 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue ALA  142 is missing expected H atoms. Skipping.
Residue LYS  143 is missing expected H atoms. Skipping.
Residue LYS  144 is missing expected H atoms. Skipping.
Residue LYS  145 is missing expected H atoms. Skipping.
Residue SER  149 is missing expected H atoms. Skipping.
Residue ILE  150 is missing expected H atoms. Skipping.
Residue ILE  155 is missing expected H atoms. Skipping.
Residue SER  159 is missing expected H atoms. Skipping.
Residue LEU  161 is missing expected H atoms. Skipping.
Residue SER  163 is missing expected H atoms. Skipping.
Residue TYR  164 is missing expected H atoms. Skipping.
Residue LEU  165 is missing expected H atoms. Skipping.
Residue SER  166 is missing expected H atoms. Skipping.
Residue LEU  168 is missing expected H atoms. Skipping.
Residue ILE  169 is missing expected H atoms. Skipping.
Residue ALA  170 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue LEU  177 is missing expected H atoms. Skipping.
Residue SER  191 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue ALA  195 is missing expected H atoms. Skipping.
Residue ALA  198 is missing expected H atoms. Skipping.
Residue ILE  200 is missing expected H atoms. Skipping.
Residue ALA  202 is missing expected H atoms. Skipping.
Residue LYS  203 is missing expected H atoms. Skipping.
Residue LYS  206 is missing expected H atoms. Skipping.
Residue TYR  207 is missing expected H atoms. Skipping.
Residue MET  208 is missing expected H atoms. Skipping.
Residue ALA  209 is missing expected H atoms. Skipping.
Residue MET  211 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue SER  216 is missing expected H atoms. Skipping.
Residue VAL  218 is missing expected H atoms. Skipping.
Residue LYS  221 is missing expected H atoms. Skipping.
Residue LYS  223 is missing expected H atoms. Skipping.
Residue LYS  224 is missing expected H atoms. Skipping.
Residue ILE  227 is missing expected H atoms. Skipping.
Residue TYR  230 is missing expected H atoms. Skipping.
Residue LEU  231 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue ILE  235 is missing expected H atoms. Skipping.
Residue SER  236 is missing expected H atoms. Skipping.
Residue LEU  239 is missing expected H atoms. Skipping.
Residue MET  240 is missing expected H atoms. Skipping.
Residue ILE  245 is missing expected H atoms. Skipping.
Residue THR  246 is missing expected H atoms. Skipping.
Residue SER  248 is missing expected H atoms. Skipping.
Residue ILE  250 is missing expected H atoms. Skipping.
Residue THR  251 is missing expected H atoms. Skipping.
Residue TYR  252 is missing expected H atoms. Skipping.
Residue LYS  255 is missing expected H atoms. Skipping.
Residue ILE  257 is missing expected H atoms. Skipping.
Residue LEU  261 is missing expected H atoms. Skipping.
Residue VAL  264 is missing expected H atoms. Skipping.
Residue VAL  270 is missing expected H atoms. Skipping.
Residue THR  271 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue LEU  275 is missing expected H atoms. Skipping.
Residue THR  276 is missing expected H atoms. Skipping.
Residue LEU  280 is missing expected H atoms. Skipping.
Residue ILE  281 is missing expected H atoms. Skipping.
Residue LEU  284 is missing expected H atoms. Skipping.
Residue ALA  285 is missing expected H atoms. Skipping.
Residue MET  286 is missing expected H atoms. Skipping.
Residue LYS  287 is missing expected H atoms. Skipping.
Residue VAL  289 is missing expected H atoms. Skipping.
Residue ILE  290 is missing expected H atoms. Skipping.
Residue ALA  292 is missing expected H atoms. Skipping.
Residue ILE  294 is missing expected H atoms. Skipping.
Residue SER  295 is missing expected H atoms. Skipping.
Residue VAL  300 is missing expected H atoms. Skipping.
Residue SER   23 is missing expected H atoms. Skipping.
Residue SER   25 is missing expected H atoms. Skipping.
Residue ALA   26 is missing expected H atoms. Skipping.
Residue LEU   29 is missing expected H atoms. Skipping.
Residue LYS   30 is missing expected H atoms. Skipping.
Residue LEU   36 is missing expected H atoms. Skipping.
Residue VAL   38 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue TYR   42 is missing expected H atoms. Skipping.
Residue ALA   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 TYR   49 is missing expected H atoms. Skipping.
Residue ALA   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   54 is missing expected H atoms. Skipping.
Residue LEU   58 is missing expected H atoms. Skipping.
Residue VAL   59 is missing expected H atoms. Skipping.
Residue ALA   60 is missing expected H atoms. Skipping.
Residue VAL   61 is missing expected H atoms. Skipping.
Residue TYR   62 is missing expected H atoms. Skipping.
Residue TYR   63 is missing expected H atoms. Skipping.
Residue THR   64 is missing expected H atoms. Skipping.
Residue ALA   67 is missing expected H atoms. Skipping.
Residue LEU   68 is missing expected H atoms. Skipping.
Residue TYR   70 is missing expected H atoms. Skipping.
Residue LEU   71 is missing expected H atoms. Skipping.
Residue LYS   72 is missing expected H atoms. Skipping.
Residue MET   73 is missing expected H atoms. Skipping.
Residue ALA   79 is missing expected H atoms. Skipping.
Residue LEU   80 is missing expected H atoms. Skipping.
Residue ALA   81 is missing expected H atoms. Skipping.
Residue ALA   86 is missing expected H atoms. Skipping.
Residue LEU   87 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue SER   93 is missing expected H atoms. Skipping.
Residue VAL   94 is missing expected H atoms. Skipping.
Residue LYS   95 is missing expected H atoms. Skipping.
Residue ALA   96 is missing expected H atoms. Skipping.
Residue LEU  100 is missing expected H atoms. Skipping.
Residue LEU  105 is missing expected H atoms. Skipping.
Residue MET  107 is missing expected H atoms. Skipping.
Residue SER  109 is missing expected H atoms. Skipping.
Residue TYR  110 is missing expected H atoms. Skipping.
Residue ALA  113 is missing expected H atoms. Skipping.
Residue ILE  114 is missing expected H atoms. Skipping.
Residue ALA  115 is missing expected H atoms. Skipping.
Residue LEU  117 is missing expected H atoms. Skipping.
Residue ALA  120 is missing expected H atoms. Skipping.
Residue TYR  121 is missing expected H atoms. Skipping.
Residue SER  122 is missing expected H atoms. Skipping.
Residue LEU  123 is missing expected H atoms. Skipping.
Residue ALA  124 is missing expected H atoms. Skipping.
Residue LYS  125 is missing expected H atoms. Skipping.
Residue LEU  129 is missing expected H atoms. Skipping.
Residue ILE  135 is missing expected H atoms. Skipping.
Residue SER  137 is missing expected H atoms. Skipping.
Residue ALA  138 is missing expected H atoms. Skipping.
Residue LEU  139 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue ALA  142 is missing expected H atoms. Skipping.
Residue LYS  143 is missing expected H atoms. Skipping.
Residue LYS  144 is missing expected H atoms. Skipping.
Residue LYS  145 is missing expected H atoms. Skipping.
Residue SER  149 is missing expected H atoms. Skipping.
Residue ILE  150 is missing expected H atoms. Skipping.
Residue ILE  155 is missing expected H atoms. Skipping.
Residue SER  159 is missing expected H atoms. Skipping.
Residue LEU  161 is missing expected H atoms. Skipping.
Residue SER  163 is missing expected H atoms. Skipping.
Residue TYR  164 is missing expected H atoms. Skipping.
Residue LEU  165 is missing expected H atoms. Skipping.
Residue SER  166 is missing expected H atoms. Skipping.
Residue LEU  168 is missing expected H atoms. Skipping.
Residue ILE  169 is missing expected H atoms. Skipping.
Residue ALA  170 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue LEU  177 is missing expected H atoms. Skipping.
Residue SER  191 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue ALA  195 is missing expected H atoms. Skipping.
Residue ALA  198 is missing expected H atoms. Skipping.
Residue ILE  200 is missing expected H atoms. Skipping.
Residue ALA  202 is missing expected H atoms. Skipping.
Residue LYS  203 is missing expected H atoms. Skipping.
Residue LYS  206 is missing expected H atoms. Skipping.
Residue TYR  207 is missing expected H atoms. Skipping.
Residue MET  208 is missing expected H atoms. Skipping.
Residue ALA  209 is missing expected H atoms. Skipping.
Residue MET  211 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue SER  216 is missing expected H atoms. Skipping.
Residue VAL  218 is missing expected H atoms. Skipping.
Residue LYS  221 is missing expected H atoms. Skipping.
Residue LYS  223 is missing expected H atoms. Skipping.
Residue LYS  224 is missing expected H atoms. Skipping.
Residue ILE  227 is missing expected H atoms. Skipping.
Residue TYR  230 is missing expected H atoms. Skipping.
Residue LEU  231 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue ILE  235 is missing expected H atoms. Skipping.
Residue SER  236 is missing expected H atoms. Skipping.
Residue LEU  239 is missing expected H atoms. Skipping.
Residue MET  240 is missing expected H atoms. Skipping.
Residue ILE  245 is missing expected H atoms. Skipping.
Residue THR  246 is missing expected H atoms. Skipping.
Residue SER  248 is missing expected H atoms. Skipping.
Residue ILE  250 is missing expected H atoms. Skipping.
Residue THR  251 is missing expected H atoms. Skipping.
Residue TYR  252 is missing expected H atoms. Skipping.
Residue LYS  255 is missing expected H atoms. Skipping.
Residue ILE  257 is missing expected H atoms. Skipping.
Residue LEU  261 is missing expected H atoms. Skipping.
Residue VAL  264 is missing expected H atoms. Skipping.
Residue VAL  270 is missing expected H atoms. Skipping.
Residue THR  271 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue LEU  275 is missing expected H atoms. Skipping.
Residue THR  276 is missing expected H atoms. Skipping.
Residue LEU  280 is missing expected H atoms. Skipping.
Residue ILE  281 is missing expected H atoms. Skipping.
Residue LEU  284 is missing expected H atoms. Skipping.
Residue ALA  285 is missing expected H atoms. Skipping.
Residue MET  286 is missing expected H atoms. Skipping.
Residue LYS  287 is missing expected H atoms. Skipping.
Residue VAL  289 is missing expected H atoms. Skipping.
Residue ILE  290 is missing expected H atoms. Skipping.
Residue ALA  292 is missing expected H atoms. Skipping.
Residue ILE  294 is missing expected H atoms. Skipping.
Residue SER  295 is missing expected H atoms. Skipping.
Residue VAL  300 is missing expected H atoms. Skipping.
Residue LEU   30 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 LEU   34 is missing expected H atoms. Skipping.
Residue THR   35 is missing expected H atoms. Skipping.
Residue SER   37 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 SER   42 is missing expected H atoms. Skipping.
Residue LEU   43 is missing expected H atoms. Skipping.
Residue SER   44 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue THR   50 is missing expected H atoms. Skipping.
Residue LEU   51 is missing expected H atoms. Skipping.
Residue SER   52 is missing expected H atoms. Skipping.
Residue ALA   55 is missing expected H atoms. Skipping.
Residue SER   56 is missing expected H atoms. Skipping.
Residue SER   58 is missing expected H atoms. Skipping.
Residue VAL   59 is missing expected H atoms. Skipping.
Residue SER   60 is missing expected H atoms. Skipping.
Residue SER   61 is missing expected H atoms. Skipping.
Residue THR   62 is missing expected H atoms. Skipping.
Residue LEU   64 is missing expected H atoms. Skipping.
Residue ALA   65 is missing expected H atoms. Skipping.
Residue TYR   67 is missing expected H atoms. Skipping.
Residue LYS   70 is missing expected H atoms. Skipping.
Residue ALA   74 is missing expected H atoms. Skipping.
Residue LEU   77 is missing expected H atoms. Skipping.
Residue LEU   78 is missing expected H atoms. Skipping.
Residue ILE   79 is missing expected H atoms. Skipping.
Residue TYR   80 is missing expected H atoms. Skipping.
Residue ALA   82 is missing expected H atoms. Skipping.
Residue SER   83 is missing expected H atoms. Skipping.
Residue ALA   86 is missing expected H atoms. Skipping.
Residue THR   87 is missing expected H atoms. Skipping.
Residue ILE   89 is missing expected H atoms. Skipping.
Residue SER   94 is missing expected H atoms. Skipping.
Residue SER   96 is missing expected H atoms. Skipping.
Residue SER   98 is missing expected H atoms. Skipping.
Residue THR  100 is missing expected H atoms. Skipping.
Residue THR  103 is missing expected H atoms. Skipping.
Residue LEU  104 is missing expected H atoms. Skipping.
Residue THR  105 is missing expected H atoms. Skipping.
Residue ILE  106 is missing expected H atoms. Skipping.
Residue SER  107 is missing expected H atoms. Skipping.
Residue LEU  109 is missing expected H atoms. Skipping.
Residue ALA  115 is missing expected H atoms. Skipping.
Residue VAL  116 is missing expected H atoms. Skipping.
Residue TYR  117 is missing expected H atoms. Skipping.
Residue TYR  118 is missing expected H atoms. Skipping.
Residue TYR  122 is missing expected H atoms. Skipping.
Residue ALA  124 is missing expected H atoms. Skipping.
Residue THR  125 is missing expected H atoms. Skipping.
Residue TYR  126 is missing expected H atoms. Skipping.
Residue THR  127 is missing expected H atoms. Skipping.
Residue THR  132 is missing expected H atoms. Skipping.
Residue LYS  133 is missing expected H atoms. Skipping.
Residue LEU  134 is missing expected H atoms. Skipping.
Residue ILE  136 is missing expected H atoms. Skipping.
Residue LYS  137 is missing expected H atoms. Skipping.
Residue THR  139 is missing expected H atoms. Skipping.
Residue VAL  140 is missing expected H atoms. Skipping.
Residue ALA  141 is missing expected H atoms. Skipping.
Residue ALA  142 is missing expected H atoms. Skipping.
Residue SER  144 is missing expected H atoms. Skipping.
Residue VAL  145 is missing expected H atoms. Skipping.
Residue ILE  147 is missing expected H atoms. Skipping.
Residue SER  151 is missing expected H atoms. Skipping.
Residue LEU  155 is missing expected H atoms. Skipping.
Residue LYS  156 is missing expected H atoms. Skipping.
Residue SER  157 is missing expected H atoms. Skipping.
Residue THR  159 is missing expected H atoms. Skipping.
Residue ALA  160 is missing expected H atoms. Skipping.
Residue SER  161 is missing expected H atoms. Skipping.
Residue VAL  162 is missing expected H atoms. Skipping.
Residue VAL  163 is missing expected H atoms. Skipping.
Residue LEU  165 is missing expected H atoms. Skipping.
Residue LEU  166 is missing expected H atoms. Skipping.
Residue TYR  170 is missing expected H atoms. Skipping.
Residue ALA  174 is missing expected H atoms. Skipping.
Residue LYS  175 is missing expected H atoms. Skipping.
Residue VAL  176 is missing expected H atoms. Skipping.
Residue LYS  179 is missing expected H atoms. Skipping.
Residue VAL  180 is missing expected H atoms. Skipping.
Residue ALA  183 is missing expected H atoms. Skipping.
Residue LEU  184 is missing expected H atoms. Skipping.
Residue SER  186 is missing expected H atoms. Skipping.
Residue SER  189 is missing expected H atoms. Skipping.
Residue SER  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue THR  194 is missing expected H atoms. Skipping.
Residue SER  198 is missing expected H atoms. Skipping.
Residue LYS  199 is missing expected H atoms. Skipping.
Residue SER  201 is missing expected H atoms. Skipping.
Residue THR  202 is missing expected H atoms. Skipping.
Residue TYR  203 is missing expected H atoms. Skipping.
Residue SER  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue SER  206 is missing expected H atoms. Skipping.
Residue SER  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  209 is missing expected H atoms. Skipping.
Residue THR  210 is missing expected H atoms. Skipping.
Residue LEU  211 is missing expected H atoms. Skipping.
Residue SER  212 is missing expected H atoms. Skipping.
Residue LYS  213 is missing expected H atoms. Skipping.
Residue ALA  214 is missing expected H atoms. Skipping.
Residue TYR  216 is missing expected H atoms. Skipping.
Residue LYS  218 is missing expected H atoms. Skipping.
Residue LYS  220 is missing expected H atoms. Skipping.
Residue VAL  221 is missing expected H atoms. Skipping.
Residue TYR  222 is missing expected H atoms. Skipping.
Residue ALA  223 is missing expected H atoms. Skipping.
Residue VAL  226 is missing expected H atoms. Skipping.
Residue THR  227 is missing expected H atoms. Skipping.
Residue LEU  231 is missing expected H atoms. Skipping.
Residue SER  232 is missing expected H atoms. Skipping.
Residue SER  233 is missing expected H atoms. Skipping.
Residue VAL  235 is missing expected H atoms. Skipping.
Residue THR  236 is missing expected H atoms. Skipping.
Residue LYS  237 is missing expected H atoms. Skipping.
Residue SER  238 is missing expected H atoms. Skipping.
Residue LEU   12 is missing expected H atoms. Skipping.
Residue MET   13 is missing expected H atoms. Skipping.
Residue LYS   14 is missing expected H atoms. Skipping.
Residue THR   18 is missing expected H atoms. Skipping.
Residue LEU   19 is missing expected H atoms. Skipping.
Residue SER   20 is missing expected H atoms. Skipping.
Residue LEU   21 is missing expected H atoms. Skipping.
Residue THR   22 is missing expected H atoms. Skipping.
Residue ALA   24 is missing expected H atoms. Skipping.
Residue ILE   25 is missing expected H atoms. Skipping.
Residue SER   26 is missing expected H atoms. Skipping.
Residue SER   29 is missing expected H atoms. Skipping.
Residue VAL   30 is missing expected H atoms. Skipping.
Residue SER   31 is missing expected H atoms. Skipping.
Residue SER   32 is missing expected H atoms. Skipping.
Residue SER   34 is missing expected H atoms. Skipping.
Residue ALA   35 is missing expected H atoms. Skipping.
Residue ALA   36 is missing expected H atoms. Skipping.
Residue ILE   40 is missing expected H atoms. Skipping.
Residue SER   43 is missing expected H atoms. Skipping.
Residue SER   45 is missing expected H atoms. Skipping.
Residue LEU   48 is missing expected H atoms. Skipping.
Residue LEU   51 is missing expected H atoms. Skipping.
Residue THR   54 is missing expected H atoms. Skipping.
Residue TYR   55 is missing expected H atoms. Skipping.
Residue TYR   56 is missing expected H atoms. Skipping.
Residue SER   58 is missing expected H atoms. Skipping.
Residue LYS   59 is missing expected H atoms. Skipping.
Residue TYR   61 is missing expected H atoms. Skipping.
Residue TYR   64 is missing expected H atoms. Skipping.
Residue ALA   65 is missing expected H atoms. Skipping.
Residue VAL   66 is missing expected H atoms. Skipping.
Residue SER   67 is missing expected H atoms. Skipping.
Residue VAL   68 is missing expected H atoms. Skipping.
Residue LYS   69 is missing expected H atoms. Skipping.
Residue SER   70 is missing expected H atoms. Skipping.
Residue ILE   72 is missing expected H atoms. Skipping.
Residue THR   73 is missing expected H atoms. Skipping.
Residue ILE   74 is missing expected H atoms. Skipping.
Residue THR   78 is missing expected H atoms. Skipping.
Residue SER   79 is missing expected H atoms. Skipping.
Residue LYS   80 is missing expected H atoms. Skipping.
Residue SER   84 is missing expected H atoms. Skipping.
Residue LEU   85 is missing expected H atoms. Skipping.
Residue LEU   87 is missing expected H atoms. Skipping.
Residue SER   89 is missing expected H atoms. Skipping.
Residue VAL   90 is missing expected H atoms. Skipping.
Residue THR   91 is missing expected H atoms. Skipping.
Residue THR   95 is missing expected H atoms. Skipping.
Residue ALA   96 is missing expected H atoms. Skipping.
Residue VAL   97 is missing expected H atoms. Skipping.
Residue TYR   98 is missing expected H atoms. Skipping.
Residue TYR   99 is missing expected H atoms. Skipping.
Residue ALA  101 is missing expected H atoms. Skipping.
Residue ALA  103 is missing expected H atoms. Skipping.
Residue VAL  104 is missing expected H atoms. Skipping.
Residue ALA  105 is missing expected H atoms. Skipping.
Residue ALA  106 is missing expected H atoms. Skipping.
Residue SER  107 is missing expected H atoms. Skipping.
Residue TYR  110 is missing expected H atoms. Skipping.
Residue THR  115 is missing expected H atoms. Skipping.
Residue LEU  116 is missing expected H atoms. Skipping.
Residue VAL  117 is missing expected H atoms. Skipping.
Residue THR  118 is missing expected H atoms. Skipping.
Residue VAL  119 is missing expected H atoms. Skipping.
Residue SER  120 is missing expected H atoms. Skipping.
Residue SER  121 is missing expected H atoms. Skipping.
Residue ALA  122 is missing expected H atoms. Skipping.
Residue SER  123 is missing expected H atoms. Skipping.
Residue THR  124 is missing expected H atoms. Skipping.
Residue LYS  125 is missing expected H atoms. Skipping.
Residue SER  128 is missing expected H atoms. Skipping.
Residue VAL  129 is missing expected H atoms. Skipping.
Residue LEU  132 is missing expected H atoms. Skipping.
Residue ALA  133 is missing expected H atoms. Skipping.
Residue SER  135 is missing expected H atoms. Skipping.
Residue SER  136 is missing expected H atoms. Skipping.
Residue LYS  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue THR  139 is missing expected H atoms. Skipping.
Residue SER  140 is missing expected H atoms. Skipping.
Residue THR  143 is missing expected H atoms. Skipping.
Residue ALA  144 is missing expected H atoms. Skipping.
Residue ALA  145 is missing expected H atoms. Skipping.
Residue LEU  146 is missing expected H atoms. Skipping.
Residue LEU  149 is missing expected H atoms. Skipping.
Residue VAL  150 is missing expected H atoms. Skipping.
Residue LYS  151 is missing expected H atoms. Skipping.
Residue TYR  153 is missing expected H atoms. Skipping.
Residue VAL  158 is missing expected H atoms. Skipping.
Residue THR  159 is missing expected H atoms. Skipping.
Residue VAL  160 is missing expected H atoms. Skipping.
Residue SER  161 is missing expected H atoms. Skipping.
Residue SER  164 is missing expected H atoms. Skipping.
Residue ALA  166 is missing expected H atoms. Skipping.
Residue LEU  167 is missing expected H atoms. Skipping.
Residue THR  168 is missing expected H atoms. Skipping.
Residue SER  169 is missing expected H atoms. Skipping.
Residue VAL  171 is missing expected H atoms. Skipping.
Residue THR  173 is missing expected H atoms. Skipping.
Residue ALA  176 is missing expected H atoms. Skipping.
Residue VAL  177 is missing expected H atoms. Skipping.
Residue LEU  178 is missing expected H atoms. Skipping.
Residue SER  180 is missing expected H atoms. Skipping.
Residue SER  181 is missing expected H atoms. Skipping.
Residue LEU  183 is missing expected H atoms. Skipping.
Residue TYR  184 is missing expected H atoms. Skipping.
Residue SER  185 is missing expected H atoms. Skipping.
Residue LEU  186 is missing expected H atoms. Skipping.
Residue SER  187 is missing expected H atoms. Skipping.
Residue SER  188 is missing expected H atoms. Skipping.
Residue VAL  189 is missing expected H atoms. Skipping.
Residue VAL  190 is missing expected H atoms. Skipping.
Residue THR  191 is missing expected H atoms. Skipping.
Residue VAL  192 is missing expected H atoms. Skipping.
Residue SER  194 is missing expected H atoms. Skipping.
Residue SER  195 is missing expected H atoms. Skipping.
Residue SER  196 is missing expected H atoms. Skipping.
Residue LEU  197 is missing expected H atoms. Skipping.
Residue THR  199 is missing expected H atoms. Skipping.
Residue THR  201 is missing expected H atoms. Skipping.
Residue TYR  202 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue VAL  206 is missing expected H atoms. Skipping.
Residue LYS  209 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue THR  213 is missing expected H atoms. Skipping.
Residue LYS  214 is missing expected H atoms. Skipping.
Residue VAL  215 is missing expected H atoms. Skipping.
Residue LYS  217 is missing expected H atoms. Skipping.
Residue LYS  218 is missing expected H atoms. Skipping.
Residue VAL  219 is missing expected H atoms. Skipping.
Residue LYS  222 is missing expected H atoms. Skipping.
Residue SER  223 is missing expected H atoms. Skipping.
Evaluate side-chains
  13 residues out of total 858 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 0
    poor density    : 13
  time to evaluate  : 0.205 
Fit side-chains
  outliers start: 0
  outliers final: 0
  residues processed: 13
  average time/residue: 0.0296
  time to fit residues: 0.9893
Evaluate side-chains
  13 residues out of total 858 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 0
    poor density    : 13
  time to evaluate  : 0.172 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Rotamers are restrained with sigma=5.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 98
   random chunks:
   chunk 49 optimal weight:    7.9990
   chunk 97 optimal weight:    9.9990
   chunk 53 optimal weight:   10.0000
   chunk 5 optimal weight:   10.0000
   chunk 33 optimal weight:    6.9990
   chunk 65 optimal weight:    6.9990
   chunk 62 optimal weight:    6.9990
   chunk 51 optimal weight:   10.0000
   chunk 38 optimal weight:    7.9990
   chunk 61 optimal weight:    5.9990
   chunk 45 optimal weight:    6.9990
   overall best weight:    6.7990

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

No N/Q/H corrections needed this macrocycle
-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.4101 r_free = 0.4101 target = 0.097977 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 50)----------------|
| r_work = 0.3847 r_free = 0.3847 target = 0.080590 restraints weight = 92300.198|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 29)----------------|
| r_work = 0.3770 r_free = 0.3770 target = 0.079014 restraints weight = 93436.869|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 26)----------------|
| r_work = 0.3768 r_free = 0.3768 target = 0.078591 restraints weight = 96413.131|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 4; iterations = 27)----------------|
| r_work = 0.3763 r_free = 0.3763 target = 0.078271 restraints weight = 83697.352|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 5; iterations = 25)----------------|
| r_work = 0.3770 r_free = 0.3770 target = 0.078405 restraints weight = 75213.771|
|-----------------------------------------------------------------------------|
r_work (final): 0.3644
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.5569
moved from start:          0.5434

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.003   0.029   3968  Z= 0.259
  Angle     :  0.740   8.242   4956  Z= 0.468
  Chirality :  0.000   0.000      0
  Planarity :  0.004   0.021    992
  Dihedral  :  6.462  36.080    992
  Min Nonbonded Distance : 2.306

Molprobity Statistics.
  All-atom Clashscore : 2.79
  Ramachandran Plot:
    Outliers :  0.30 %
    Allowed  :  4.67 %
    Favored  : 95.02 %
  Rotamer:
    Outliers :  0.00 %
    Allowed  :  0.00 %
    Favored  :  0.00 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 2.27 %
    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 are not related in a simple way.
  whole: -0.40 (0.26), residues: 984
  helix:  0.75 (0.25), residues: 396
  sheet: -0.55 (0.36), residues: 182
  loop : -1.07 (0.30), residues: 406


Details of bonding type rmsd/Z
  covalent geometry    : bond        0.00345 /  0.26 ( 3968)
  covalent geometry    : angle       0.74038 /  0.47 ( 4956)
  hydrogen bonds       : bond        0.05602 /  4.38 (  429)
  hydrogen bonds       : angle       5.89120 /  4.84 ( 1269)

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

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

  1968 Ramachandran restraints generated.
    984 Oldfield, 0 Emsley, 984 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  1968 Ramachandran restraints generated.
    984 Oldfield, 0 Emsley, 984 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Residue SER   23 is missing expected H atoms. Skipping.
Residue SER   25 is missing expected H atoms. Skipping.
Residue ALA   26 is missing expected H atoms. Skipping.
Residue LEU   29 is missing expected H atoms. Skipping.
Residue LYS   30 is missing expected H atoms. Skipping.
Residue LEU   36 is missing expected H atoms. Skipping.
Residue VAL   38 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue TYR   42 is missing expected H atoms. Skipping.
Residue ALA   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 TYR   49 is missing expected H atoms. Skipping.
Residue ALA   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   54 is missing expected H atoms. Skipping.
Residue LEU   58 is missing expected H atoms. Skipping.
Residue VAL   59 is missing expected H atoms. Skipping.
Residue ALA   60 is missing expected H atoms. Skipping.
Residue VAL   61 is missing expected H atoms. Skipping.
Residue TYR   62 is missing expected H atoms. Skipping.
Residue TYR   63 is missing expected H atoms. Skipping.
Residue THR   64 is missing expected H atoms. Skipping.
Residue ALA   67 is missing expected H atoms. Skipping.
Residue LEU   68 is missing expected H atoms. Skipping.
Residue TYR   70 is missing expected H atoms. Skipping.
Residue LEU   71 is missing expected H atoms. Skipping.
Residue LYS   72 is missing expected H atoms. Skipping.
Residue MET   73 is missing expected H atoms. Skipping.
Residue ALA   79 is missing expected H atoms. Skipping.
Residue LEU   80 is missing expected H atoms. Skipping.
Residue ALA   81 is missing expected H atoms. Skipping.
Residue ALA   86 is missing expected H atoms. Skipping.
Residue LEU   87 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue SER   93 is missing expected H atoms. Skipping.
Residue VAL   94 is missing expected H atoms. Skipping.
Residue LYS   95 is missing expected H atoms. Skipping.
Residue ALA   96 is missing expected H atoms. Skipping.
Residue LEU  100 is missing expected H atoms. Skipping.
Residue LEU  105 is missing expected H atoms. Skipping.
Residue MET  107 is missing expected H atoms. Skipping.
Residue SER  109 is missing expected H atoms. Skipping.
Residue TYR  110 is missing expected H atoms. Skipping.
Residue ALA  113 is missing expected H atoms. Skipping.
Residue ILE  114 is missing expected H atoms. Skipping.
Residue ALA  115 is missing expected H atoms. Skipping.
Residue LEU  117 is missing expected H atoms. Skipping.
Residue ALA  120 is missing expected H atoms. Skipping.
Residue TYR  121 is missing expected H atoms. Skipping.
Residue SER  122 is missing expected H atoms. Skipping.
Residue LEU  123 is missing expected H atoms. Skipping.
Residue ALA  124 is missing expected H atoms. Skipping.
Residue LYS  125 is missing expected H atoms. Skipping.
Residue LEU  129 is missing expected H atoms. Skipping.
Residue ILE  135 is missing expected H atoms. Skipping.
Residue SER  137 is missing expected H atoms. Skipping.
Residue ALA  138 is missing expected H atoms. Skipping.
Residue LEU  139 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue ALA  142 is missing expected H atoms. Skipping.
Residue LYS  143 is missing expected H atoms. Skipping.
Residue LYS  144 is missing expected H atoms. Skipping.
Residue LYS  145 is missing expected H atoms. Skipping.
Residue SER  149 is missing expected H atoms. Skipping.
Residue ILE  150 is missing expected H atoms. Skipping.
Residue ILE  155 is missing expected H atoms. Skipping.
Residue SER  159 is missing expected H atoms. Skipping.
Residue LEU  161 is missing expected H atoms. Skipping.
Residue SER  163 is missing expected H atoms. Skipping.
Residue TYR  164 is missing expected H atoms. Skipping.
Residue LEU  165 is missing expected H atoms. Skipping.
Residue SER  166 is missing expected H atoms. Skipping.
Residue LEU  168 is missing expected H atoms. Skipping.
Residue ILE  169 is missing expected H atoms. Skipping.
Residue ALA  170 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue LEU  177 is missing expected H atoms. Skipping.
Residue SER  191 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue ALA  195 is missing expected H atoms. Skipping.
Residue ALA  198 is missing expected H atoms. Skipping.
Residue ILE  200 is missing expected H atoms. Skipping.
Residue ALA  202 is missing expected H atoms. Skipping.
Residue LYS  203 is missing expected H atoms. Skipping.
Residue LYS  206 is missing expected H atoms. Skipping.
Residue TYR  207 is missing expected H atoms. Skipping.
Residue MET  208 is missing expected H atoms. Skipping.
Residue ALA  209 is missing expected H atoms. Skipping.
Residue MET  211 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue SER  216 is missing expected H atoms. Skipping.
Residue VAL  218 is missing expected H atoms. Skipping.
Residue LYS  221 is missing expected H atoms. Skipping.
Residue LYS  223 is missing expected H atoms. Skipping.
Residue LYS  224 is missing expected H atoms. Skipping.
Residue ILE  227 is missing expected H atoms. Skipping.
Residue TYR  230 is missing expected H atoms. Skipping.
Residue LEU  231 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue ILE  235 is missing expected H atoms. Skipping.
Residue SER  236 is missing expected H atoms. Skipping.
Residue LEU  239 is missing expected H atoms. Skipping.
Residue MET  240 is missing expected H atoms. Skipping.
Residue ILE  245 is missing expected H atoms. Skipping.
Residue THR  246 is missing expected H atoms. Skipping.
Residue SER  248 is missing expected H atoms. Skipping.
Residue ILE  250 is missing expected H atoms. Skipping.
Residue THR  251 is missing expected H atoms. Skipping.
Residue TYR  252 is missing expected H atoms. Skipping.
Residue LYS  255 is missing expected H atoms. Skipping.
Residue ILE  257 is missing expected H atoms. Skipping.
Residue LEU  261 is missing expected H atoms. Skipping.
Residue VAL  264 is missing expected H atoms. Skipping.
Residue VAL  270 is missing expected H atoms. Skipping.
Residue THR  271 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue LEU  275 is missing expected H atoms. Skipping.
Residue THR  276 is missing expected H atoms. Skipping.
Residue LEU  280 is missing expected H atoms. Skipping.
Residue ILE  281 is missing expected H atoms. Skipping.
Residue LEU  284 is missing expected H atoms. Skipping.
Residue ALA  285 is missing expected H atoms. Skipping.
Residue MET  286 is missing expected H atoms. Skipping.
Residue LYS  287 is missing expected H atoms. Skipping.
Residue VAL  289 is missing expected H atoms. Skipping.
Residue ILE  290 is missing expected H atoms. Skipping.
Residue ALA  292 is missing expected H atoms. Skipping.
Residue ILE  294 is missing expected H atoms. Skipping.
Residue SER  295 is missing expected H atoms. Skipping.
Residue VAL  300 is missing expected H atoms. Skipping.
Residue SER   23 is missing expected H atoms. Skipping.
Residue SER   25 is missing expected H atoms. Skipping.
Residue ALA   26 is missing expected H atoms. Skipping.
Residue LEU   29 is missing expected H atoms. Skipping.
Residue LYS   30 is missing expected H atoms. Skipping.
Residue LEU   36 is missing expected H atoms. Skipping.
Residue VAL   38 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue TYR   42 is missing expected H atoms. Skipping.
Residue ALA   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 TYR   49 is missing expected H atoms. Skipping.
Residue ALA   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   54 is missing expected H atoms. Skipping.
Residue LEU   58 is missing expected H atoms. Skipping.
Residue VAL   59 is missing expected H atoms. Skipping.
Residue ALA   60 is missing expected H atoms. Skipping.
Residue VAL   61 is missing expected H atoms. Skipping.
Residue TYR   62 is missing expected H atoms. Skipping.
Residue TYR   63 is missing expected H atoms. Skipping.
Residue THR   64 is missing expected H atoms. Skipping.
Residue ALA   67 is missing expected H atoms. Skipping.
Residue LEU   68 is missing expected H atoms. Skipping.
Residue TYR   70 is missing expected H atoms. Skipping.
Residue LEU   71 is missing expected H atoms. Skipping.
Residue LYS   72 is missing expected H atoms. Skipping.
Residue MET   73 is missing expected H atoms. Skipping.
Residue ALA   79 is missing expected H atoms. Skipping.
Residue LEU   80 is missing expected H atoms. Skipping.
Residue ALA   81 is missing expected H atoms. Skipping.
Residue ALA   86 is missing expected H atoms. Skipping.
Residue LEU   87 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue SER   93 is missing expected H atoms. Skipping.
Residue VAL   94 is missing expected H atoms. Skipping.
Residue LYS   95 is missing expected H atoms. Skipping.
Residue ALA   96 is missing expected H atoms. Skipping.
Residue LEU  100 is missing expected H atoms. Skipping.
Residue LEU  105 is missing expected H atoms. Skipping.
Residue MET  107 is missing expected H atoms. Skipping.
Residue SER  109 is missing expected H atoms. Skipping.
Residue TYR  110 is missing expected H atoms. Skipping.
Residue ALA  113 is missing expected H atoms. Skipping.
Residue ILE  114 is missing expected H atoms. Skipping.
Residue ALA  115 is missing expected H atoms. Skipping.
Residue LEU  117 is missing expected H atoms. Skipping.
Residue ALA  120 is missing expected H atoms. Skipping.
Residue TYR  121 is missing expected H atoms. Skipping.
Residue SER  122 is missing expected H atoms. Skipping.
Residue LEU  123 is missing expected H atoms. Skipping.
Residue ALA  124 is missing expected H atoms. Skipping.
Residue LYS  125 is missing expected H atoms. Skipping.
Residue LEU  129 is missing expected H atoms. Skipping.
Residue ILE  135 is missing expected H atoms. Skipping.
Residue SER  137 is missing expected H atoms. Skipping.
Residue ALA  138 is missing expected H atoms. Skipping.
Residue LEU  139 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue ALA  142 is missing expected H atoms. Skipping.
Residue LYS  143 is missing expected H atoms. Skipping.
Residue LYS  144 is missing expected H atoms. Skipping.
Residue LYS  145 is missing expected H atoms. Skipping.
Residue SER  149 is missing expected H atoms. Skipping.
Residue ILE  150 is missing expected H atoms. Skipping.
Residue ILE  155 is missing expected H atoms. Skipping.
Residue SER  159 is missing expected H atoms. Skipping.
Residue LEU  161 is missing expected H atoms. Skipping.
Residue SER  163 is missing expected H atoms. Skipping.
Residue TYR  164 is missing expected H atoms. Skipping.
Residue LEU  165 is missing expected H atoms. Skipping.
Residue SER  166 is missing expected H atoms. Skipping.
Residue LEU  168 is missing expected H atoms. Skipping.
Residue ILE  169 is missing expected H atoms. Skipping.
Residue ALA  170 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue LEU  177 is missing expected H atoms. Skipping.
Residue SER  191 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue ALA  195 is missing expected H atoms. Skipping.
Residue ALA  198 is missing expected H atoms. Skipping.
Residue ILE  200 is missing expected H atoms. Skipping.
Residue ALA  202 is missing expected H atoms. Skipping.
Residue LYS  203 is missing expected H atoms. Skipping.
Residue LYS  206 is missing expected H atoms. Skipping.
Residue TYR  207 is missing expected H atoms. Skipping.
Residue MET  208 is missing expected H atoms. Skipping.
Residue ALA  209 is missing expected H atoms. Skipping.
Residue MET  211 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue SER  216 is missing expected H atoms. Skipping.
Residue VAL  218 is missing expected H atoms. Skipping.
Residue LYS  221 is missing expected H atoms. Skipping.
Residue LYS  223 is missing expected H atoms. Skipping.
Residue LYS  224 is missing expected H atoms. Skipping.
Residue ILE  227 is missing expected H atoms. Skipping.
Residue TYR  230 is missing expected H atoms. Skipping.
Residue LEU  231 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue ILE  235 is missing expected H atoms. Skipping.
Residue SER  236 is missing expected H atoms. Skipping.
Residue LEU  239 is missing expected H atoms. Skipping.
Residue MET  240 is missing expected H atoms. Skipping.
Residue ILE  245 is missing expected H atoms. Skipping.
Residue THR  246 is missing expected H atoms. Skipping.
Residue SER  248 is missing expected H atoms. Skipping.
Residue ILE  250 is missing expected H atoms. Skipping.
Residue THR  251 is missing expected H atoms. Skipping.
Residue TYR  252 is missing expected H atoms. Skipping.
Residue LYS  255 is missing expected H atoms. Skipping.
Residue ILE  257 is missing expected H atoms. Skipping.
Residue LEU  261 is missing expected H atoms. Skipping.
Residue VAL  264 is missing expected H atoms. Skipping.
Residue VAL  270 is missing expected H atoms. Skipping.
Residue THR  271 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue LEU  275 is missing expected H atoms. Skipping.
Residue THR  276 is missing expected H atoms. Skipping.
Residue LEU  280 is missing expected H atoms. Skipping.
Residue ILE  281 is missing expected H atoms. Skipping.
Residue LEU  284 is missing expected H atoms. Skipping.
Residue ALA  285 is missing expected H atoms. Skipping.
Residue MET  286 is missing expected H atoms. Skipping.
Residue LYS  287 is missing expected H atoms. Skipping.
Residue VAL  289 is missing expected H atoms. Skipping.
Residue ILE  290 is missing expected H atoms. Skipping.
Residue ALA  292 is missing expected H atoms. Skipping.
Residue ILE  294 is missing expected H atoms. Skipping.
Residue SER  295 is missing expected H atoms. Skipping.
Residue VAL  300 is missing expected H atoms. Skipping.
Residue LEU   30 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 LEU   34 is missing expected H atoms. Skipping.
Residue THR   35 is missing expected H atoms. Skipping.
Residue SER   37 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 SER   42 is missing expected H atoms. Skipping.
Residue LEU   43 is missing expected H atoms. Skipping.
Residue SER   44 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue THR   50 is missing expected H atoms. Skipping.
Residue LEU   51 is missing expected H atoms. Skipping.
Residue SER   52 is missing expected H atoms. Skipping.
Residue ALA   55 is missing expected H atoms. Skipping.
Residue SER   56 is missing expected H atoms. Skipping.
Residue SER   58 is missing expected H atoms. Skipping.
Residue VAL   59 is missing expected H atoms. Skipping.
Residue SER   60 is missing expected H atoms. Skipping.
Residue SER   61 is missing expected H atoms. Skipping.
Residue THR   62 is missing expected H atoms. Skipping.
Residue LEU   64 is missing expected H atoms. Skipping.
Residue ALA   65 is missing expected H atoms. Skipping.
Residue TYR   67 is missing expected H atoms. Skipping.
Residue LYS   70 is missing expected H atoms. Skipping.
Residue ALA   74 is missing expected H atoms. Skipping.
Residue LEU   77 is missing expected H atoms. Skipping.
Residue LEU   78 is missing expected H atoms. Skipping.
Residue ILE   79 is missing expected H atoms. Skipping.
Residue TYR   80 is missing expected H atoms. Skipping.
Residue ALA   82 is missing expected H atoms. Skipping.
Residue SER   83 is missing expected H atoms. Skipping.
Residue ALA   86 is missing expected H atoms. Skipping.
Residue THR   87 is missing expected H atoms. Skipping.
Residue ILE   89 is missing expected H atoms. Skipping.
Residue SER   94 is missing expected H atoms. Skipping.
Residue SER   96 is missing expected H atoms. Skipping.
Residue SER   98 is missing expected H atoms. Skipping.
Residue THR  100 is missing expected H atoms. Skipping.
Residue THR  103 is missing expected H atoms. Skipping.
Residue LEU  104 is missing expected H atoms. Skipping.
Residue THR  105 is missing expected H atoms. Skipping.
Residue ILE  106 is missing expected H atoms. Skipping.
Residue SER  107 is missing expected H atoms. Skipping.
Residue LEU  109 is missing expected H atoms. Skipping.
Residue ALA  115 is missing expected H atoms. Skipping.
Residue VAL  116 is missing expected H atoms. Skipping.
Residue TYR  117 is missing expected H atoms. Skipping.
Residue TYR  118 is missing expected H atoms. Skipping.
Residue TYR  122 is missing expected H atoms. Skipping.
Residue ALA  124 is missing expected H atoms. Skipping.
Residue THR  125 is missing expected H atoms. Skipping.
Residue TYR  126 is missing expected H atoms. Skipping.
Residue THR  127 is missing expected H atoms. Skipping.
Residue THR  132 is missing expected H atoms. Skipping.
Residue LYS  133 is missing expected H atoms. Skipping.
Residue LEU  134 is missing expected H atoms. Skipping.
Residue ILE  136 is missing expected H atoms. Skipping.
Residue LYS  137 is missing expected H atoms. Skipping.
Residue THR  139 is missing expected H atoms. Skipping.
Residue VAL  140 is missing expected H atoms. Skipping.
Residue ALA  141 is missing expected H atoms. Skipping.
Residue ALA  142 is missing expected H atoms. Skipping.
Residue SER  144 is missing expected H atoms. Skipping.
Residue VAL  145 is missing expected H atoms. Skipping.
Residue ILE  147 is missing expected H atoms. Skipping.
Residue SER  151 is missing expected H atoms. Skipping.
Residue LEU  155 is missing expected H atoms. Skipping.
Residue LYS  156 is missing expected H atoms. Skipping.
Residue SER  157 is missing expected H atoms. Skipping.
Residue THR  159 is missing expected H atoms. Skipping.
Residue ALA  160 is missing expected H atoms. Skipping.
Residue SER  161 is missing expected H atoms. Skipping.
Residue VAL  162 is missing expected H atoms. Skipping.
Residue VAL  163 is missing expected H atoms. Skipping.
Residue LEU  165 is missing expected H atoms. Skipping.
Residue LEU  166 is missing expected H atoms. Skipping.
Residue TYR  170 is missing expected H atoms. Skipping.
Residue ALA  174 is missing expected H atoms. Skipping.
Residue LYS  175 is missing expected H atoms. Skipping.
Residue VAL  176 is missing expected H atoms. Skipping.
Residue LYS  179 is missing expected H atoms. Skipping.
Residue VAL  180 is missing expected H atoms. Skipping.
Residue ALA  183 is missing expected H atoms. Skipping.
Residue LEU  184 is missing expected H atoms. Skipping.
Residue SER  186 is missing expected H atoms. Skipping.
Residue SER  189 is missing expected H atoms. Skipping.
Residue SER  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue THR  194 is missing expected H atoms. Skipping.
Residue SER  198 is missing expected H atoms. Skipping.
Residue LYS  199 is missing expected H atoms. Skipping.
Residue SER  201 is missing expected H atoms. Skipping.
Residue THR  202 is missing expected H atoms. Skipping.
Residue TYR  203 is missing expected H atoms. Skipping.
Residue SER  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue SER  206 is missing expected H atoms. Skipping.
Residue SER  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  209 is missing expected H atoms. Skipping.
Residue THR  210 is missing expected H atoms. Skipping.
Residue LEU  211 is missing expected H atoms. Skipping.
Residue SER  212 is missing expected H atoms. Skipping.
Residue LYS  213 is missing expected H atoms. Skipping.
Residue ALA  214 is missing expected H atoms. Skipping.
Residue TYR  216 is missing expected H atoms. Skipping.
Residue LYS  218 is missing expected H atoms. Skipping.
Residue LYS  220 is missing expected H atoms. Skipping.
Residue VAL  221 is missing expected H atoms. Skipping.
Residue TYR  222 is missing expected H atoms. Skipping.
Residue ALA  223 is missing expected H atoms. Skipping.
Residue VAL  226 is missing expected H atoms. Skipping.
Residue THR  227 is missing expected H atoms. Skipping.
Residue LEU  231 is missing expected H atoms. Skipping.
Residue SER  232 is missing expected H atoms. Skipping.
Residue SER  233 is missing expected H atoms. Skipping.
Residue VAL  235 is missing expected H atoms. Skipping.
Residue THR  236 is missing expected H atoms. Skipping.
Residue LYS  237 is missing expected H atoms. Skipping.
Residue SER  238 is missing expected H atoms. Skipping.
Residue LEU   12 is missing expected H atoms. Skipping.
Residue MET   13 is missing expected H atoms. Skipping.
Residue LYS   14 is missing expected H atoms. Skipping.
Residue THR   18 is missing expected H atoms. Skipping.
Residue LEU   19 is missing expected H atoms. Skipping.
Residue SER   20 is missing expected H atoms. Skipping.
Residue LEU   21 is missing expected H atoms. Skipping.
Residue THR   22 is missing expected H atoms. Skipping.
Residue ALA   24 is missing expected H atoms. Skipping.
Residue ILE   25 is missing expected H atoms. Skipping.
Residue SER   26 is missing expected H atoms. Skipping.
Residue SER   29 is missing expected H atoms. Skipping.
Residue VAL   30 is missing expected H atoms. Skipping.
Residue SER   31 is missing expected H atoms. Skipping.
Residue SER   32 is missing expected H atoms. Skipping.
Residue SER   34 is missing expected H atoms. Skipping.
Residue ALA   35 is missing expected H atoms. Skipping.
Residue ALA   36 is missing expected H atoms. Skipping.
Residue ILE   40 is missing expected H atoms. Skipping.
Residue SER   43 is missing expected H atoms. Skipping.
Residue SER   45 is missing expected H atoms. Skipping.
Residue LEU   48 is missing expected H atoms. Skipping.
Residue LEU   51 is missing expected H atoms. Skipping.
Residue THR   54 is missing expected H atoms. Skipping.
Residue TYR   55 is missing expected H atoms. Skipping.
Residue TYR   56 is missing expected H atoms. Skipping.
Residue SER   58 is missing expected H atoms. Skipping.
Residue LYS   59 is missing expected H atoms. Skipping.
Residue TYR   61 is missing expected H atoms. Skipping.
Residue TYR   64 is missing expected H atoms. Skipping.
Residue ALA   65 is missing expected H atoms. Skipping.
Residue VAL   66 is missing expected H atoms. Skipping.
Residue SER   67 is missing expected H atoms. Skipping.
Residue VAL   68 is missing expected H atoms. Skipping.
Residue LYS   69 is missing expected H atoms. Skipping.
Residue SER   70 is missing expected H atoms. Skipping.
Residue ILE   72 is missing expected H atoms. Skipping.
Residue THR   73 is missing expected H atoms. Skipping.
Residue ILE   74 is missing expected H atoms. Skipping.
Residue THR   78 is missing expected H atoms. Skipping.
Residue SER   79 is missing expected H atoms. Skipping.
Residue LYS   80 is missing expected H atoms. Skipping.
Residue SER   84 is missing expected H atoms. Skipping.
Residue LEU   85 is missing expected H atoms. Skipping.
Residue LEU   87 is missing expected H atoms. Skipping.
Residue SER   89 is missing expected H atoms. Skipping.
Residue VAL   90 is missing expected H atoms. Skipping.
Residue THR   91 is missing expected H atoms. Skipping.
Residue THR   95 is missing expected H atoms. Skipping.
Residue ALA   96 is missing expected H atoms. Skipping.
Residue VAL   97 is missing expected H atoms. Skipping.
Residue TYR   98 is missing expected H atoms. Skipping.
Residue TYR   99 is missing expected H atoms. Skipping.
Residue ALA  101 is missing expected H atoms. Skipping.
Residue ALA  103 is missing expected H atoms. Skipping.
Residue VAL  104 is missing expected H atoms. Skipping.
Residue ALA  105 is missing expected H atoms. Skipping.
Residue ALA  106 is missing expected H atoms. Skipping.
Residue SER  107 is missing expected H atoms. Skipping.
Residue TYR  110 is missing expected H atoms. Skipping.
Residue THR  115 is missing expected H atoms. Skipping.
Residue LEU  116 is missing expected H atoms. Skipping.
Residue VAL  117 is missing expected H atoms. Skipping.
Residue THR  118 is missing expected H atoms. Skipping.
Residue VAL  119 is missing expected H atoms. Skipping.
Residue SER  120 is missing expected H atoms. Skipping.
Residue SER  121 is missing expected H atoms. Skipping.
Residue ALA  122 is missing expected H atoms. Skipping.
Residue SER  123 is missing expected H atoms. Skipping.
Residue THR  124 is missing expected H atoms. Skipping.
Residue LYS  125 is missing expected H atoms. Skipping.
Residue SER  128 is missing expected H atoms. Skipping.
Residue VAL  129 is missing expected H atoms. Skipping.
Residue LEU  132 is missing expected H atoms. Skipping.
Residue ALA  133 is missing expected H atoms. Skipping.
Residue SER  135 is missing expected H atoms. Skipping.
Residue SER  136 is missing expected H atoms. Skipping.
Residue LYS  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue THR  139 is missing expected H atoms. Skipping.
Residue SER  140 is missing expected H atoms. Skipping.
Residue THR  143 is missing expected H atoms. Skipping.
Residue ALA  144 is missing expected H atoms. Skipping.
Residue ALA  145 is missing expected H atoms. Skipping.
Residue LEU  146 is missing expected H atoms. Skipping.
Residue LEU  149 is missing expected H atoms. Skipping.
Residue VAL  150 is missing expected H atoms. Skipping.
Residue LYS  151 is missing expected H atoms. Skipping.
Residue TYR  153 is missing expected H atoms. Skipping.
Residue VAL  158 is missing expected H atoms. Skipping.
Residue THR  159 is missing expected H atoms. Skipping.
Residue VAL  160 is missing expected H atoms. Skipping.
Residue SER  161 is missing expected H atoms. Skipping.
Residue SER  164 is missing expected H atoms. Skipping.
Residue ALA  166 is missing expected H atoms. Skipping.
Residue LEU  167 is missing expected H atoms. Skipping.
Residue THR  168 is missing expected H atoms. Skipping.
Residue SER  169 is missing expected H atoms. Skipping.
Residue VAL  171 is missing expected H atoms. Skipping.
Residue THR  173 is missing expected H atoms. Skipping.
Residue ALA  176 is missing expected H atoms. Skipping.
Residue VAL  177 is missing expected H atoms. Skipping.
Residue LEU  178 is missing expected H atoms. Skipping.
Residue SER  180 is missing expected H atoms. Skipping.
Residue SER  181 is missing expected H atoms. Skipping.
Residue LEU  183 is missing expected H atoms. Skipping.
Residue TYR  184 is missing expected H atoms. Skipping.
Residue SER  185 is missing expected H atoms. Skipping.
Residue LEU  186 is missing expected H atoms. Skipping.
Residue SER  187 is missing expected H atoms. Skipping.
Residue SER  188 is missing expected H atoms. Skipping.
Residue VAL  189 is missing expected H atoms. Skipping.
Residue VAL  190 is missing expected H atoms. Skipping.
Residue THR  191 is missing expected H atoms. Skipping.
Residue VAL  192 is missing expected H atoms. Skipping.
Residue SER  194 is missing expected H atoms. Skipping.
Residue SER  195 is missing expected H atoms. Skipping.
Residue SER  196 is missing expected H atoms. Skipping.
Residue LEU  197 is missing expected H atoms. Skipping.
Residue THR  199 is missing expected H atoms. Skipping.
Residue THR  201 is missing expected H atoms. Skipping.
Residue TYR  202 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue VAL  206 is missing expected H atoms. Skipping.
Residue LYS  209 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue THR  213 is missing expected H atoms. Skipping.
Residue LYS  214 is missing expected H atoms. Skipping.
Residue VAL  215 is missing expected H atoms. Skipping.
Residue LYS  217 is missing expected H atoms. Skipping.
Residue LYS  218 is missing expected H atoms. Skipping.
Residue VAL  219 is missing expected H atoms. Skipping.
Residue LYS  222 is missing expected H atoms. Skipping.
Residue SER  223 is missing expected H atoms. Skipping.
Evaluate side-chains
  13 residues out of total 858 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 0
    poor density    : 13
  time to evaluate  : 0.190 
Fit side-chains
  outliers start: 0
  outliers final: 0
  residues processed: 13
  average time/residue: 0.0275
  time to fit residues: 0.9312
Evaluate side-chains
  13 residues out of total 858 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 0
    poor density    : 13
  time to evaluate  : 0.190 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Rotamers are restrained with sigma=4.50
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 98
   random chunks:
   chunk 96 optimal weight:   20.0000
   chunk 28 optimal weight:   40.0000
   chunk 39 optimal weight:    6.9990
   chunk 72 optimal weight:    9.9990
   chunk 3 optimal weight:   50.0000
   chunk 62 optimal weight:   20.0000
   chunk 89 optimal weight:   30.0000
   chunk 17 optimal weight:   20.0000
   chunk 34 optimal weight:   20.0000
   chunk 26 optimal weight:   10.0000
   chunk 47 optimal weight:    9.9990
   overall best weight:   11.3994

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

No N/Q/H corrections needed this macrocycle
-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.3909 r_free = 0.3909 target = 0.085954 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 52)----------------|
| r_work = 0.3659 r_free = 0.3659 target = 0.067571 restraints weight = 99869.155|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 29)----------------|
| r_work = 0.3529 r_free = 0.3529 target = 0.064393 restraints weight = 119311.297|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 27)----------------|
| r_work = 0.3514 r_free = 0.3514 target = 0.063988 restraints weight = 128170.279|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 4; iterations = 25)----------------|
| r_work = 0.3524 r_free = 0.3524 target = 0.064146 restraints weight = 109009.039|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 5; iterations = 26)----------------|
| r_work = 0.3528 r_free = 0.3528 target = 0.064250 restraints weight = 93806.321|
|-----------------------------------------------------------------------------|
r_work (final): 0.3259
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.6418
moved from start:          1.2430

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.005   0.027   3968  Z= 0.403
  Angle     :  1.000   9.284   4956  Z= 0.643
  Chirality :  0.000   0.000      0
  Planarity :  0.006   0.028    992
  Dihedral  :  8.842  43.741    992
  Min Nonbonded Distance : 2.291

Molprobity Statistics.
  All-atom Clashscore : 20.90
  Ramachandran Plot:
    Outliers :  0.61 %
    Allowed  : 12.09 %
    Favored  : 87.30 %
  Rotamer:
    Outliers :  0.00 %
    Allowed  :  0.00 %
    Favored  :  0.00 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 2.27 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.64 %

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 are not related in a simple way.
  whole: -2.83 (0.25), residues: 984
  helix: -0.68 (0.24), residues: 415
  sheet: -2.06 (0.38), residues: 140
  loop : -3.05 (0.27), residues: 429


Details of bonding type rmsd/Z
  covalent geometry    : bond        0.00534 /  0.40 ( 3968)
  covalent geometry    : angle       1.00004 /  0.64 ( 4956)
  hydrogen bonds       : bond        0.07602 /  5.97 (  429)
  hydrogen bonds       : angle       8.72472 /  7.26 ( 1269)

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

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

  1968 Ramachandran restraints generated.
    984 Oldfield, 0 Emsley, 984 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  1968 Ramachandran restraints generated.
    984 Oldfield, 0 Emsley, 984 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Residue SER   23 is missing expected H atoms. Skipping.
Residue SER   25 is missing expected H atoms. Skipping.
Residue ALA   26 is missing expected H atoms. Skipping.
Residue LEU   29 is missing expected H atoms. Skipping.
Residue LYS   30 is missing expected H atoms. Skipping.
Residue LEU   36 is missing expected H atoms. Skipping.
Residue VAL   38 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue TYR   42 is missing expected H atoms. Skipping.
Residue ALA   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 TYR   49 is missing expected H atoms. Skipping.
Residue ALA   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   54 is missing expected H atoms. Skipping.
Residue LEU   58 is missing expected H atoms. Skipping.
Residue VAL   59 is missing expected H atoms. Skipping.
Residue ALA   60 is missing expected H atoms. Skipping.
Residue VAL   61 is missing expected H atoms. Skipping.
Residue TYR   62 is missing expected H atoms. Skipping.
Residue TYR   63 is missing expected H atoms. Skipping.
Residue THR   64 is missing expected H atoms. Skipping.
Residue ALA   67 is missing expected H atoms. Skipping.
Residue LEU   68 is missing expected H atoms. Skipping.
Residue TYR   70 is missing expected H atoms. Skipping.
Residue LEU   71 is missing expected H atoms. Skipping.
Residue LYS   72 is missing expected H atoms. Skipping.
Residue MET   73 is missing expected H atoms. Skipping.
Residue ALA   79 is missing expected H atoms. Skipping.
Residue LEU   80 is missing expected H atoms. Skipping.
Residue ALA   81 is missing expected H atoms. Skipping.
Residue ALA   86 is missing expected H atoms. Skipping.
Residue LEU   87 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue SER   93 is missing expected H atoms. Skipping.
Residue VAL   94 is missing expected H atoms. Skipping.
Residue LYS   95 is missing expected H atoms. Skipping.
Residue ALA   96 is missing expected H atoms. Skipping.
Residue LEU  100 is missing expected H atoms. Skipping.
Residue LEU  105 is missing expected H atoms. Skipping.
Residue MET  107 is missing expected H atoms. Skipping.
Residue SER  109 is missing expected H atoms. Skipping.
Residue TYR  110 is missing expected H atoms. Skipping.
Residue ALA  113 is missing expected H atoms. Skipping.
Residue ILE  114 is missing expected H atoms. Skipping.
Residue ALA  115 is missing expected H atoms. Skipping.
Residue LEU  117 is missing expected H atoms. Skipping.
Residue ALA  120 is missing expected H atoms. Skipping.
Residue TYR  121 is missing expected H atoms. Skipping.
Residue SER  122 is missing expected H atoms. Skipping.
Residue LEU  123 is missing expected H atoms. Skipping.
Residue ALA  124 is missing expected H atoms. Skipping.
Residue LYS  125 is missing expected H atoms. Skipping.
Residue LEU  129 is missing expected H atoms. Skipping.
Residue ILE  135 is missing expected H atoms. Skipping.
Residue SER  137 is missing expected H atoms. Skipping.
Residue ALA  138 is missing expected H atoms. Skipping.
Residue LEU  139 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue ALA  142 is missing expected H atoms. Skipping.
Residue LYS  143 is missing expected H atoms. Skipping.
Residue LYS  144 is missing expected H atoms. Skipping.
Residue LYS  145 is missing expected H atoms. Skipping.
Residue SER  149 is missing expected H atoms. Skipping.
Residue ILE  150 is missing expected H atoms. Skipping.
Residue ILE  155 is missing expected H atoms. Skipping.
Residue SER  159 is missing expected H atoms. Skipping.
Residue LEU  161 is missing expected H atoms. Skipping.
Residue SER  163 is missing expected H atoms. Skipping.
Residue TYR  164 is missing expected H atoms. Skipping.
Residue LEU  165 is missing expected H atoms. Skipping.
Residue SER  166 is missing expected H atoms. Skipping.
Residue LEU  168 is missing expected H atoms. Skipping.
Residue ILE  169 is missing expected H atoms. Skipping.
Residue ALA  170 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue LEU  177 is missing expected H atoms. Skipping.
Residue SER  191 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue ALA  195 is missing expected H atoms. Skipping.
Residue ALA  198 is missing expected H atoms. Skipping.
Residue ILE  200 is missing expected H atoms. Skipping.
Residue ALA  202 is missing expected H atoms. Skipping.
Residue LYS  203 is missing expected H atoms. Skipping.
Residue LYS  206 is missing expected H atoms. Skipping.
Residue TYR  207 is missing expected H atoms. Skipping.
Residue MET  208 is missing expected H atoms. Skipping.
Residue ALA  209 is missing expected H atoms. Skipping.
Residue MET  211 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue SER  216 is missing expected H atoms. Skipping.
Residue VAL  218 is missing expected H atoms. Skipping.
Residue LYS  221 is missing expected H atoms. Skipping.
Residue LYS  223 is missing expected H atoms. Skipping.
Residue LYS  224 is missing expected H atoms. Skipping.
Residue ILE  227 is missing expected H atoms. Skipping.
Residue TYR  230 is missing expected H atoms. Skipping.
Residue LEU  231 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue ILE  235 is missing expected H atoms. Skipping.
Residue SER  236 is missing expected H atoms. Skipping.
Residue LEU  239 is missing expected H atoms. Skipping.
Residue MET  240 is missing expected H atoms. Skipping.
Residue ILE  245 is missing expected H atoms. Skipping.
Residue THR  246 is missing expected H atoms. Skipping.
Residue SER  248 is missing expected H atoms. Skipping.
Residue ILE  250 is missing expected H atoms. Skipping.
Residue THR  251 is missing expected H atoms. Skipping.
Residue TYR  252 is missing expected H atoms. Skipping.
Residue LYS  255 is missing expected H atoms. Skipping.
Residue ILE  257 is missing expected H atoms. Skipping.
Residue LEU  261 is missing expected H atoms. Skipping.
Residue VAL  264 is missing expected H atoms. Skipping.
Residue VAL  270 is missing expected H atoms. Skipping.
Residue THR  271 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue LEU  275 is missing expected H atoms. Skipping.
Residue THR  276 is missing expected H atoms. Skipping.
Residue LEU  280 is missing expected H atoms. Skipping.
Residue ILE  281 is missing expected H atoms. Skipping.
Residue LEU  284 is missing expected H atoms. Skipping.
Residue ALA  285 is missing expected H atoms. Skipping.
Residue MET  286 is missing expected H atoms. Skipping.
Residue LYS  287 is missing expected H atoms. Skipping.
Residue VAL  289 is missing expected H atoms. Skipping.
Residue ILE  290 is missing expected H atoms. Skipping.
Residue ALA  292 is missing expected H atoms. Skipping.
Residue ILE  294 is missing expected H atoms. Skipping.
Residue SER  295 is missing expected H atoms. Skipping.
Residue VAL  300 is missing expected H atoms. Skipping.
Residue SER   23 is missing expected H atoms. Skipping.
Residue SER   25 is missing expected H atoms. Skipping.
Residue ALA   26 is missing expected H atoms. Skipping.
Residue LEU   29 is missing expected H atoms. Skipping.
Residue LYS   30 is missing expected H atoms. Skipping.
Residue LEU   36 is missing expected H atoms. Skipping.
Residue VAL   38 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue TYR   42 is missing expected H atoms. Skipping.
Residue ALA   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 TYR   49 is missing expected H atoms. Skipping.
Residue ALA   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   54 is missing expected H atoms. Skipping.
Residue LEU   58 is missing expected H atoms. Skipping.
Residue VAL   59 is missing expected H atoms. Skipping.
Residue ALA   60 is missing expected H atoms. Skipping.
Residue VAL   61 is missing expected H atoms. Skipping.
Residue TYR   62 is missing expected H atoms. Skipping.
Residue TYR   63 is missing expected H atoms. Skipping.
Residue THR   64 is missing expected H atoms. Skipping.
Residue ALA   67 is missing expected H atoms. Skipping.
Residue LEU   68 is missing expected H atoms. Skipping.
Residue TYR   70 is missing expected H atoms. Skipping.
Residue LEU   71 is missing expected H atoms. Skipping.
Residue LYS   72 is missing expected H atoms. Skipping.
Residue MET   73 is missing expected H atoms. Skipping.
Residue ALA   79 is missing expected H atoms. Skipping.
Residue LEU   80 is missing expected H atoms. Skipping.
Residue ALA   81 is missing expected H atoms. Skipping.
Residue ALA   86 is missing expected H atoms. Skipping.
Residue LEU   87 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue SER   93 is missing expected H atoms. Skipping.
Residue VAL   94 is missing expected H atoms. Skipping.
Residue LYS   95 is missing expected H atoms. Skipping.
Residue ALA   96 is missing expected H atoms. Skipping.
Residue LEU  100 is missing expected H atoms. Skipping.
Residue LEU  105 is missing expected H atoms. Skipping.
Residue MET  107 is missing expected H atoms. Skipping.
Residue SER  109 is missing expected H atoms. Skipping.
Residue TYR  110 is missing expected H atoms. Skipping.
Residue ALA  113 is missing expected H atoms. Skipping.
Residue ILE  114 is missing expected H atoms. Skipping.
Residue ALA  115 is missing expected H atoms. Skipping.
Residue LEU  117 is missing expected H atoms. Skipping.
Residue ALA  120 is missing expected H atoms. Skipping.
Residue TYR  121 is missing expected H atoms. Skipping.
Residue SER  122 is missing expected H atoms. Skipping.
Residue LEU  123 is missing expected H atoms. Skipping.
Residue ALA  124 is missing expected H atoms. Skipping.
Residue LYS  125 is missing expected H atoms. Skipping.
Residue LEU  129 is missing expected H atoms. Skipping.
Residue ILE  135 is missing expected H atoms. Skipping.
Residue SER  137 is missing expected H atoms. Skipping.
Residue ALA  138 is missing expected H atoms. Skipping.
Residue LEU  139 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue ALA  142 is missing expected H atoms. Skipping.
Residue LYS  143 is missing expected H atoms. Skipping.
Residue LYS  144 is missing expected H atoms. Skipping.
Residue LYS  145 is missing expected H atoms. Skipping.
Residue SER  149 is missing expected H atoms. Skipping.
Residue ILE  150 is missing expected H atoms. Skipping.
Residue ILE  155 is missing expected H atoms. Skipping.
Residue SER  159 is missing expected H atoms. Skipping.
Residue LEU  161 is missing expected H atoms. Skipping.
Residue SER  163 is missing expected H atoms. Skipping.
Residue TYR  164 is missing expected H atoms. Skipping.
Residue LEU  165 is missing expected H atoms. Skipping.
Residue SER  166 is missing expected H atoms. Skipping.
Residue LEU  168 is missing expected H atoms. Skipping.
Residue ILE  169 is missing expected H atoms. Skipping.
Residue ALA  170 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue LEU  177 is missing expected H atoms. Skipping.
Residue SER  191 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue ALA  195 is missing expected H atoms. Skipping.
Residue ALA  198 is missing expected H atoms. Skipping.
Residue ILE  200 is missing expected H atoms. Skipping.
Residue ALA  202 is missing expected H atoms. Skipping.
Residue LYS  203 is missing expected H atoms. Skipping.
Residue LYS  206 is missing expected H atoms. Skipping.
Residue TYR  207 is missing expected H atoms. Skipping.
Residue MET  208 is missing expected H atoms. Skipping.
Residue ALA  209 is missing expected H atoms. Skipping.
Residue MET  211 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue SER  216 is missing expected H atoms. Skipping.
Residue VAL  218 is missing expected H atoms. Skipping.
Residue LYS  221 is missing expected H atoms. Skipping.
Residue LYS  223 is missing expected H atoms. Skipping.
Residue LYS  224 is missing expected H atoms. Skipping.
Residue ILE  227 is missing expected H atoms. Skipping.
Residue TYR  230 is missing expected H atoms. Skipping.
Residue LEU  231 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue ILE  235 is missing expected H atoms. Skipping.
Residue SER  236 is missing expected H atoms. Skipping.
Residue LEU  239 is missing expected H atoms. Skipping.
Residue MET  240 is missing expected H atoms. Skipping.
Residue ILE  245 is missing expected H atoms. Skipping.
Residue THR  246 is missing expected H atoms. Skipping.
Residue SER  248 is missing expected H atoms. Skipping.
Residue ILE  250 is missing expected H atoms. Skipping.
Residue THR  251 is missing expected H atoms. Skipping.
Residue TYR  252 is missing expected H atoms. Skipping.
Residue LYS  255 is missing expected H atoms. Skipping.
Residue ILE  257 is missing expected H atoms. Skipping.
Residue LEU  261 is missing expected H atoms. Skipping.
Residue VAL  264 is missing expected H atoms. Skipping.
Residue VAL  270 is missing expected H atoms. Skipping.
Residue THR  271 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue LEU  275 is missing expected H atoms. Skipping.
Residue THR  276 is missing expected H atoms. Skipping.
Residue LEU  280 is missing expected H atoms. Skipping.
Residue ILE  281 is missing expected H atoms. Skipping.
Residue LEU  284 is missing expected H atoms. Skipping.
Residue ALA  285 is missing expected H atoms. Skipping.
Residue MET  286 is missing expected H atoms. Skipping.
Residue LYS  287 is missing expected H atoms. Skipping.
Residue VAL  289 is missing expected H atoms. Skipping.
Residue ILE  290 is missing expected H atoms. Skipping.
Residue ALA  292 is missing expected H atoms. Skipping.
Residue ILE  294 is missing expected H atoms. Skipping.
Residue SER  295 is missing expected H atoms. Skipping.
Residue VAL  300 is missing expected H atoms. Skipping.
Residue LEU   30 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 LEU   34 is missing expected H atoms. Skipping.
Residue THR   35 is missing expected H atoms. Skipping.
Residue SER   37 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 SER   42 is missing expected H atoms. Skipping.
Residue LEU   43 is missing expected H atoms. Skipping.
Residue SER   44 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue THR   50 is missing expected H atoms. Skipping.
Residue LEU   51 is missing expected H atoms. Skipping.
Residue SER   52 is missing expected H atoms. Skipping.
Residue ALA   55 is missing expected H atoms. Skipping.
Residue SER   56 is missing expected H atoms. Skipping.
Residue SER   58 is missing expected H atoms. Skipping.
Residue VAL   59 is missing expected H atoms. Skipping.
Residue SER   60 is missing expected H atoms. Skipping.
Residue SER   61 is missing expected H atoms. Skipping.
Residue THR   62 is missing expected H atoms. Skipping.
Residue LEU   64 is missing expected H atoms. Skipping.
Residue ALA   65 is missing expected H atoms. Skipping.
Residue TYR   67 is missing expected H atoms. Skipping.
Residue LYS   70 is missing expected H atoms. Skipping.
Residue ALA   74 is missing expected H atoms. Skipping.
Residue LEU   77 is missing expected H atoms. Skipping.
Residue LEU   78 is missing expected H atoms. Skipping.
Residue ILE   79 is missing expected H atoms. Skipping.
Residue TYR   80 is missing expected H atoms. Skipping.
Residue ALA   82 is missing expected H atoms. Skipping.
Residue SER   83 is missing expected H atoms. Skipping.
Residue ALA   86 is missing expected H atoms. Skipping.
Residue THR   87 is missing expected H atoms. Skipping.
Residue ILE   89 is missing expected H atoms. Skipping.
Residue SER   94 is missing expected H atoms. Skipping.
Residue SER   96 is missing expected H atoms. Skipping.
Residue SER   98 is missing expected H atoms. Skipping.
Residue THR  100 is missing expected H atoms. Skipping.
Residue THR  103 is missing expected H atoms. Skipping.
Residue LEU  104 is missing expected H atoms. Skipping.
Residue THR  105 is missing expected H atoms. Skipping.
Residue ILE  106 is missing expected H atoms. Skipping.
Residue SER  107 is missing expected H atoms. Skipping.
Residue LEU  109 is missing expected H atoms. Skipping.
Residue ALA  115 is missing expected H atoms. Skipping.
Residue VAL  116 is missing expected H atoms. Skipping.
Residue TYR  117 is missing expected H atoms. Skipping.
Residue TYR  118 is missing expected H atoms. Skipping.
Residue TYR  122 is missing expected H atoms. Skipping.
Residue ALA  124 is missing expected H atoms. Skipping.
Residue THR  125 is missing expected H atoms. Skipping.
Residue TYR  126 is missing expected H atoms. Skipping.
Residue THR  127 is missing expected H atoms. Skipping.
Residue THR  132 is missing expected H atoms. Skipping.
Residue LYS  133 is missing expected H atoms. Skipping.
Residue LEU  134 is missing expected H atoms. Skipping.
Residue ILE  136 is missing expected H atoms. Skipping.
Residue LYS  137 is missing expected H atoms. Skipping.
Residue THR  139 is missing expected H atoms. Skipping.
Residue VAL  140 is missing expected H atoms. Skipping.
Residue ALA  141 is missing expected H atoms. Skipping.
Residue ALA  142 is missing expected H atoms. Skipping.
Residue SER  144 is missing expected H atoms. Skipping.
Residue VAL  145 is missing expected H atoms. Skipping.
Residue ILE  147 is missing expected H atoms. Skipping.
Residue SER  151 is missing expected H atoms. Skipping.
Residue LEU  155 is missing expected H atoms. Skipping.
Residue LYS  156 is missing expected H atoms. Skipping.
Residue SER  157 is missing expected H atoms. Skipping.
Residue THR  159 is missing expected H atoms. Skipping.
Residue ALA  160 is missing expected H atoms. Skipping.
Residue SER  161 is missing expected H atoms. Skipping.
Residue VAL  162 is missing expected H atoms. Skipping.
Residue VAL  163 is missing expected H atoms. Skipping.
Residue LEU  165 is missing expected H atoms. Skipping.
Residue LEU  166 is missing expected H atoms. Skipping.
Residue TYR  170 is missing expected H atoms. Skipping.
Residue ALA  174 is missing expected H atoms. Skipping.
Residue LYS  175 is missing expected H atoms. Skipping.
Residue VAL  176 is missing expected H atoms. Skipping.
Residue LYS  179 is missing expected H atoms. Skipping.
Residue VAL  180 is missing expected H atoms. Skipping.
Residue ALA  183 is missing expected H atoms. Skipping.
Residue LEU  184 is missing expected H atoms. Skipping.
Residue SER  186 is missing expected H atoms. Skipping.
Residue SER  189 is missing expected H atoms. Skipping.
Residue SER  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue THR  194 is missing expected H atoms. Skipping.
Residue SER  198 is missing expected H atoms. Skipping.
Residue LYS  199 is missing expected H atoms. Skipping.
Residue SER  201 is missing expected H atoms. Skipping.
Residue THR  202 is missing expected H atoms. Skipping.
Residue TYR  203 is missing expected H atoms. Skipping.
Residue SER  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue SER  206 is missing expected H atoms. Skipping.
Residue SER  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  209 is missing expected H atoms. Skipping.
Residue THR  210 is missing expected H atoms. Skipping.
Residue LEU  211 is missing expected H atoms. Skipping.
Residue SER  212 is missing expected H atoms. Skipping.
Residue LYS  213 is missing expected H atoms. Skipping.
Residue ALA  214 is missing expected H atoms. Skipping.
Residue TYR  216 is missing expected H atoms. Skipping.
Residue LYS  218 is missing expected H atoms. Skipping.
Residue LYS  220 is missing expected H atoms. Skipping.
Residue VAL  221 is missing expected H atoms. Skipping.
Residue TYR  222 is missing expected H atoms. Skipping.
Residue ALA  223 is missing expected H atoms. Skipping.
Residue VAL  226 is missing expected H atoms. Skipping.
Residue THR  227 is missing expected H atoms. Skipping.
Residue LEU  231 is missing expected H atoms. Skipping.
Residue SER  232 is missing expected H atoms. Skipping.
Residue SER  233 is missing expected H atoms. Skipping.
Residue VAL  235 is missing expected H atoms. Skipping.
Residue THR  236 is missing expected H atoms. Skipping.
Residue LYS  237 is missing expected H atoms. Skipping.
Residue SER  238 is missing expected H atoms. Skipping.
Residue LEU   12 is missing expected H atoms. Skipping.
Residue MET   13 is missing expected H atoms. Skipping.
Residue LYS   14 is missing expected H atoms. Skipping.
Residue THR   18 is missing expected H atoms. Skipping.
Residue LEU   19 is missing expected H atoms. Skipping.
Residue SER   20 is missing expected H atoms. Skipping.
Residue LEU   21 is missing expected H atoms. Skipping.
Residue THR   22 is missing expected H atoms. Skipping.
Residue ALA   24 is missing expected H atoms. Skipping.
Residue ILE   25 is missing expected H atoms. Skipping.
Residue SER   26 is missing expected H atoms. Skipping.
Residue SER   29 is missing expected H atoms. Skipping.
Residue VAL   30 is missing expected H atoms. Skipping.
Residue SER   31 is missing expected H atoms. Skipping.
Residue SER   32 is missing expected H atoms. Skipping.
Residue SER   34 is missing expected H atoms. Skipping.
Residue ALA   35 is missing expected H atoms. Skipping.
Residue ALA   36 is missing expected H atoms. Skipping.
Residue ILE   40 is missing expected H atoms. Skipping.
Residue SER   43 is missing expected H atoms. Skipping.
Residue SER   45 is missing expected H atoms. Skipping.
Residue LEU   48 is missing expected H atoms. Skipping.
Residue LEU   51 is missing expected H atoms. Skipping.
Residue THR   54 is missing expected H atoms. Skipping.
Residue TYR   55 is missing expected H atoms. Skipping.
Residue TYR   56 is missing expected H atoms. Skipping.
Residue SER   58 is missing expected H atoms. Skipping.
Residue LYS   59 is missing expected H atoms. Skipping.
Residue TYR   61 is missing expected H atoms. Skipping.
Residue TYR   64 is missing expected H atoms. Skipping.
Residue ALA   65 is missing expected H atoms. Skipping.
Residue VAL   66 is missing expected H atoms. Skipping.
Residue SER   67 is missing expected H atoms. Skipping.
Residue VAL   68 is missing expected H atoms. Skipping.
Residue LYS   69 is missing expected H atoms. Skipping.
Residue SER   70 is missing expected H atoms. Skipping.
Residue ILE   72 is missing expected H atoms. Skipping.
Residue THR   73 is missing expected H atoms. Skipping.
Residue ILE   74 is missing expected H atoms. Skipping.
Residue THR   78 is missing expected H atoms. Skipping.
Residue SER   79 is missing expected H atoms. Skipping.
Residue LYS   80 is missing expected H atoms. Skipping.
Residue SER   84 is missing expected H atoms. Skipping.
Residue LEU   85 is missing expected H atoms. Skipping.
Residue LEU   87 is missing expected H atoms. Skipping.
Residue SER   89 is missing expected H atoms. Skipping.
Residue VAL   90 is missing expected H atoms. Skipping.
Residue THR   91 is missing expected H atoms. Skipping.
Residue THR   95 is missing expected H atoms. Skipping.
Residue ALA   96 is missing expected H atoms. Skipping.
Residue VAL   97 is missing expected H atoms. Skipping.
Residue TYR   98 is missing expected H atoms. Skipping.
Residue TYR   99 is missing expected H atoms. Skipping.
Residue ALA  101 is missing expected H atoms. Skipping.
Residue ALA  103 is missing expected H atoms. Skipping.
Residue VAL  104 is missing expected H atoms. Skipping.
Residue ALA  105 is missing expected H atoms. Skipping.
Residue ALA  106 is missing expected H atoms. Skipping.
Residue SER  107 is missing expected H atoms. Skipping.
Residue TYR  110 is missing expected H atoms. Skipping.
Residue THR  115 is missing expected H atoms. Skipping.
Residue LEU  116 is missing expected H atoms. Skipping.
Residue VAL  117 is missing expected H atoms. Skipping.
Residue THR  118 is missing expected H atoms. Skipping.
Residue VAL  119 is missing expected H atoms. Skipping.
Residue SER  120 is missing expected H atoms. Skipping.
Residue SER  121 is missing expected H atoms. Skipping.
Residue ALA  122 is missing expected H atoms. Skipping.
Residue SER  123 is missing expected H atoms. Skipping.
Residue THR  124 is missing expected H atoms. Skipping.
Residue LYS  125 is missing expected H atoms. Skipping.
Residue SER  128 is missing expected H atoms. Skipping.
Residue VAL  129 is missing expected H atoms. Skipping.
Residue LEU  132 is missing expected H atoms. Skipping.
Residue ALA  133 is missing expected H atoms. Skipping.
Residue SER  135 is missing expected H atoms. Skipping.
Residue SER  136 is missing expected H atoms. Skipping.
Residue LYS  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue THR  139 is missing expected H atoms. Skipping.
Residue SER  140 is missing expected H atoms. Skipping.
Residue THR  143 is missing expected H atoms. Skipping.
Residue ALA  144 is missing expected H atoms. Skipping.
Residue ALA  145 is missing expected H atoms. Skipping.
Residue LEU  146 is missing expected H atoms. Skipping.
Residue LEU  149 is missing expected H atoms. Skipping.
Residue VAL  150 is missing expected H atoms. Skipping.
Residue LYS  151 is missing expected H atoms. Skipping.
Residue TYR  153 is missing expected H atoms. Skipping.
Residue VAL  158 is missing expected H atoms. Skipping.
Residue THR  159 is missing expected H atoms. Skipping.
Residue VAL  160 is missing expected H atoms. Skipping.
Residue SER  161 is missing expected H atoms. Skipping.
Residue SER  164 is missing expected H atoms. Skipping.
Residue ALA  166 is missing expected H atoms. Skipping.
Residue LEU  167 is missing expected H atoms. Skipping.
Residue THR  168 is missing expected H atoms. Skipping.
Residue SER  169 is missing expected H atoms. Skipping.
Residue VAL  171 is missing expected H atoms. Skipping.
Residue THR  173 is missing expected H atoms. Skipping.
Residue ALA  176 is missing expected H atoms. Skipping.
Residue VAL  177 is missing expected H atoms. Skipping.
Residue LEU  178 is missing expected H atoms. Skipping.
Residue SER  180 is missing expected H atoms. Skipping.
Residue SER  181 is missing expected H atoms. Skipping.
Residue LEU  183 is missing expected H atoms. Skipping.
Residue TYR  184 is missing expected H atoms. Skipping.
Residue SER  185 is missing expected H atoms. Skipping.
Residue LEU  186 is missing expected H atoms. Skipping.
Residue SER  187 is missing expected H atoms. Skipping.
Residue SER  188 is missing expected H atoms. Skipping.
Residue VAL  189 is missing expected H atoms. Skipping.
Residue VAL  190 is missing expected H atoms. Skipping.
Residue THR  191 is missing expected H atoms. Skipping.
Residue VAL  192 is missing expected H atoms. Skipping.
Residue SER  194 is missing expected H atoms. Skipping.
Residue SER  195 is missing expected H atoms. Skipping.
Residue SER  196 is missing expected H atoms. Skipping.
Residue LEU  197 is missing expected H atoms. Skipping.
Residue THR  199 is missing expected H atoms. Skipping.
Residue THR  201 is missing expected H atoms. Skipping.
Residue TYR  202 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue VAL  206 is missing expected H atoms. Skipping.
Residue LYS  209 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue THR  213 is missing expected H atoms. Skipping.
Residue LYS  214 is missing expected H atoms. Skipping.
Residue VAL  215 is missing expected H atoms. Skipping.
Residue LYS  217 is missing expected H atoms. Skipping.
Residue LYS  218 is missing expected H atoms. Skipping.
Residue VAL  219 is missing expected H atoms. Skipping.
Residue LYS  222 is missing expected H atoms. Skipping.
Residue SER  223 is missing expected H atoms. Skipping.
Evaluate side-chains
  14 residues out of total 858 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 0
    poor density    : 14
  time to evaluate  : 0.199 
Fit side-chains
  outliers start: 0
  outliers final: 0
  residues processed: 14
  average time/residue: 0.0287
  time to fit residues: 1.0178
Evaluate side-chains
  14 residues out of total 858 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 0
    poor density    : 14
  time to evaluate  : 0.193 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Rotamers are restrained with sigma=4.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 98
   random chunks:
   chunk 12 optimal weight:   50.0000
   chunk 60 optimal weight:    9.9990
   chunk 8 optimal weight:   40.0000
   chunk 16 optimal weight:    9.9990
   chunk 42 optimal weight:    6.9990
   chunk 46 optimal weight:    2.9990
   chunk 52 optimal weight:   20.0000
   chunk 89 optimal weight:   20.0000
   chunk 35 optimal weight:   50.0000
   chunk 92 optimal weight:    5.9990
   chunk 51 optimal weight:   10.0000
   overall best weight:    7.1990

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

No N/Q/H corrections needed this macrocycle
-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.3889 r_free = 0.3889 target = 0.085435 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 42)----------------|
| r_work = 0.3637 r_free = 0.3637 target = 0.065438 restraints weight = 99786.541|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 28)----------------|
| r_work = 0.3539 r_free = 0.3539 target = 0.061935 restraints weight = 85838.060|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 24)----------------|
| r_work = 0.3520 r_free = 0.3520 target = 0.061668 restraints weight = 91031.305|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 4; iterations = 24)----------------|
| r_work = 0.3519 r_free = 0.3519 target = 0.061404 restraints weight = 102455.097|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 5; iterations = 27)----------------|
| r_work = 0.3518 r_free = 0.3518 target = 0.061341 restraints weight = 90915.196|
|-----------------------------------------------------------------------------|
r_work (final): 0.3178
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.6860
moved from start:          1.3325

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.003   0.023   3968  Z= 0.253
  Angle     :  0.669   6.182   4956  Z= 0.428
  Chirality :  0.000   0.000      0
  Planarity :  0.004   0.030    992
  Dihedral  :  6.813  45.482    992
  Min Nonbonded Distance : 2.359

Molprobity Statistics.
  All-atom Clashscore : 7.96
  Ramachandran Plot:
    Outliers :  0.41 %
    Allowed  : 12.50 %
    Favored  : 87.09 %
  Rotamer:
    Outliers :  0.00 %
    Allowed  :  0.00 %
    Favored  :  0.00 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 2.27 %
    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 are not related in a simple way.
  whole: -2.37 (0.27), residues: 984
  helix: -0.01 (0.26), residues: 407
  sheet: -2.34 (0.40), residues: 146
  loop : -2.88 (0.28), residues: 431


Details of bonding type rmsd/Z
  covalent geometry    : bond        0.00332 /  0.25 ( 3968)
  covalent geometry    : angle       0.66898 /  0.43 ( 4956)
  hydrogen bonds       : bond        0.05665 /  4.44 (  429)
  hydrogen bonds       : angle       7.34563 /  6.13 ( 1269)

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

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

  1968 Ramachandran restraints generated.
    984 Oldfield, 0 Emsley, 984 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  1968 Ramachandran restraints generated.
    984 Oldfield, 0 Emsley, 984 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Residue SER   23 is missing expected H atoms. Skipping.
Residue SER   25 is missing expected H atoms. Skipping.
Residue ALA   26 is missing expected H atoms. Skipping.
Residue LEU   29 is missing expected H atoms. Skipping.
Residue LYS   30 is missing expected H atoms. Skipping.
Residue LEU   36 is missing expected H atoms. Skipping.
Residue VAL   38 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue TYR   42 is missing expected H atoms. Skipping.
Residue ALA   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 TYR   49 is missing expected H atoms. Skipping.
Residue ALA   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   54 is missing expected H atoms. Skipping.
Residue LEU   58 is missing expected H atoms. Skipping.
Residue VAL   59 is missing expected H atoms. Skipping.
Residue ALA   60 is missing expected H atoms. Skipping.
Residue VAL   61 is missing expected H atoms. Skipping.
Residue TYR   62 is missing expected H atoms. Skipping.
Residue TYR   63 is missing expected H atoms. Skipping.
Residue THR   64 is missing expected H atoms. Skipping.
Residue ALA   67 is missing expected H atoms. Skipping.
Residue LEU   68 is missing expected H atoms. Skipping.
Residue TYR   70 is missing expected H atoms. Skipping.
Residue LEU   71 is missing expected H atoms. Skipping.
Residue LYS   72 is missing expected H atoms. Skipping.
Residue MET   73 is missing expected H atoms. Skipping.
Residue ALA   79 is missing expected H atoms. Skipping.
Residue LEU   80 is missing expected H atoms. Skipping.
Residue ALA   81 is missing expected H atoms. Skipping.
Residue ALA   86 is missing expected H atoms. Skipping.
Residue LEU   87 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue SER   93 is missing expected H atoms. Skipping.
Residue VAL   94 is missing expected H atoms. Skipping.
Residue LYS   95 is missing expected H atoms. Skipping.
Residue ALA   96 is missing expected H atoms. Skipping.
Residue LEU  100 is missing expected H atoms. Skipping.
Residue LEU  105 is missing expected H atoms. Skipping.
Residue MET  107 is missing expected H atoms. Skipping.
Residue SER  109 is missing expected H atoms. Skipping.
Residue TYR  110 is missing expected H atoms. Skipping.
Residue ALA  113 is missing expected H atoms. Skipping.
Residue ILE  114 is missing expected H atoms. Skipping.
Residue ALA  115 is missing expected H atoms. Skipping.
Residue LEU  117 is missing expected H atoms. Skipping.
Residue ALA  120 is missing expected H atoms. Skipping.
Residue TYR  121 is missing expected H atoms. Skipping.
Residue SER  122 is missing expected H atoms. Skipping.
Residue LEU  123 is missing expected H atoms. Skipping.
Residue ALA  124 is missing expected H atoms. Skipping.
Residue LYS  125 is missing expected H atoms. Skipping.
Residue LEU  129 is missing expected H atoms. Skipping.
Residue ILE  135 is missing expected H atoms. Skipping.
Residue SER  137 is missing expected H atoms. Skipping.
Residue ALA  138 is missing expected H atoms. Skipping.
Residue LEU  139 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue ALA  142 is missing expected H atoms. Skipping.
Residue LYS  143 is missing expected H atoms. Skipping.
Residue LYS  144 is missing expected H atoms. Skipping.
Residue LYS  145 is missing expected H atoms. Skipping.
Residue SER  149 is missing expected H atoms. Skipping.
Residue ILE  150 is missing expected H atoms. Skipping.
Residue ILE  155 is missing expected H atoms. Skipping.
Residue SER  159 is missing expected H atoms. Skipping.
Residue LEU  161 is missing expected H atoms. Skipping.
Residue SER  163 is missing expected H atoms. Skipping.
Residue TYR  164 is missing expected H atoms. Skipping.
Residue LEU  165 is missing expected H atoms. Skipping.
Residue SER  166 is missing expected H atoms. Skipping.
Residue LEU  168 is missing expected H atoms. Skipping.
Residue ILE  169 is missing expected H atoms. Skipping.
Residue ALA  170 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue LEU  177 is missing expected H atoms. Skipping.
Residue SER  191 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue ALA  195 is missing expected H atoms. Skipping.
Residue ALA  198 is missing expected H atoms. Skipping.
Residue ILE  200 is missing expected H atoms. Skipping.
Residue ALA  202 is missing expected H atoms. Skipping.
Residue LYS  203 is missing expected H atoms. Skipping.
Residue LYS  206 is missing expected H atoms. Skipping.
Residue TYR  207 is missing expected H atoms. Skipping.
Residue MET  208 is missing expected H atoms. Skipping.
Residue ALA  209 is missing expected H atoms. Skipping.
Residue MET  211 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue SER  216 is missing expected H atoms. Skipping.
Residue VAL  218 is missing expected H atoms. Skipping.
Residue LYS  221 is missing expected H atoms. Skipping.
Residue LYS  223 is missing expected H atoms. Skipping.
Residue LYS  224 is missing expected H atoms. Skipping.
Residue ILE  227 is missing expected H atoms. Skipping.
Residue TYR  230 is missing expected H atoms. Skipping.
Residue LEU  231 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue ILE  235 is missing expected H atoms. Skipping.
Residue SER  236 is missing expected H atoms. Skipping.
Residue LEU  239 is missing expected H atoms. Skipping.
Residue MET  240 is missing expected H atoms. Skipping.
Residue ILE  245 is missing expected H atoms. Skipping.
Residue THR  246 is missing expected H atoms. Skipping.
Residue SER  248 is missing expected H atoms. Skipping.
Residue ILE  250 is missing expected H atoms. Skipping.
Residue THR  251 is missing expected H atoms. Skipping.
Residue TYR  252 is missing expected H atoms. Skipping.
Residue LYS  255 is missing expected H atoms. Skipping.
Residue ILE  257 is missing expected H atoms. Skipping.
Residue LEU  261 is missing expected H atoms. Skipping.
Residue VAL  264 is missing expected H atoms. Skipping.
Residue VAL  270 is missing expected H atoms. Skipping.
Residue THR  271 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue LEU  275 is missing expected H atoms. Skipping.
Residue THR  276 is missing expected H atoms. Skipping.
Residue LEU  280 is missing expected H atoms. Skipping.
Residue ILE  281 is missing expected H atoms. Skipping.
Residue LEU  284 is missing expected H atoms. Skipping.
Residue ALA  285 is missing expected H atoms. Skipping.
Residue MET  286 is missing expected H atoms. Skipping.
Residue LYS  287 is missing expected H atoms. Skipping.
Residue VAL  289 is missing expected H atoms. Skipping.
Residue ILE  290 is missing expected H atoms. Skipping.
Residue ALA  292 is missing expected H atoms. Skipping.
Residue ILE  294 is missing expected H atoms. Skipping.
Residue SER  295 is missing expected H atoms. Skipping.
Residue VAL  300 is missing expected H atoms. Skipping.
Residue SER   23 is missing expected H atoms. Skipping.
Residue SER   25 is missing expected H atoms. Skipping.
Residue ALA   26 is missing expected H atoms. Skipping.
Residue LEU   29 is missing expected H atoms. Skipping.
Residue LYS   30 is missing expected H atoms. Skipping.
Residue LEU   36 is missing expected H atoms. Skipping.
Residue VAL   38 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue TYR   42 is missing expected H atoms. Skipping.
Residue ALA   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 TYR   49 is missing expected H atoms. Skipping.
Residue ALA   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   54 is missing expected H atoms. Skipping.
Residue LEU   58 is missing expected H atoms. Skipping.
Residue VAL   59 is missing expected H atoms. Skipping.
Residue ALA   60 is missing expected H atoms. Skipping.
Residue VAL   61 is missing expected H atoms. Skipping.
Residue TYR   62 is missing expected H atoms. Skipping.
Residue TYR   63 is missing expected H atoms. Skipping.
Residue THR   64 is missing expected H atoms. Skipping.
Residue ALA   67 is missing expected H atoms. Skipping.
Residue LEU   68 is missing expected H atoms. Skipping.
Residue TYR   70 is missing expected H atoms. Skipping.
Residue LEU   71 is missing expected H atoms. Skipping.
Residue LYS   72 is missing expected H atoms. Skipping.
Residue MET   73 is missing expected H atoms. Skipping.
Residue ALA   79 is missing expected H atoms. Skipping.
Residue LEU   80 is missing expected H atoms. Skipping.
Residue ALA   81 is missing expected H atoms. Skipping.
Residue ALA   86 is missing expected H atoms. Skipping.
Residue LEU   87 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue SER   93 is missing expected H atoms. Skipping.
Residue VAL   94 is missing expected H atoms. Skipping.
Residue LYS   95 is missing expected H atoms. Skipping.
Residue ALA   96 is missing expected H atoms. Skipping.
Residue LEU  100 is missing expected H atoms. Skipping.
Residue LEU  105 is missing expected H atoms. Skipping.
Residue MET  107 is missing expected H atoms. Skipping.
Residue SER  109 is missing expected H atoms. Skipping.
Residue TYR  110 is missing expected H atoms. Skipping.
Residue ALA  113 is missing expected H atoms. Skipping.
Residue ILE  114 is missing expected H atoms. Skipping.
Residue ALA  115 is missing expected H atoms. Skipping.
Residue LEU  117 is missing expected H atoms. Skipping.
Residue ALA  120 is missing expected H atoms. Skipping.
Residue TYR  121 is missing expected H atoms. Skipping.
Residue SER  122 is missing expected H atoms. Skipping.
Residue LEU  123 is missing expected H atoms. Skipping.
Residue ALA  124 is missing expected H atoms. Skipping.
Residue LYS  125 is missing expected H atoms. Skipping.
Residue LEU  129 is missing expected H atoms. Skipping.
Residue ILE  135 is missing expected H atoms. Skipping.
Residue SER  137 is missing expected H atoms. Skipping.
Residue ALA  138 is missing expected H atoms. Skipping.
Residue LEU  139 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue ALA  142 is missing expected H atoms. Skipping.
Residue LYS  143 is missing expected H atoms. Skipping.
Residue LYS  144 is missing expected H atoms. Skipping.
Residue LYS  145 is missing expected H atoms. Skipping.
Residue SER  149 is missing expected H atoms. Skipping.
Residue ILE  150 is missing expected H atoms. Skipping.
Residue ILE  155 is missing expected H atoms. Skipping.
Residue SER  159 is missing expected H atoms. Skipping.
Residue LEU  161 is missing expected H atoms. Skipping.
Residue SER  163 is missing expected H atoms. Skipping.
Residue TYR  164 is missing expected H atoms. Skipping.
Residue LEU  165 is missing expected H atoms. Skipping.
Residue SER  166 is missing expected H atoms. Skipping.
Residue LEU  168 is missing expected H atoms. Skipping.
Residue ILE  169 is missing expected H atoms. Skipping.
Residue ALA  170 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue LEU  177 is missing expected H atoms. Skipping.
Residue SER  191 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue ALA  195 is missing expected H atoms. Skipping.
Residue ALA  198 is missing expected H atoms. Skipping.
Residue ILE  200 is missing expected H atoms. Skipping.
Residue ALA  202 is missing expected H atoms. Skipping.
Residue LYS  203 is missing expected H atoms. Skipping.
Residue LYS  206 is missing expected H atoms. Skipping.
Residue TYR  207 is missing expected H atoms. Skipping.
Residue MET  208 is missing expected H atoms. Skipping.
Residue ALA  209 is missing expected H atoms. Skipping.
Residue MET  211 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue SER  216 is missing expected H atoms. Skipping.
Residue VAL  218 is missing expected H atoms. Skipping.
Residue LYS  221 is missing expected H atoms. Skipping.
Residue LYS  223 is missing expected H atoms. Skipping.
Residue LYS  224 is missing expected H atoms. Skipping.
Residue ILE  227 is missing expected H atoms. Skipping.
Residue TYR  230 is missing expected H atoms. Skipping.
Residue LEU  231 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue ILE  235 is missing expected H atoms. Skipping.
Residue SER  236 is missing expected H atoms. Skipping.
Residue LEU  239 is missing expected H atoms. Skipping.
Residue MET  240 is missing expected H atoms. Skipping.
Residue ILE  245 is missing expected H atoms. Skipping.
Residue THR  246 is missing expected H atoms. Skipping.
Residue SER  248 is missing expected H atoms. Skipping.
Residue ILE  250 is missing expected H atoms. Skipping.
Residue THR  251 is missing expected H atoms. Skipping.
Residue TYR  252 is missing expected H atoms. Skipping.
Residue LYS  255 is missing expected H atoms. Skipping.
Residue ILE  257 is missing expected H atoms. Skipping.
Residue LEU  261 is missing expected H atoms. Skipping.
Residue VAL  264 is missing expected H atoms. Skipping.
Residue VAL  270 is missing expected H atoms. Skipping.
Residue THR  271 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue LEU  275 is missing expected H atoms. Skipping.
Residue THR  276 is missing expected H atoms. Skipping.
Residue LEU  280 is missing expected H atoms. Skipping.
Residue ILE  281 is missing expected H atoms. Skipping.
Residue LEU  284 is missing expected H atoms. Skipping.
Residue ALA  285 is missing expected H atoms. Skipping.
Residue MET  286 is missing expected H atoms. Skipping.
Residue LYS  287 is missing expected H atoms. Skipping.
Residue VAL  289 is missing expected H atoms. Skipping.
Residue ILE  290 is missing expected H atoms. Skipping.
Residue ALA  292 is missing expected H atoms. Skipping.
Residue ILE  294 is missing expected H atoms. Skipping.
Residue SER  295 is missing expected H atoms. Skipping.
Residue VAL  300 is missing expected H atoms. Skipping.
Residue LEU   30 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 LEU   34 is missing expected H atoms. Skipping.
Residue THR   35 is missing expected H atoms. Skipping.
Residue SER   37 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 SER   42 is missing expected H atoms. Skipping.
Residue LEU   43 is missing expected H atoms. Skipping.
Residue SER   44 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue THR   50 is missing expected H atoms. Skipping.
Residue LEU   51 is missing expected H atoms. Skipping.
Residue SER   52 is missing expected H atoms. Skipping.
Residue ALA   55 is missing expected H atoms. Skipping.
Residue SER   56 is missing expected H atoms. Skipping.
Residue SER   58 is missing expected H atoms. Skipping.
Residue VAL   59 is missing expected H atoms. Skipping.
Residue SER   60 is missing expected H atoms. Skipping.
Residue SER   61 is missing expected H atoms. Skipping.
Residue THR   62 is missing expected H atoms. Skipping.
Residue LEU   64 is missing expected H atoms. Skipping.
Residue ALA   65 is missing expected H atoms. Skipping.
Residue TYR   67 is missing expected H atoms. Skipping.
Residue LYS   70 is missing expected H atoms. Skipping.
Residue ALA   74 is missing expected H atoms. Skipping.
Residue LEU   77 is missing expected H atoms. Skipping.
Residue LEU   78 is missing expected H atoms. Skipping.
Residue ILE   79 is missing expected H atoms. Skipping.
Residue TYR   80 is missing expected H atoms. Skipping.
Residue ALA   82 is missing expected H atoms. Skipping.
Residue SER   83 is missing expected H atoms. Skipping.
Residue ALA   86 is missing expected H atoms. Skipping.
Residue THR   87 is missing expected H atoms. Skipping.
Residue ILE   89 is missing expected H atoms. Skipping.
Residue SER   94 is missing expected H atoms. Skipping.
Residue SER   96 is missing expected H atoms. Skipping.
Residue SER   98 is missing expected H atoms. Skipping.
Residue THR  100 is missing expected H atoms. Skipping.
Residue THR  103 is missing expected H atoms. Skipping.
Residue LEU  104 is missing expected H atoms. Skipping.
Residue THR  105 is missing expected H atoms. Skipping.
Residue ILE  106 is missing expected H atoms. Skipping.
Residue SER  107 is missing expected H atoms. Skipping.
Residue LEU  109 is missing expected H atoms. Skipping.
Residue ALA  115 is missing expected H atoms. Skipping.
Residue VAL  116 is missing expected H atoms. Skipping.
Residue TYR  117 is missing expected H atoms. Skipping.
Residue TYR  118 is missing expected H atoms. Skipping.
Residue TYR  122 is missing expected H atoms. Skipping.
Residue ALA  124 is missing expected H atoms. Skipping.
Residue THR  125 is missing expected H atoms. Skipping.
Residue TYR  126 is missing expected H atoms. Skipping.
Residue THR  127 is missing expected H atoms. Skipping.
Residue THR  132 is missing expected H atoms. Skipping.
Residue LYS  133 is missing expected H atoms. Skipping.
Residue LEU  134 is missing expected H atoms. Skipping.
Residue ILE  136 is missing expected H atoms. Skipping.
Residue LYS  137 is missing expected H atoms. Skipping.
Residue THR  139 is missing expected H atoms. Skipping.
Residue VAL  140 is missing expected H atoms. Skipping.
Residue ALA  141 is missing expected H atoms. Skipping.
Residue ALA  142 is missing expected H atoms. Skipping.
Residue SER  144 is missing expected H atoms. Skipping.
Residue VAL  145 is missing expected H atoms. Skipping.
Residue ILE  147 is missing expected H atoms. Skipping.
Residue SER  151 is missing expected H atoms. Skipping.
Residue LEU  155 is missing expected H atoms. Skipping.
Residue LYS  156 is missing expected H atoms. Skipping.
Residue SER  157 is missing expected H atoms. Skipping.
Residue THR  159 is missing expected H atoms. Skipping.
Residue ALA  160 is missing expected H atoms. Skipping.
Residue SER  161 is missing expected H atoms. Skipping.
Residue VAL  162 is missing expected H atoms. Skipping.
Residue VAL  163 is missing expected H atoms. Skipping.
Residue LEU  165 is missing expected H atoms. Skipping.
Residue LEU  166 is missing expected H atoms. Skipping.
Residue TYR  170 is missing expected H atoms. Skipping.
Residue ALA  174 is missing expected H atoms. Skipping.
Residue LYS  175 is missing expected H atoms. Skipping.
Residue VAL  176 is missing expected H atoms. Skipping.
Residue LYS  179 is missing expected H atoms. Skipping.
Residue VAL  180 is missing expected H atoms. Skipping.
Residue ALA  183 is missing expected H atoms. Skipping.
Residue LEU  184 is missing expected H atoms. Skipping.
Residue SER  186 is missing expected H atoms. Skipping.
Residue SER  189 is missing expected H atoms. Skipping.
Residue SER  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue THR  194 is missing expected H atoms. Skipping.
Residue SER  198 is missing expected H atoms. Skipping.
Residue LYS  199 is missing expected H atoms. Skipping.
Residue SER  201 is missing expected H atoms. Skipping.
Residue THR  202 is missing expected H atoms. Skipping.
Residue TYR  203 is missing expected H atoms. Skipping.
Residue SER  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue SER  206 is missing expected H atoms. Skipping.
Residue SER  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  209 is missing expected H atoms. Skipping.
Residue THR  210 is missing expected H atoms. Skipping.
Residue LEU  211 is missing expected H atoms. Skipping.
Residue SER  212 is missing expected H atoms. Skipping.
Residue LYS  213 is missing expected H atoms. Skipping.
Residue ALA  214 is missing expected H atoms. Skipping.
Residue TYR  216 is missing expected H atoms. Skipping.
Residue LYS  218 is missing expected H atoms. Skipping.
Residue LYS  220 is missing expected H atoms. Skipping.
Residue VAL  221 is missing expected H atoms. Skipping.
Residue TYR  222 is missing expected H atoms. Skipping.
Residue ALA  223 is missing expected H atoms. Skipping.
Residue VAL  226 is missing expected H atoms. Skipping.
Residue THR  227 is missing expected H atoms. Skipping.
Residue LEU  231 is missing expected H atoms. Skipping.
Residue SER  232 is missing expected H atoms. Skipping.
Residue SER  233 is missing expected H atoms. Skipping.
Residue VAL  235 is missing expected H atoms. Skipping.
Residue THR  236 is missing expected H atoms. Skipping.
Residue LYS  237 is missing expected H atoms. Skipping.
Residue SER  238 is missing expected H atoms. Skipping.
Residue LEU   12 is missing expected H atoms. Skipping.
Residue MET   13 is missing expected H atoms. Skipping.
Residue LYS   14 is missing expected H atoms. Skipping.
Residue THR   18 is missing expected H atoms. Skipping.
Residue LEU   19 is missing expected H atoms. Skipping.
Residue SER   20 is missing expected H atoms. Skipping.
Residue LEU   21 is missing expected H atoms. Skipping.
Residue THR   22 is missing expected H atoms. Skipping.
Residue ALA   24 is missing expected H atoms. Skipping.
Residue ILE   25 is missing expected H atoms. Skipping.
Residue SER   26 is missing expected H atoms. Skipping.
Residue SER   29 is missing expected H atoms. Skipping.
Residue VAL   30 is missing expected H atoms. Skipping.
Residue SER   31 is missing expected H atoms. Skipping.
Residue SER   32 is missing expected H atoms. Skipping.
Residue SER   34 is missing expected H atoms. Skipping.
Residue ALA   35 is missing expected H atoms. Skipping.
Residue ALA   36 is missing expected H atoms. Skipping.
Residue ILE   40 is missing expected H atoms. Skipping.
Residue SER   43 is missing expected H atoms. Skipping.
Residue SER   45 is missing expected H atoms. Skipping.
Residue LEU   48 is missing expected H atoms. Skipping.
Residue LEU   51 is missing expected H atoms. Skipping.
Residue THR   54 is missing expected H atoms. Skipping.
Residue TYR   55 is missing expected H atoms. Skipping.
Residue TYR   56 is missing expected H atoms. Skipping.
Residue SER   58 is missing expected H atoms. Skipping.
Residue LYS   59 is missing expected H atoms. Skipping.
Residue TYR   61 is missing expected H atoms. Skipping.
Residue TYR   64 is missing expected H atoms. Skipping.
Residue ALA   65 is missing expected H atoms. Skipping.
Residue VAL   66 is missing expected H atoms. Skipping.
Residue SER   67 is missing expected H atoms. Skipping.
Residue VAL   68 is missing expected H atoms. Skipping.
Residue LYS   69 is missing expected H atoms. Skipping.
Residue SER   70 is missing expected H atoms. Skipping.
Residue ILE   72 is missing expected H atoms. Skipping.
Residue THR   73 is missing expected H atoms. Skipping.
Residue ILE   74 is missing expected H atoms. Skipping.
Residue THR   78 is missing expected H atoms. Skipping.
Residue SER   79 is missing expected H atoms. Skipping.
Residue LYS   80 is missing expected H atoms. Skipping.
Residue SER   84 is missing expected H atoms. Skipping.
Residue LEU   85 is missing expected H atoms. Skipping.
Residue LEU   87 is missing expected H atoms. Skipping.
Residue SER   89 is missing expected H atoms. Skipping.
Residue VAL   90 is missing expected H atoms. Skipping.
Residue THR   91 is missing expected H atoms. Skipping.
Residue THR   95 is missing expected H atoms. Skipping.
Residue ALA   96 is missing expected H atoms. Skipping.
Residue VAL   97 is missing expected H atoms. Skipping.
Residue TYR   98 is missing expected H atoms. Skipping.
Residue TYR   99 is missing expected H atoms. Skipping.
Residue ALA  101 is missing expected H atoms. Skipping.
Residue ALA  103 is missing expected H atoms. Skipping.
Residue VAL  104 is missing expected H atoms. Skipping.
Residue ALA  105 is missing expected H atoms. Skipping.
Residue ALA  106 is missing expected H atoms. Skipping.
Residue SER  107 is missing expected H atoms. Skipping.
Residue TYR  110 is missing expected H atoms. Skipping.
Residue THR  115 is missing expected H atoms. Skipping.
Residue LEU  116 is missing expected H atoms. Skipping.
Residue VAL  117 is missing expected H atoms. Skipping.
Residue THR  118 is missing expected H atoms. Skipping.
Residue VAL  119 is missing expected H atoms. Skipping.
Residue SER  120 is missing expected H atoms. Skipping.
Residue SER  121 is missing expected H atoms. Skipping.
Residue ALA  122 is missing expected H atoms. Skipping.
Residue SER  123 is missing expected H atoms. Skipping.
Residue THR  124 is missing expected H atoms. Skipping.
Residue LYS  125 is missing expected H atoms. Skipping.
Residue SER  128 is missing expected H atoms. Skipping.
Residue VAL  129 is missing expected H atoms. Skipping.
Residue LEU  132 is missing expected H atoms. Skipping.
Residue ALA  133 is missing expected H atoms. Skipping.
Residue SER  135 is missing expected H atoms. Skipping.
Residue SER  136 is missing expected H atoms. Skipping.
Residue LYS  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue THR  139 is missing expected H atoms. Skipping.
Residue SER  140 is missing expected H atoms. Skipping.
Residue THR  143 is missing expected H atoms. Skipping.
Residue ALA  144 is missing expected H atoms. Skipping.
Residue ALA  145 is missing expected H atoms. Skipping.
Residue LEU  146 is missing expected H atoms. Skipping.
Residue LEU  149 is missing expected H atoms. Skipping.
Residue VAL  150 is missing expected H atoms. Skipping.
Residue LYS  151 is missing expected H atoms. Skipping.
Residue TYR  153 is missing expected H atoms. Skipping.
Residue VAL  158 is missing expected H atoms. Skipping.
Residue THR  159 is missing expected H atoms. Skipping.
Residue VAL  160 is missing expected H atoms. Skipping.
Residue SER  161 is missing expected H atoms. Skipping.
Residue SER  164 is missing expected H atoms. Skipping.
Residue ALA  166 is missing expected H atoms. Skipping.
Residue LEU  167 is missing expected H atoms. Skipping.
Residue THR  168 is missing expected H atoms. Skipping.
Residue SER  169 is missing expected H atoms. Skipping.
Residue VAL  171 is missing expected H atoms. Skipping.
Residue THR  173 is missing expected H atoms. Skipping.
Residue ALA  176 is missing expected H atoms. Skipping.
Residue VAL  177 is missing expected H atoms. Skipping.
Residue LEU  178 is missing expected H atoms. Skipping.
Residue SER  180 is missing expected H atoms. Skipping.
Residue SER  181 is missing expected H atoms. Skipping.
Residue LEU  183 is missing expected H atoms. Skipping.
Residue TYR  184 is missing expected H atoms. Skipping.
Residue SER  185 is missing expected H atoms. Skipping.
Residue LEU  186 is missing expected H atoms. Skipping.
Residue SER  187 is missing expected H atoms. Skipping.
Residue SER  188 is missing expected H atoms. Skipping.
Residue VAL  189 is missing expected H atoms. Skipping.
Residue VAL  190 is missing expected H atoms. Skipping.
Residue THR  191 is missing expected H atoms. Skipping.
Residue VAL  192 is missing expected H atoms. Skipping.
Residue SER  194 is missing expected H atoms. Skipping.
Residue SER  195 is missing expected H atoms. Skipping.
Residue SER  196 is missing expected H atoms. Skipping.
Residue LEU  197 is missing expected H atoms. Skipping.
Residue THR  199 is missing expected H atoms. Skipping.
Residue THR  201 is missing expected H atoms. Skipping.
Residue TYR  202 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue VAL  206 is missing expected H atoms. Skipping.
Residue LYS  209 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue THR  213 is missing expected H atoms. Skipping.
Residue LYS  214 is missing expected H atoms. Skipping.
Residue VAL  215 is missing expected H atoms. Skipping.
Residue LYS  217 is missing expected H atoms. Skipping.
Residue LYS  218 is missing expected H atoms. Skipping.
Residue VAL  219 is missing expected H atoms. Skipping.
Residue LYS  222 is missing expected H atoms. Skipping.
Residue SER  223 is missing expected H atoms. Skipping.
Evaluate side-chains
  14 residues out of total 858 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 0
    poor density    : 14
  time to evaluate  : 0.202 
Fit side-chains
  outliers start: 0
  outliers final: 0
  residues processed: 14
  average time/residue: 0.0301
  time to fit residues: 1.0948
Evaluate side-chains
  14 residues out of total 858 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 0
    poor density    : 14
  time to evaluate  : 0.182 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Rotamers are restrained with sigma=3.50
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 98
   random chunks:
   chunk 53 optimal weight:   20.0000
   chunk 2 optimal weight:   50.0000
   chunk 64 optimal weight:    9.9990
   chunk 96 optimal weight:   30.0000
   chunk 28 optimal weight:   40.0000
   chunk 31 optimal weight:   30.0000
   chunk 92 optimal weight:    2.9990
   chunk 42 optimal weight:    7.9990
   chunk 93 optimal weight:   30.0000
   chunk 62 optimal weight:    2.9990
   chunk 15 optimal weight:    7.9990
   overall best weight:    6.3990

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

No N/Q/H corrections needed this macrocycle
-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.3855 r_free = 0.3855 target = 0.083985 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 37)----------------|
| r_work = 0.3600 r_free = 0.3600 target = 0.065632 restraints weight = 102839.203|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 29)----------------|
| r_work = 0.3498 r_free = 0.3498 target = 0.063592 restraints weight = 94848.121|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 27)----------------|
| r_work = 0.3492 r_free = 0.3492 target = 0.063335 restraints weight = 91744.948|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 4; iterations = 25)----------------|
| r_work = 0.3499 r_free = 0.3499 target = 0.063352 restraints weight = 79702.566|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 5; iterations = 23)----------------|
| r_work = 0.3503 r_free = 0.3503 target = 0.063452 restraints weight = 69872.990|
|-----------------------------------------------------------------------------|
r_work (final): 0.3238
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.6154
moved from start:          1.5411

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.003   0.015   3968  Z= 0.258
  Angle     :  0.673   6.524   4956  Z= 0.428
  Chirality :  0.000   0.000      0
  Planarity :  0.004   0.024    992
  Dihedral  :  6.915  60.861    992
  Min Nonbonded Distance : 2.313

Molprobity Statistics.
  All-atom Clashscore : 10.15
  Ramachandran Plot:
    Outliers :  0.30 %
    Allowed  : 16.16 %
    Favored  : 83.54 %
  Rotamer:
    Outliers :  0.00 %
    Allowed  :  0.00 %
    Favored  :  0.00 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 2.27 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.21 %

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 are not related in a simple way.
  whole: -2.32 (0.28), residues: 984
  helix:  0.22 (0.27), residues: 415
  sheet: -2.42 (0.43), residues: 131
  loop : -3.08 (0.29), residues: 438


Details of bonding type rmsd/Z
  covalent geometry    : bond        0.00341 /  0.26 ( 3968)
  covalent geometry    : angle       0.67286 /  0.43 ( 4956)
  hydrogen bonds       : bond        0.05589 /  4.39 (  429)
  hydrogen bonds       : angle       7.64952 /  6.35 ( 1269)

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

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

  1968 Ramachandran restraints generated.
    984 Oldfield, 0 Emsley, 984 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  1968 Ramachandran restraints generated.
    984 Oldfield, 0 Emsley, 984 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Residue SER   23 is missing expected H atoms. Skipping.
Residue SER   25 is missing expected H atoms. Skipping.
Residue ALA   26 is missing expected H atoms. Skipping.
Residue LEU   29 is missing expected H atoms. Skipping.
Residue LYS   30 is missing expected H atoms. Skipping.
Residue LEU   36 is missing expected H atoms. Skipping.
Residue VAL   38 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue TYR   42 is missing expected H atoms. Skipping.
Residue ALA   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 TYR   49 is missing expected H atoms. Skipping.
Residue ALA   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   54 is missing expected H atoms. Skipping.
Residue LEU   58 is missing expected H atoms. Skipping.
Residue VAL   59 is missing expected H atoms. Skipping.
Residue ALA   60 is missing expected H atoms. Skipping.
Residue VAL   61 is missing expected H atoms. Skipping.
Residue TYR   62 is missing expected H atoms. Skipping.
Residue TYR   63 is missing expected H atoms. Skipping.
Residue THR   64 is missing expected H atoms. Skipping.
Residue ALA   67 is missing expected H atoms. Skipping.
Residue LEU   68 is missing expected H atoms. Skipping.
Residue TYR   70 is missing expected H atoms. Skipping.
Residue LEU   71 is missing expected H atoms. Skipping.
Residue LYS   72 is missing expected H atoms. Skipping.
Residue MET   73 is missing expected H atoms. Skipping.
Residue ALA   79 is missing expected H atoms. Skipping.
Residue LEU   80 is missing expected H atoms. Skipping.
Residue ALA   81 is missing expected H atoms. Skipping.
Residue ALA   86 is missing expected H atoms. Skipping.
Residue LEU   87 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue SER   93 is missing expected H atoms. Skipping.
Residue VAL   94 is missing expected H atoms. Skipping.
Residue LYS   95 is missing expected H atoms. Skipping.
Residue ALA   96 is missing expected H atoms. Skipping.
Residue LEU  100 is missing expected H atoms. Skipping.
Residue LEU  105 is missing expected H atoms. Skipping.
Residue MET  107 is missing expected H atoms. Skipping.
Residue SER  109 is missing expected H atoms. Skipping.
Residue TYR  110 is missing expected H atoms. Skipping.
Residue ALA  113 is missing expected H atoms. Skipping.
Residue ILE  114 is missing expected H atoms. Skipping.
Residue ALA  115 is missing expected H atoms. Skipping.
Residue LEU  117 is missing expected H atoms. Skipping.
Residue ALA  120 is missing expected H atoms. Skipping.
Residue TYR  121 is missing expected H atoms. Skipping.
Residue SER  122 is missing expected H atoms. Skipping.
Residue LEU  123 is missing expected H atoms. Skipping.
Residue ALA  124 is missing expected H atoms. Skipping.
Residue LYS  125 is missing expected H atoms. Skipping.
Residue LEU  129 is missing expected H atoms. Skipping.
Residue ILE  135 is missing expected H atoms. Skipping.
Residue SER  137 is missing expected H atoms. Skipping.
Residue ALA  138 is missing expected H atoms. Skipping.
Residue LEU  139 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue ALA  142 is missing expected H atoms. Skipping.
Residue LYS  143 is missing expected H atoms. Skipping.
Residue LYS  144 is missing expected H atoms. Skipping.
Residue LYS  145 is missing expected H atoms. Skipping.
Residue SER  149 is missing expected H atoms. Skipping.
Residue ILE  150 is missing expected H atoms. Skipping.
Residue ILE  155 is missing expected H atoms. Skipping.
Residue SER  159 is missing expected H atoms. Skipping.
Residue LEU  161 is missing expected H atoms. Skipping.
Residue SER  163 is missing expected H atoms. Skipping.
Residue TYR  164 is missing expected H atoms. Skipping.
Residue LEU  165 is missing expected H atoms. Skipping.
Residue SER  166 is missing expected H atoms. Skipping.
Residue LEU  168 is missing expected H atoms. Skipping.
Residue ILE  169 is missing expected H atoms. Skipping.
Residue ALA  170 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue LEU  177 is missing expected H atoms. Skipping.
Residue SER  191 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue ALA  195 is missing expected H atoms. Skipping.
Residue ALA  198 is missing expected H atoms. Skipping.
Residue ILE  200 is missing expected H atoms. Skipping.
Residue ALA  202 is missing expected H atoms. Skipping.
Residue LYS  203 is missing expected H atoms. Skipping.
Residue LYS  206 is missing expected H atoms. Skipping.
Residue TYR  207 is missing expected H atoms. Skipping.
Residue MET  208 is missing expected H atoms. Skipping.
Residue ALA  209 is missing expected H atoms. Skipping.
Residue MET  211 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue SER  216 is missing expected H atoms. Skipping.
Residue VAL  218 is missing expected H atoms. Skipping.
Residue LYS  221 is missing expected H atoms. Skipping.
Residue LYS  223 is missing expected H atoms. Skipping.
Residue LYS  224 is missing expected H atoms. Skipping.
Residue ILE  227 is missing expected H atoms. Skipping.
Residue TYR  230 is missing expected H atoms. Skipping.
Residue LEU  231 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue ILE  235 is missing expected H atoms. Skipping.
Residue SER  236 is missing expected H atoms. Skipping.
Residue LEU  239 is missing expected H atoms. Skipping.
Residue MET  240 is missing expected H atoms. Skipping.
Residue ILE  245 is missing expected H atoms. Skipping.
Residue THR  246 is missing expected H atoms. Skipping.
Residue SER  248 is missing expected H atoms. Skipping.
Residue ILE  250 is missing expected H atoms. Skipping.
Residue THR  251 is missing expected H atoms. Skipping.
Residue TYR  252 is missing expected H atoms. Skipping.
Residue LYS  255 is missing expected H atoms. Skipping.
Residue ILE  257 is missing expected H atoms. Skipping.
Residue LEU  261 is missing expected H atoms. Skipping.
Residue VAL  264 is missing expected H atoms. Skipping.
Residue VAL  270 is missing expected H atoms. Skipping.
Residue THR  271 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue LEU  275 is missing expected H atoms. Skipping.
Residue THR  276 is missing expected H atoms. Skipping.
Residue LEU  280 is missing expected H atoms. Skipping.
Residue ILE  281 is missing expected H atoms. Skipping.
Residue LEU  284 is missing expected H atoms. Skipping.
Residue ALA  285 is missing expected H atoms. Skipping.
Residue MET  286 is missing expected H atoms. Skipping.
Residue LYS  287 is missing expected H atoms. Skipping.
Residue VAL  289 is missing expected H atoms. Skipping.
Residue ILE  290 is missing expected H atoms. Skipping.
Residue ALA  292 is missing expected H atoms. Skipping.
Residue ILE  294 is missing expected H atoms. Skipping.
Residue SER  295 is missing expected H atoms. Skipping.
Residue VAL  300 is missing expected H atoms. Skipping.
Residue SER   23 is missing expected H atoms. Skipping.
Residue SER   25 is missing expected H atoms. Skipping.
Residue ALA   26 is missing expected H atoms. Skipping.
Residue LEU   29 is missing expected H atoms. Skipping.
Residue LYS   30 is missing expected H atoms. Skipping.
Residue LEU   36 is missing expected H atoms. Skipping.
Residue VAL   38 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue TYR   42 is missing expected H atoms. Skipping.
Residue ALA   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 TYR   49 is missing expected H atoms. Skipping.
Residue ALA   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   54 is missing expected H atoms. Skipping.
Residue LEU   58 is missing expected H atoms. Skipping.
Residue VAL   59 is missing expected H atoms. Skipping.
Residue ALA   60 is missing expected H atoms. Skipping.
Residue VAL   61 is missing expected H atoms. Skipping.
Residue TYR   62 is missing expected H atoms. Skipping.
Residue TYR   63 is missing expected H atoms. Skipping.
Residue THR   64 is missing expected H atoms. Skipping.
Residue ALA   67 is missing expected H atoms. Skipping.
Residue LEU   68 is missing expected H atoms. Skipping.
Residue TYR   70 is missing expected H atoms. Skipping.
Residue LEU   71 is missing expected H atoms. Skipping.
Residue LYS   72 is missing expected H atoms. Skipping.
Residue MET   73 is missing expected H atoms. Skipping.
Residue ALA   79 is missing expected H atoms. Skipping.
Residue LEU   80 is missing expected H atoms. Skipping.
Residue ALA   81 is missing expected H atoms. Skipping.
Residue ALA   86 is missing expected H atoms. Skipping.
Residue LEU   87 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue SER   93 is missing expected H atoms. Skipping.
Residue VAL   94 is missing expected H atoms. Skipping.
Residue LYS   95 is missing expected H atoms. Skipping.
Residue ALA   96 is missing expected H atoms. Skipping.
Residue LEU  100 is missing expected H atoms. Skipping.
Residue LEU  105 is missing expected H atoms. Skipping.
Residue MET  107 is missing expected H atoms. Skipping.
Residue SER  109 is missing expected H atoms. Skipping.
Residue TYR  110 is missing expected H atoms. Skipping.
Residue ALA  113 is missing expected H atoms. Skipping.
Residue ILE  114 is missing expected H atoms. Skipping.
Residue ALA  115 is missing expected H atoms. Skipping.
Residue LEU  117 is missing expected H atoms. Skipping.
Residue ALA  120 is missing expected H atoms. Skipping.
Residue TYR  121 is missing expected H atoms. Skipping.
Residue SER  122 is missing expected H atoms. Skipping.
Residue LEU  123 is missing expected H atoms. Skipping.
Residue ALA  124 is missing expected H atoms. Skipping.
Residue LYS  125 is missing expected H atoms. Skipping.
Residue LEU  129 is missing expected H atoms. Skipping.
Residue ILE  135 is missing expected H atoms. Skipping.
Residue SER  137 is missing expected H atoms. Skipping.
Residue ALA  138 is missing expected H atoms. Skipping.
Residue LEU  139 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue ALA  142 is missing expected H atoms. Skipping.
Residue LYS  143 is missing expected H atoms. Skipping.
Residue LYS  144 is missing expected H atoms. Skipping.
Residue LYS  145 is missing expected H atoms. Skipping.
Residue SER  149 is missing expected H atoms. Skipping.
Residue ILE  150 is missing expected H atoms. Skipping.
Residue ILE  155 is missing expected H atoms. Skipping.
Residue SER  159 is missing expected H atoms. Skipping.
Residue LEU  161 is missing expected H atoms. Skipping.
Residue SER  163 is missing expected H atoms. Skipping.
Residue TYR  164 is missing expected H atoms. Skipping.
Residue LEU  165 is missing expected H atoms. Skipping.
Residue SER  166 is missing expected H atoms. Skipping.
Residue LEU  168 is missing expected H atoms. Skipping.
Residue ILE  169 is missing expected H atoms. Skipping.
Residue ALA  170 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue LEU  177 is missing expected H atoms. Skipping.
Residue SER  191 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue ALA  195 is missing expected H atoms. Skipping.
Residue ALA  198 is missing expected H atoms. Skipping.
Residue ILE  200 is missing expected H atoms. Skipping.
Residue ALA  202 is missing expected H atoms. Skipping.
Residue LYS  203 is missing expected H atoms. Skipping.
Residue LYS  206 is missing expected H atoms. Skipping.
Residue TYR  207 is missing expected H atoms. Skipping.
Residue MET  208 is missing expected H atoms. Skipping.
Residue ALA  209 is missing expected H atoms. Skipping.
Residue MET  211 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue SER  216 is missing expected H atoms. Skipping.
Residue VAL  218 is missing expected H atoms. Skipping.
Residue LYS  221 is missing expected H atoms. Skipping.
Residue LYS  223 is missing expected H atoms. Skipping.
Residue LYS  224 is missing expected H atoms. Skipping.
Residue ILE  227 is missing expected H atoms. Skipping.
Residue TYR  230 is missing expected H atoms. Skipping.
Residue LEU  231 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue ILE  235 is missing expected H atoms. Skipping.
Residue SER  236 is missing expected H atoms. Skipping.
Residue LEU  239 is missing expected H atoms. Skipping.
Residue MET  240 is missing expected H atoms. Skipping.
Residue ILE  245 is missing expected H atoms. Skipping.
Residue THR  246 is missing expected H atoms. Skipping.
Residue SER  248 is missing expected H atoms. Skipping.
Residue ILE  250 is missing expected H atoms. Skipping.
Residue THR  251 is missing expected H atoms. Skipping.
Residue TYR  252 is missing expected H atoms. Skipping.
Residue LYS  255 is missing expected H atoms. Skipping.
Residue ILE  257 is missing expected H atoms. Skipping.
Residue LEU  261 is missing expected H atoms. Skipping.
Residue VAL  264 is missing expected H atoms. Skipping.
Residue VAL  270 is missing expected H atoms. Skipping.
Residue THR  271 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue LEU  275 is missing expected H atoms. Skipping.
Residue THR  276 is missing expected H atoms. Skipping.
Residue LEU  280 is missing expected H atoms. Skipping.
Residue ILE  281 is missing expected H atoms. Skipping.
Residue LEU  284 is missing expected H atoms. Skipping.
Residue ALA  285 is missing expected H atoms. Skipping.
Residue MET  286 is missing expected H atoms. Skipping.
Residue LYS  287 is missing expected H atoms. Skipping.
Residue VAL  289 is missing expected H atoms. Skipping.
Residue ILE  290 is missing expected H atoms. Skipping.
Residue ALA  292 is missing expected H atoms. Skipping.
Residue ILE  294 is missing expected H atoms. Skipping.
Residue SER  295 is missing expected H atoms. Skipping.
Residue VAL  300 is missing expected H atoms. Skipping.
Residue LEU   30 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 LEU   34 is missing expected H atoms. Skipping.
Residue THR   35 is missing expected H atoms. Skipping.
Residue SER   37 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 SER   42 is missing expected H atoms. Skipping.
Residue LEU   43 is missing expected H atoms. Skipping.
Residue SER   44 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue THR   50 is missing expected H atoms. Skipping.
Residue LEU   51 is missing expected H atoms. Skipping.
Residue SER   52 is missing expected H atoms. Skipping.
Residue ALA   55 is missing expected H atoms. Skipping.
Residue SER   56 is missing expected H atoms. Skipping.
Residue SER   58 is missing expected H atoms. Skipping.
Residue VAL   59 is missing expected H atoms. Skipping.
Residue SER   60 is missing expected H atoms. Skipping.
Residue SER   61 is missing expected H atoms. Skipping.
Residue THR   62 is missing expected H atoms. Skipping.
Residue LEU   64 is missing expected H atoms. Skipping.
Residue ALA   65 is missing expected H atoms. Skipping.
Residue TYR   67 is missing expected H atoms. Skipping.
Residue LYS   70 is missing expected H atoms. Skipping.
Residue ALA   74 is missing expected H atoms. Skipping.
Residue LEU   77 is missing expected H atoms. Skipping.
Residue LEU   78 is missing expected H atoms. Skipping.
Residue ILE   79 is missing expected H atoms. Skipping.
Residue TYR   80 is missing expected H atoms. Skipping.
Residue ALA   82 is missing expected H atoms. Skipping.
Residue SER   83 is missing expected H atoms. Skipping.
Residue ALA   86 is missing expected H atoms. Skipping.
Residue THR   87 is missing expected H atoms. Skipping.
Residue ILE   89 is missing expected H atoms. Skipping.
Residue SER   94 is missing expected H atoms. Skipping.
Residue SER   96 is missing expected H atoms. Skipping.
Residue SER   98 is missing expected H atoms. Skipping.
Residue THR  100 is missing expected H atoms. Skipping.
Residue THR  103 is missing expected H atoms. Skipping.
Residue LEU  104 is missing expected H atoms. Skipping.
Residue THR  105 is missing expected H atoms. Skipping.
Residue ILE  106 is missing expected H atoms. Skipping.
Residue SER  107 is missing expected H atoms. Skipping.
Residue LEU  109 is missing expected H atoms. Skipping.
Residue ALA  115 is missing expected H atoms. Skipping.
Residue VAL  116 is missing expected H atoms. Skipping.
Residue TYR  117 is missing expected H atoms. Skipping.
Residue TYR  118 is missing expected H atoms. Skipping.
Residue TYR  122 is missing expected H atoms. Skipping.
Residue ALA  124 is missing expected H atoms. Skipping.
Residue THR  125 is missing expected H atoms. Skipping.
Residue TYR  126 is missing expected H atoms. Skipping.
Residue THR  127 is missing expected H atoms. Skipping.
Residue THR  132 is missing expected H atoms. Skipping.
Residue LYS  133 is missing expected H atoms. Skipping.
Residue LEU  134 is missing expected H atoms. Skipping.
Residue ILE  136 is missing expected H atoms. Skipping.
Residue LYS  137 is missing expected H atoms. Skipping.
Residue THR  139 is missing expected H atoms. Skipping.
Residue VAL  140 is missing expected H atoms. Skipping.
Residue ALA  141 is missing expected H atoms. Skipping.
Residue ALA  142 is missing expected H atoms. Skipping.
Residue SER  144 is missing expected H atoms. Skipping.
Residue VAL  145 is missing expected H atoms. Skipping.
Residue ILE  147 is missing expected H atoms. Skipping.
Residue SER  151 is missing expected H atoms. Skipping.
Residue LEU  155 is missing expected H atoms. Skipping.
Residue LYS  156 is missing expected H atoms. Skipping.
Residue SER  157 is missing expected H atoms. Skipping.
Residue THR  159 is missing expected H atoms. Skipping.
Residue ALA  160 is missing expected H atoms. Skipping.
Residue SER  161 is missing expected H atoms. Skipping.
Residue VAL  162 is missing expected H atoms. Skipping.
Residue VAL  163 is missing expected H atoms. Skipping.
Residue LEU  165 is missing expected H atoms. Skipping.
Residue LEU  166 is missing expected H atoms. Skipping.
Residue TYR  170 is missing expected H atoms. Skipping.
Residue ALA  174 is missing expected H atoms. Skipping.
Residue LYS  175 is missing expected H atoms. Skipping.
Residue VAL  176 is missing expected H atoms. Skipping.
Residue LYS  179 is missing expected H atoms. Skipping.
Residue VAL  180 is missing expected H atoms. Skipping.
Residue ALA  183 is missing expected H atoms. Skipping.
Residue LEU  184 is missing expected H atoms. Skipping.
Residue SER  186 is missing expected H atoms. Skipping.
Residue SER  189 is missing expected H atoms. Skipping.
Residue SER  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue THR  194 is missing expected H atoms. Skipping.
Residue SER  198 is missing expected H atoms. Skipping.
Residue LYS  199 is missing expected H atoms. Skipping.
Residue SER  201 is missing expected H atoms. Skipping.
Residue THR  202 is missing expected H atoms. Skipping.
Residue TYR  203 is missing expected H atoms. Skipping.
Residue SER  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue SER  206 is missing expected H atoms. Skipping.
Residue SER  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  209 is missing expected H atoms. Skipping.
Residue THR  210 is missing expected H atoms. Skipping.
Residue LEU  211 is missing expected H atoms. Skipping.
Residue SER  212 is missing expected H atoms. Skipping.
Residue LYS  213 is missing expected H atoms. Skipping.
Residue ALA  214 is missing expected H atoms. Skipping.
Residue TYR  216 is missing expected H atoms. Skipping.
Residue LYS  218 is missing expected H atoms. Skipping.
Residue LYS  220 is missing expected H atoms. Skipping.
Residue VAL  221 is missing expected H atoms. Skipping.
Residue TYR  222 is missing expected H atoms. Skipping.
Residue ALA  223 is missing expected H atoms. Skipping.
Residue VAL  226 is missing expected H atoms. Skipping.
Residue THR  227 is missing expected H atoms. Skipping.
Residue LEU  231 is missing expected H atoms. Skipping.
Residue SER  232 is missing expected H atoms. Skipping.
Residue SER  233 is missing expected H atoms. Skipping.
Residue VAL  235 is missing expected H atoms. Skipping.
Residue THR  236 is missing expected H atoms. Skipping.
Residue LYS  237 is missing expected H atoms. Skipping.
Residue SER  238 is missing expected H atoms. Skipping.
Residue LEU   12 is missing expected H atoms. Skipping.
Residue MET   13 is missing expected H atoms. Skipping.
Residue LYS   14 is missing expected H atoms. Skipping.
Residue THR   18 is missing expected H atoms. Skipping.
Residue LEU   19 is missing expected H atoms. Skipping.
Residue SER   20 is missing expected H atoms. Skipping.
Residue LEU   21 is missing expected H atoms. Skipping.
Residue THR   22 is missing expected H atoms. Skipping.
Residue ALA   24 is missing expected H atoms. Skipping.
Residue ILE   25 is missing expected H atoms. Skipping.
Residue SER   26 is missing expected H atoms. Skipping.
Residue SER   29 is missing expected H atoms. Skipping.
Residue VAL   30 is missing expected H atoms. Skipping.
Residue SER   31 is missing expected H atoms. Skipping.
Residue SER   32 is missing expected H atoms. Skipping.
Residue SER   34 is missing expected H atoms. Skipping.
Residue ALA   35 is missing expected H atoms. Skipping.
Residue ALA   36 is missing expected H atoms. Skipping.
Residue ILE   40 is missing expected H atoms. Skipping.
Residue SER   43 is missing expected H atoms. Skipping.
Residue SER   45 is missing expected H atoms. Skipping.
Residue LEU   48 is missing expected H atoms. Skipping.
Residue LEU   51 is missing expected H atoms. Skipping.
Residue THR   54 is missing expected H atoms. Skipping.
Residue TYR   55 is missing expected H atoms. Skipping.
Residue TYR   56 is missing expected H atoms. Skipping.
Residue SER   58 is missing expected H atoms. Skipping.
Residue LYS   59 is missing expected H atoms. Skipping.
Residue TYR   61 is missing expected H atoms. Skipping.
Residue TYR   64 is missing expected H atoms. Skipping.
Residue ALA   65 is missing expected H atoms. Skipping.
Residue VAL   66 is missing expected H atoms. Skipping.
Residue SER   67 is missing expected H atoms. Skipping.
Residue VAL   68 is missing expected H atoms. Skipping.
Residue LYS   69 is missing expected H atoms. Skipping.
Residue SER   70 is missing expected H atoms. Skipping.
Residue ILE   72 is missing expected H atoms. Skipping.
Residue THR   73 is missing expected H atoms. Skipping.
Residue ILE   74 is missing expected H atoms. Skipping.
Residue THR   78 is missing expected H atoms. Skipping.
Residue SER   79 is missing expected H atoms. Skipping.
Residue LYS   80 is missing expected H atoms. Skipping.
Residue SER   84 is missing expected H atoms. Skipping.
Residue LEU   85 is missing expected H atoms. Skipping.
Residue LEU   87 is missing expected H atoms. Skipping.
Residue SER   89 is missing expected H atoms. Skipping.
Residue VAL   90 is missing expected H atoms. Skipping.
Residue THR   91 is missing expected H atoms. Skipping.
Residue THR   95 is missing expected H atoms. Skipping.
Residue ALA   96 is missing expected H atoms. Skipping.
Residue VAL   97 is missing expected H atoms. Skipping.
Residue TYR   98 is missing expected H atoms. Skipping.
Residue TYR   99 is missing expected H atoms. Skipping.
Residue ALA  101 is missing expected H atoms. Skipping.
Residue ALA  103 is missing expected H atoms. Skipping.
Residue VAL  104 is missing expected H atoms. Skipping.
Residue ALA  105 is missing expected H atoms. Skipping.
Residue ALA  106 is missing expected H atoms. Skipping.
Residue SER  107 is missing expected H atoms. Skipping.
Residue TYR  110 is missing expected H atoms. Skipping.
Residue THR  115 is missing expected H atoms. Skipping.
Residue LEU  116 is missing expected H atoms. Skipping.
Residue VAL  117 is missing expected H atoms. Skipping.
Residue THR  118 is missing expected H atoms. Skipping.
Residue VAL  119 is missing expected H atoms. Skipping.
Residue SER  120 is missing expected H atoms. Skipping.
Residue SER  121 is missing expected H atoms. Skipping.
Residue ALA  122 is missing expected H atoms. Skipping.
Residue SER  123 is missing expected H atoms. Skipping.
Residue THR  124 is missing expected H atoms. Skipping.
Residue LYS  125 is missing expected H atoms. Skipping.
Residue SER  128 is missing expected H atoms. Skipping.
Residue VAL  129 is missing expected H atoms. Skipping.
Residue LEU  132 is missing expected H atoms. Skipping.
Residue ALA  133 is missing expected H atoms. Skipping.
Residue SER  135 is missing expected H atoms. Skipping.
Residue SER  136 is missing expected H atoms. Skipping.
Residue LYS  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue THR  139 is missing expected H atoms. Skipping.
Residue SER  140 is missing expected H atoms. Skipping.
Residue THR  143 is missing expected H atoms. Skipping.
Residue ALA  144 is missing expected H atoms. Skipping.
Residue ALA  145 is missing expected H atoms. Skipping.
Residue LEU  146 is missing expected H atoms. Skipping.
Residue LEU  149 is missing expected H atoms. Skipping.
Residue VAL  150 is missing expected H atoms. Skipping.
Residue LYS  151 is missing expected H atoms. Skipping.
Residue TYR  153 is missing expected H atoms. Skipping.
Residue VAL  158 is missing expected H atoms. Skipping.
Residue THR  159 is missing expected H atoms. Skipping.
Residue VAL  160 is missing expected H atoms. Skipping.
Residue SER  161 is missing expected H atoms. Skipping.
Residue SER  164 is missing expected H atoms. Skipping.
Residue ALA  166 is missing expected H atoms. Skipping.
Residue LEU  167 is missing expected H atoms. Skipping.
Residue THR  168 is missing expected H atoms. Skipping.
Residue SER  169 is missing expected H atoms. Skipping.
Residue VAL  171 is missing expected H atoms. Skipping.
Residue THR  173 is missing expected H atoms. Skipping.
Residue ALA  176 is missing expected H atoms. Skipping.
Residue VAL  177 is missing expected H atoms. Skipping.
Residue LEU  178 is missing expected H atoms. Skipping.
Residue SER  180 is missing expected H atoms. Skipping.
Residue SER  181 is missing expected H atoms. Skipping.
Residue LEU  183 is missing expected H atoms. Skipping.
Residue TYR  184 is missing expected H atoms. Skipping.
Residue SER  185 is missing expected H atoms. Skipping.
Residue LEU  186 is missing expected H atoms. Skipping.
Residue SER  187 is missing expected H atoms. Skipping.
Residue SER  188 is missing expected H atoms. Skipping.
Residue VAL  189 is missing expected H atoms. Skipping.
Residue VAL  190 is missing expected H atoms. Skipping.
Residue THR  191 is missing expected H atoms. Skipping.
Residue VAL  192 is missing expected H atoms. Skipping.
Residue SER  194 is missing expected H atoms. Skipping.
Residue SER  195 is missing expected H atoms. Skipping.
Residue SER  196 is missing expected H atoms. Skipping.
Residue LEU  197 is missing expected H atoms. Skipping.
Residue THR  199 is missing expected H atoms. Skipping.
Residue THR  201 is missing expected H atoms. Skipping.
Residue TYR  202 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue VAL  206 is missing expected H atoms. Skipping.
Residue LYS  209 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue THR  213 is missing expected H atoms. Skipping.
Residue LYS  214 is missing expected H atoms. Skipping.
Residue VAL  215 is missing expected H atoms. Skipping.
Residue LYS  217 is missing expected H atoms. Skipping.
Residue LYS  218 is missing expected H atoms. Skipping.
Residue VAL  219 is missing expected H atoms. Skipping.
Residue LYS  222 is missing expected H atoms. Skipping.
Residue SER  223 is missing expected H atoms. Skipping.
Evaluate side-chains
  14 residues out of total 858 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 0
    poor density    : 14
  time to evaluate  : 0.205 
Fit side-chains
  outliers start: 0
  outliers final: 0
  residues processed: 14
  average time/residue: 0.0295
  time to fit residues: 1.0472
Evaluate side-chains
  14 residues out of total 858 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 0
    poor density    : 14
  time to evaluate  : 0.194 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Rotamers are restrained with sigma=3.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 98
   random chunks:
   chunk 25 optimal weight:   50.0000
   chunk 6 optimal weight:   30.0000
   chunk 18 optimal weight:    0.7980
   chunk 15 optimal weight:    7.9990
   chunk 20 optimal weight:   30.0000
   chunk 72 optimal weight:    7.9990
   chunk 11 optimal weight:   40.0000
   chunk 16 optimal weight:   10.0000
   chunk 14 optimal weight:    0.9990
   chunk 85 optimal weight:    8.9990
   chunk 37 optimal weight:   50.0000
   overall best weight:    5.3588

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

No N/Q/H corrections needed this macrocycle
-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.3861 r_free = 0.3861 target = 0.084118 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 40)----------------|
| r_work = 0.3631 r_free = 0.3631 target = 0.065687 restraints weight = 103127.671|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 26)----------------|
| r_work = 0.3521 r_free = 0.3521 target = 0.063183 restraints weight = 86425.479|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 31)----------------|
| r_work = 0.3503 r_free = 0.3503 target = 0.062715 restraints weight = 96026.583|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 4; iterations = 25)----------------|
| r_work = 0.3510 r_free = 0.3510 target = 0.062737 restraints weight = 83816.225|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 5; iterations = 23)----------------|
| r_work = 0.3512 r_free = 0.3512 target = 0.062773 restraints weight = 70100.507|
|-----------------------------------------------------------------------------|
r_work (final): 0.3180
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.6317
moved from start:          1.5883

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.003   0.016   3968  Z= 0.204
  Angle     :  0.581   6.548   4956  Z= 0.368
  Chirality :  0.000   0.000      0
  Planarity :  0.004   0.026    992
  Dihedral  :  6.166  53.447    992
  Min Nonbonded Distance : 2.357

Molprobity Statistics.
  All-atom Clashscore : 5.57
  Ramachandran Plot:
    Outliers :  0.41 %
    Allowed  : 13.62 %
    Favored  : 85.98 %
  Rotamer:
    Outliers :  0.00 %
    Allowed  :  0.00 %
    Favored  :  0.00 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 2.27 %
    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 are not related in a simple way.
  whole: -2.07 (0.28), residues: 984
  helix:  0.49 (0.27), residues: 418
  sheet: -2.34 (0.43), residues: 135
  loop : -3.03 (0.30), residues: 431


Details of bonding type rmsd/Z
  covalent geometry    : bond        0.00267 /  0.20 ( 3968)
  covalent geometry    : angle       0.58096 /  0.37 ( 4956)
  hydrogen bonds       : bond        0.05027 /  3.94 (  429)
  hydrogen bonds       : angle       7.06609 /  5.90 ( 1269)

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

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

  1968 Ramachandran restraints generated.
    984 Oldfield, 0 Emsley, 984 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  1968 Ramachandran restraints generated.
    984 Oldfield, 0 Emsley, 984 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Residue SER   23 is missing expected H atoms. Skipping.
Residue SER   25 is missing expected H atoms. Skipping.
Residue ALA   26 is missing expected H atoms. Skipping.
Residue LEU   29 is missing expected H atoms. Skipping.
Residue LYS   30 is missing expected H atoms. Skipping.
Residue LEU   36 is missing expected H atoms. Skipping.
Residue VAL   38 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue TYR   42 is missing expected H atoms. Skipping.
Residue ALA   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 TYR   49 is missing expected H atoms. Skipping.
Residue ALA   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   54 is missing expected H atoms. Skipping.
Residue LEU   58 is missing expected H atoms. Skipping.
Residue VAL   59 is missing expected H atoms. Skipping.
Residue ALA   60 is missing expected H atoms. Skipping.
Residue VAL   61 is missing expected H atoms. Skipping.
Residue TYR   62 is missing expected H atoms. Skipping.
Residue TYR   63 is missing expected H atoms. Skipping.
Residue THR   64 is missing expected H atoms. Skipping.
Residue ALA   67 is missing expected H atoms. Skipping.
Residue LEU   68 is missing expected H atoms. Skipping.
Residue TYR   70 is missing expected H atoms. Skipping.
Residue LEU   71 is missing expected H atoms. Skipping.
Residue LYS   72 is missing expected H atoms. Skipping.
Residue MET   73 is missing expected H atoms. Skipping.
Residue ALA   79 is missing expected H atoms. Skipping.
Residue LEU   80 is missing expected H atoms. Skipping.
Residue ALA   81 is missing expected H atoms. Skipping.
Residue ALA   86 is missing expected H atoms. Skipping.
Residue LEU   87 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue SER   93 is missing expected H atoms. Skipping.
Residue VAL   94 is missing expected H atoms. Skipping.
Residue LYS   95 is missing expected H atoms. Skipping.
Residue ALA   96 is missing expected H atoms. Skipping.
Residue LEU  100 is missing expected H atoms. Skipping.
Residue LEU  105 is missing expected H atoms. Skipping.
Residue MET  107 is missing expected H atoms. Skipping.
Residue SER  109 is missing expected H atoms. Skipping.
Residue TYR  110 is missing expected H atoms. Skipping.
Residue ALA  113 is missing expected H atoms. Skipping.
Residue ILE  114 is missing expected H atoms. Skipping.
Residue ALA  115 is missing expected H atoms. Skipping.
Residue LEU  117 is missing expected H atoms. Skipping.
Residue ALA  120 is missing expected H atoms. Skipping.
Residue TYR  121 is missing expected H atoms. Skipping.
Residue SER  122 is missing expected H atoms. Skipping.
Residue LEU  123 is missing expected H atoms. Skipping.
Residue ALA  124 is missing expected H atoms. Skipping.
Residue LYS  125 is missing expected H atoms. Skipping.
Residue LEU  129 is missing expected H atoms. Skipping.
Residue ILE  135 is missing expected H atoms. Skipping.
Residue SER  137 is missing expected H atoms. Skipping.
Residue ALA  138 is missing expected H atoms. Skipping.
Residue LEU  139 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue ALA  142 is missing expected H atoms. Skipping.
Residue LYS  143 is missing expected H atoms. Skipping.
Residue LYS  144 is missing expected H atoms. Skipping.
Residue LYS  145 is missing expected H atoms. Skipping.
Residue SER  149 is missing expected H atoms. Skipping.
Residue ILE  150 is missing expected H atoms. Skipping.
Residue ILE  155 is missing expected H atoms. Skipping.
Residue SER  159 is missing expected H atoms. Skipping.
Residue LEU  161 is missing expected H atoms. Skipping.
Residue SER  163 is missing expected H atoms. Skipping.
Residue TYR  164 is missing expected H atoms. Skipping.
Residue LEU  165 is missing expected H atoms. Skipping.
Residue SER  166 is missing expected H atoms. Skipping.
Residue LEU  168 is missing expected H atoms. Skipping.
Residue ILE  169 is missing expected H atoms. Skipping.
Residue ALA  170 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue LEU  177 is missing expected H atoms. Skipping.
Residue SER  191 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue ALA  195 is missing expected H atoms. Skipping.
Residue ALA  198 is missing expected H atoms. Skipping.
Residue ILE  200 is missing expected H atoms. Skipping.
Residue ALA  202 is missing expected H atoms. Skipping.
Residue LYS  203 is missing expected H atoms. Skipping.
Residue LYS  206 is missing expected H atoms. Skipping.
Residue TYR  207 is missing expected H atoms. Skipping.
Residue MET  208 is missing expected H atoms. Skipping.
Residue ALA  209 is missing expected H atoms. Skipping.
Residue MET  211 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue SER  216 is missing expected H atoms. Skipping.
Residue VAL  218 is missing expected H atoms. Skipping.
Residue LYS  221 is missing expected H atoms. Skipping.
Residue LYS  223 is missing expected H atoms. Skipping.
Residue LYS  224 is missing expected H atoms. Skipping.
Residue ILE  227 is missing expected H atoms. Skipping.
Residue TYR  230 is missing expected H atoms. Skipping.
Residue LEU  231 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue ILE  235 is missing expected H atoms. Skipping.
Residue SER  236 is missing expected H atoms. Skipping.
Residue LEU  239 is missing expected H atoms. Skipping.
Residue MET  240 is missing expected H atoms. Skipping.
Residue ILE  245 is missing expected H atoms. Skipping.
Residue THR  246 is missing expected H atoms. Skipping.
Residue SER  248 is missing expected H atoms. Skipping.
Residue ILE  250 is missing expected H atoms. Skipping.
Residue THR  251 is missing expected H atoms. Skipping.
Residue TYR  252 is missing expected H atoms. Skipping.
Residue LYS  255 is missing expected H atoms. Skipping.
Residue ILE  257 is missing expected H atoms. Skipping.
Residue LEU  261 is missing expected H atoms. Skipping.
Residue VAL  264 is missing expected H atoms. Skipping.
Residue VAL  270 is missing expected H atoms. Skipping.
Residue THR  271 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue LEU  275 is missing expected H atoms. Skipping.
Residue THR  276 is missing expected H atoms. Skipping.
Residue LEU  280 is missing expected H atoms. Skipping.
Residue ILE  281 is missing expected H atoms. Skipping.
Residue LEU  284 is missing expected H atoms. Skipping.
Residue ALA  285 is missing expected H atoms. Skipping.
Residue MET  286 is missing expected H atoms. Skipping.
Residue LYS  287 is missing expected H atoms. Skipping.
Residue VAL  289 is missing expected H atoms. Skipping.
Residue ILE  290 is missing expected H atoms. Skipping.
Residue ALA  292 is missing expected H atoms. Skipping.
Residue ILE  294 is missing expected H atoms. Skipping.
Residue SER  295 is missing expected H atoms. Skipping.
Residue VAL  300 is missing expected H atoms. Skipping.
Residue SER   23 is missing expected H atoms. Skipping.
Residue SER   25 is missing expected H atoms. Skipping.
Residue ALA   26 is missing expected H atoms. Skipping.
Residue LEU   29 is missing expected H atoms. Skipping.
Residue LYS   30 is missing expected H atoms. Skipping.
Residue LEU   36 is missing expected H atoms. Skipping.
Residue VAL   38 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue TYR   42 is missing expected H atoms. Skipping.
Residue ALA   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 TYR   49 is missing expected H atoms. Skipping.
Residue ALA   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   54 is missing expected H atoms. Skipping.
Residue LEU   58 is missing expected H atoms. Skipping.
Residue VAL   59 is missing expected H atoms. Skipping.
Residue ALA   60 is missing expected H atoms. Skipping.
Residue VAL   61 is missing expected H atoms. Skipping.
Residue TYR   62 is missing expected H atoms. Skipping.
Residue TYR   63 is missing expected H atoms. Skipping.
Residue THR   64 is missing expected H atoms. Skipping.
Residue ALA   67 is missing expected H atoms. Skipping.
Residue LEU   68 is missing expected H atoms. Skipping.
Residue TYR   70 is missing expected H atoms. Skipping.
Residue LEU   71 is missing expected H atoms. Skipping.
Residue LYS   72 is missing expected H atoms. Skipping.
Residue MET   73 is missing expected H atoms. Skipping.
Residue ALA   79 is missing expected H atoms. Skipping.
Residue LEU   80 is missing expected H atoms. Skipping.
Residue ALA   81 is missing expected H atoms. Skipping.
Residue ALA   86 is missing expected H atoms. Skipping.
Residue LEU   87 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue SER   93 is missing expected H atoms. Skipping.
Residue VAL   94 is missing expected H atoms. Skipping.
Residue LYS   95 is missing expected H atoms. Skipping.
Residue ALA   96 is missing expected H atoms. Skipping.
Residue LEU  100 is missing expected H atoms. Skipping.
Residue LEU  105 is missing expected H atoms. Skipping.
Residue MET  107 is missing expected H atoms. Skipping.
Residue SER  109 is missing expected H atoms. Skipping.
Residue TYR  110 is missing expected H atoms. Skipping.
Residue ALA  113 is missing expected H atoms. Skipping.
Residue ILE  114 is missing expected H atoms. Skipping.
Residue ALA  115 is missing expected H atoms. Skipping.
Residue LEU  117 is missing expected H atoms. Skipping.
Residue ALA  120 is missing expected H atoms. Skipping.
Residue TYR  121 is missing expected H atoms. Skipping.
Residue SER  122 is missing expected H atoms. Skipping.
Residue LEU  123 is missing expected H atoms. Skipping.
Residue ALA  124 is missing expected H atoms. Skipping.
Residue LYS  125 is missing expected H atoms. Skipping.
Residue LEU  129 is missing expected H atoms. Skipping.
Residue ILE  135 is missing expected H atoms. Skipping.
Residue SER  137 is missing expected H atoms. Skipping.
Residue ALA  138 is missing expected H atoms. Skipping.
Residue LEU  139 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue ALA  142 is missing expected H atoms. Skipping.
Residue LYS  143 is missing expected H atoms. Skipping.
Residue LYS  144 is missing expected H atoms. Skipping.
Residue LYS  145 is missing expected H atoms. Skipping.
Residue SER  149 is missing expected H atoms. Skipping.
Residue ILE  150 is missing expected H atoms. Skipping.
Residue ILE  155 is missing expected H atoms. Skipping.
Residue SER  159 is missing expected H atoms. Skipping.
Residue LEU  161 is missing expected H atoms. Skipping.
Residue SER  163 is missing expected H atoms. Skipping.
Residue TYR  164 is missing expected H atoms. Skipping.
Residue LEU  165 is missing expected H atoms. Skipping.
Residue SER  166 is missing expected H atoms. Skipping.
Residue LEU  168 is missing expected H atoms. Skipping.
Residue ILE  169 is missing expected H atoms. Skipping.
Residue ALA  170 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue LEU  177 is missing expected H atoms. Skipping.
Residue SER  191 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue ALA  195 is missing expected H atoms. Skipping.
Residue ALA  198 is missing expected H atoms. Skipping.
Residue ILE  200 is missing expected H atoms. Skipping.
Residue ALA  202 is missing expected H atoms. Skipping.
Residue LYS  203 is missing expected H atoms. Skipping.
Residue LYS  206 is missing expected H atoms. Skipping.
Residue TYR  207 is missing expected H atoms. Skipping.
Residue MET  208 is missing expected H atoms. Skipping.
Residue ALA  209 is missing expected H atoms. Skipping.
Residue MET  211 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue SER  216 is missing expected H atoms. Skipping.
Residue VAL  218 is missing expected H atoms. Skipping.
Residue LYS  221 is missing expected H atoms. Skipping.
Residue LYS  223 is missing expected H atoms. Skipping.
Residue LYS  224 is missing expected H atoms. Skipping.
Residue ILE  227 is missing expected H atoms. Skipping.
Residue TYR  230 is missing expected H atoms. Skipping.
Residue LEU  231 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue ILE  235 is missing expected H atoms. Skipping.
Residue SER  236 is missing expected H atoms. Skipping.
Residue LEU  239 is missing expected H atoms. Skipping.
Residue MET  240 is missing expected H atoms. Skipping.
Residue ILE  245 is missing expected H atoms. Skipping.
Residue THR  246 is missing expected H atoms. Skipping.
Residue SER  248 is missing expected H atoms. Skipping.
Residue ILE  250 is missing expected H atoms. Skipping.
Residue THR  251 is missing expected H atoms. Skipping.
Residue TYR  252 is missing expected H atoms. Skipping.
Residue LYS  255 is missing expected H atoms. Skipping.
Residue ILE  257 is missing expected H atoms. Skipping.
Residue LEU  261 is missing expected H atoms. Skipping.
Residue VAL  264 is missing expected H atoms. Skipping.
Residue VAL  270 is missing expected H atoms. Skipping.
Residue THR  271 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue LEU  275 is missing expected H atoms. Skipping.
Residue THR  276 is missing expected H atoms. Skipping.
Residue LEU  280 is missing expected H atoms. Skipping.
Residue ILE  281 is missing expected H atoms. Skipping.
Residue LEU  284 is missing expected H atoms. Skipping.
Residue ALA  285 is missing expected H atoms. Skipping.
Residue MET  286 is missing expected H atoms. Skipping.
Residue LYS  287 is missing expected H atoms. Skipping.
Residue VAL  289 is missing expected H atoms. Skipping.
Residue ILE  290 is missing expected H atoms. Skipping.
Residue ALA  292 is missing expected H atoms. Skipping.
Residue ILE  294 is missing expected H atoms. Skipping.
Residue SER  295 is missing expected H atoms. Skipping.
Residue VAL  300 is missing expected H atoms. Skipping.
Residue LEU   30 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 LEU   34 is missing expected H atoms. Skipping.
Residue THR   35 is missing expected H atoms. Skipping.
Residue SER   37 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 SER   42 is missing expected H atoms. Skipping.
Residue LEU   43 is missing expected H atoms. Skipping.
Residue SER   44 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue THR   50 is missing expected H atoms. Skipping.
Residue LEU   51 is missing expected H atoms. Skipping.
Residue SER   52 is missing expected H atoms. Skipping.
Residue ALA   55 is missing expected H atoms. Skipping.
Residue SER   56 is missing expected H atoms. Skipping.
Residue SER   58 is missing expected H atoms. Skipping.
Residue VAL   59 is missing expected H atoms. Skipping.
Residue SER   60 is missing expected H atoms. Skipping.
Residue SER   61 is missing expected H atoms. Skipping.
Residue THR   62 is missing expected H atoms. Skipping.
Residue LEU   64 is missing expected H atoms. Skipping.
Residue ALA   65 is missing expected H atoms. Skipping.
Residue TYR   67 is missing expected H atoms. Skipping.
Residue LYS   70 is missing expected H atoms. Skipping.
Residue ALA   74 is missing expected H atoms. Skipping.
Residue LEU   77 is missing expected H atoms. Skipping.
Residue LEU   78 is missing expected H atoms. Skipping.
Residue ILE   79 is missing expected H atoms. Skipping.
Residue TYR   80 is missing expected H atoms. Skipping.
Residue ALA   82 is missing expected H atoms. Skipping.
Residue SER   83 is missing expected H atoms. Skipping.
Residue ALA   86 is missing expected H atoms. Skipping.
Residue THR   87 is missing expected H atoms. Skipping.
Residue ILE   89 is missing expected H atoms. Skipping.
Residue SER   94 is missing expected H atoms. Skipping.
Residue SER   96 is missing expected H atoms. Skipping.
Residue SER   98 is missing expected H atoms. Skipping.
Residue THR  100 is missing expected H atoms. Skipping.
Residue THR  103 is missing expected H atoms. Skipping.
Residue LEU  104 is missing expected H atoms. Skipping.
Residue THR  105 is missing expected H atoms. Skipping.
Residue ILE  106 is missing expected H atoms. Skipping.
Residue SER  107 is missing expected H atoms. Skipping.
Residue LEU  109 is missing expected H atoms. Skipping.
Residue ALA  115 is missing expected H atoms. Skipping.
Residue VAL  116 is missing expected H atoms. Skipping.
Residue TYR  117 is missing expected H atoms. Skipping.
Residue TYR  118 is missing expected H atoms. Skipping.
Residue TYR  122 is missing expected H atoms. Skipping.
Residue ALA  124 is missing expected H atoms. Skipping.
Residue THR  125 is missing expected H atoms. Skipping.
Residue TYR  126 is missing expected H atoms. Skipping.
Residue THR  127 is missing expected H atoms. Skipping.
Residue THR  132 is missing expected H atoms. Skipping.
Residue LYS  133 is missing expected H atoms. Skipping.
Residue LEU  134 is missing expected H atoms. Skipping.
Residue ILE  136 is missing expected H atoms. Skipping.
Residue LYS  137 is missing expected H atoms. Skipping.
Residue THR  139 is missing expected H atoms. Skipping.
Residue VAL  140 is missing expected H atoms. Skipping.
Residue ALA  141 is missing expected H atoms. Skipping.
Residue ALA  142 is missing expected H atoms. Skipping.
Residue SER  144 is missing expected H atoms. Skipping.
Residue VAL  145 is missing expected H atoms. Skipping.
Residue ILE  147 is missing expected H atoms. Skipping.
Residue SER  151 is missing expected H atoms. Skipping.
Residue LEU  155 is missing expected H atoms. Skipping.
Residue LYS  156 is missing expected H atoms. Skipping.
Residue SER  157 is missing expected H atoms. Skipping.
Residue THR  159 is missing expected H atoms. Skipping.
Residue ALA  160 is missing expected H atoms. Skipping.
Residue SER  161 is missing expected H atoms. Skipping.
Residue VAL  162 is missing expected H atoms. Skipping.
Residue VAL  163 is missing expected H atoms. Skipping.
Residue LEU  165 is missing expected H atoms. Skipping.
Residue LEU  166 is missing expected H atoms. Skipping.
Residue TYR  170 is missing expected H atoms. Skipping.
Residue ALA  174 is missing expected H atoms. Skipping.
Residue LYS  175 is missing expected H atoms. Skipping.
Residue VAL  176 is missing expected H atoms. Skipping.
Residue LYS  179 is missing expected H atoms. Skipping.
Residue VAL  180 is missing expected H atoms. Skipping.
Residue ALA  183 is missing expected H atoms. Skipping.
Residue LEU  184 is missing expected H atoms. Skipping.
Residue SER  186 is missing expected H atoms. Skipping.
Residue SER  189 is missing expected H atoms. Skipping.
Residue SER  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue THR  194 is missing expected H atoms. Skipping.
Residue SER  198 is missing expected H atoms. Skipping.
Residue LYS  199 is missing expected H atoms. Skipping.
Residue SER  201 is missing expected H atoms. Skipping.
Residue THR  202 is missing expected H atoms. Skipping.
Residue TYR  203 is missing expected H atoms. Skipping.
Residue SER  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue SER  206 is missing expected H atoms. Skipping.
Residue SER  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  209 is missing expected H atoms. Skipping.
Residue THR  210 is missing expected H atoms. Skipping.
Residue LEU  211 is missing expected H atoms. Skipping.
Residue SER  212 is missing expected H atoms. Skipping.
Residue LYS  213 is missing expected H atoms. Skipping.
Residue ALA  214 is missing expected H atoms. Skipping.
Residue TYR  216 is missing expected H atoms. Skipping.
Residue LYS  218 is missing expected H atoms. Skipping.
Residue LYS  220 is missing expected H atoms. Skipping.
Residue VAL  221 is missing expected H atoms. Skipping.
Residue TYR  222 is missing expected H atoms. Skipping.
Residue ALA  223 is missing expected H atoms. Skipping.
Residue VAL  226 is missing expected H atoms. Skipping.
Residue THR  227 is missing expected H atoms. Skipping.
Residue LEU  231 is missing expected H atoms. Skipping.
Residue SER  232 is missing expected H atoms. Skipping.
Residue SER  233 is missing expected H atoms. Skipping.
Residue VAL  235 is missing expected H atoms. Skipping.
Residue THR  236 is missing expected H atoms. Skipping.
Residue LYS  237 is missing expected H atoms. Skipping.
Residue SER  238 is missing expected H atoms. Skipping.
Residue LEU   12 is missing expected H atoms. Skipping.
Residue MET   13 is missing expected H atoms. Skipping.
Residue LYS   14 is missing expected H atoms. Skipping.
Residue THR   18 is missing expected H atoms. Skipping.
Residue LEU   19 is missing expected H atoms. Skipping.
Residue SER   20 is missing expected H atoms. Skipping.
Residue LEU   21 is missing expected H atoms. Skipping.
Residue THR   22 is missing expected H atoms. Skipping.
Residue ALA   24 is missing expected H atoms. Skipping.
Residue ILE   25 is missing expected H atoms. Skipping.
Residue SER   26 is missing expected H atoms. Skipping.
Residue SER   29 is missing expected H atoms. Skipping.
Residue VAL   30 is missing expected H atoms. Skipping.
Residue SER   31 is missing expected H atoms. Skipping.
Residue SER   32 is missing expected H atoms. Skipping.
Residue SER   34 is missing expected H atoms. Skipping.
Residue ALA   35 is missing expected H atoms. Skipping.
Residue ALA   36 is missing expected H atoms. Skipping.
Residue ILE   40 is missing expected H atoms. Skipping.
Residue SER   43 is missing expected H atoms. Skipping.
Residue SER   45 is missing expected H atoms. Skipping.
Residue LEU   48 is missing expected H atoms. Skipping.
Residue LEU   51 is missing expected H atoms. Skipping.
Residue THR   54 is missing expected H atoms. Skipping.
Residue TYR   55 is missing expected H atoms. Skipping.
Residue TYR   56 is missing expected H atoms. Skipping.
Residue SER   58 is missing expected H atoms. Skipping.
Residue LYS   59 is missing expected H atoms. Skipping.
Residue TYR   61 is missing expected H atoms. Skipping.
Residue TYR   64 is missing expected H atoms. Skipping.
Residue ALA   65 is missing expected H atoms. Skipping.
Residue VAL   66 is missing expected H atoms. Skipping.
Residue SER   67 is missing expected H atoms. Skipping.
Residue VAL   68 is missing expected H atoms. Skipping.
Residue LYS   69 is missing expected H atoms. Skipping.
Residue SER   70 is missing expected H atoms. Skipping.
Residue ILE   72 is missing expected H atoms. Skipping.
Residue THR   73 is missing expected H atoms. Skipping.
Residue ILE   74 is missing expected H atoms. Skipping.
Residue THR   78 is missing expected H atoms. Skipping.
Residue SER   79 is missing expected H atoms. Skipping.
Residue LYS   80 is missing expected H atoms. Skipping.
Residue SER   84 is missing expected H atoms. Skipping.
Residue LEU   85 is missing expected H atoms. Skipping.
Residue LEU   87 is missing expected H atoms. Skipping.
Residue SER   89 is missing expected H atoms. Skipping.
Residue VAL   90 is missing expected H atoms. Skipping.
Residue THR   91 is missing expected H atoms. Skipping.
Residue THR   95 is missing expected H atoms. Skipping.
Residue ALA   96 is missing expected H atoms. Skipping.
Residue VAL   97 is missing expected H atoms. Skipping.
Residue TYR   98 is missing expected H atoms. Skipping.
Residue TYR   99 is missing expected H atoms. Skipping.
Residue ALA  101 is missing expected H atoms. Skipping.
Residue ALA  103 is missing expected H atoms. Skipping.
Residue VAL  104 is missing expected H atoms. Skipping.
Residue ALA  105 is missing expected H atoms. Skipping.
Residue ALA  106 is missing expected H atoms. Skipping.
Residue SER  107 is missing expected H atoms. Skipping.
Residue TYR  110 is missing expected H atoms. Skipping.
Residue THR  115 is missing expected H atoms. Skipping.
Residue LEU  116 is missing expected H atoms. Skipping.
Residue VAL  117 is missing expected H atoms. Skipping.
Residue THR  118 is missing expected H atoms. Skipping.
Residue VAL  119 is missing expected H atoms. Skipping.
Residue SER  120 is missing expected H atoms. Skipping.
Residue SER  121 is missing expected H atoms. Skipping.
Residue ALA  122 is missing expected H atoms. Skipping.
Residue SER  123 is missing expected H atoms. Skipping.
Residue THR  124 is missing expected H atoms. Skipping.
Residue LYS  125 is missing expected H atoms. Skipping.
Residue SER  128 is missing expected H atoms. Skipping.
Residue VAL  129 is missing expected H atoms. Skipping.
Residue LEU  132 is missing expected H atoms. Skipping.
Residue ALA  133 is missing expected H atoms. Skipping.
Residue SER  135 is missing expected H atoms. Skipping.
Residue SER  136 is missing expected H atoms. Skipping.
Residue LYS  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue THR  139 is missing expected H atoms. Skipping.
Residue SER  140 is missing expected H atoms. Skipping.
Residue THR  143 is missing expected H atoms. Skipping.
Residue ALA  144 is missing expected H atoms. Skipping.
Residue ALA  145 is missing expected H atoms. Skipping.
Residue LEU  146 is missing expected H atoms. Skipping.
Residue LEU  149 is missing expected H atoms. Skipping.
Residue VAL  150 is missing expected H atoms. Skipping.
Residue LYS  151 is missing expected H atoms. Skipping.
Residue TYR  153 is missing expected H atoms. Skipping.
Residue VAL  158 is missing expected H atoms. Skipping.
Residue THR  159 is missing expected H atoms. Skipping.
Residue VAL  160 is missing expected H atoms. Skipping.
Residue SER  161 is missing expected H atoms. Skipping.
Residue SER  164 is missing expected H atoms. Skipping.
Residue ALA  166 is missing expected H atoms. Skipping.
Residue LEU  167 is missing expected H atoms. Skipping.
Residue THR  168 is missing expected H atoms. Skipping.
Residue SER  169 is missing expected H atoms. Skipping.
Residue VAL  171 is missing expected H atoms. Skipping.
Residue THR  173 is missing expected H atoms. Skipping.
Residue ALA  176 is missing expected H atoms. Skipping.
Residue VAL  177 is missing expected H atoms. Skipping.
Residue LEU  178 is missing expected H atoms. Skipping.
Residue SER  180 is missing expected H atoms. Skipping.
Residue SER  181 is missing expected H atoms. Skipping.
Residue LEU  183 is missing expected H atoms. Skipping.
Residue TYR  184 is missing expected H atoms. Skipping.
Residue SER  185 is missing expected H atoms. Skipping.
Residue LEU  186 is missing expected H atoms. Skipping.
Residue SER  187 is missing expected H atoms. Skipping.
Residue SER  188 is missing expected H atoms. Skipping.
Residue VAL  189 is missing expected H atoms. Skipping.
Residue VAL  190 is missing expected H atoms. Skipping.
Residue THR  191 is missing expected H atoms. Skipping.
Residue VAL  192 is missing expected H atoms. Skipping.
Residue SER  194 is missing expected H atoms. Skipping.
Residue SER  195 is missing expected H atoms. Skipping.
Residue SER  196 is missing expected H atoms. Skipping.
Residue LEU  197 is missing expected H atoms. Skipping.
Residue THR  199 is missing expected H atoms. Skipping.
Residue THR  201 is missing expected H atoms. Skipping.
Residue TYR  202 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue VAL  206 is missing expected H atoms. Skipping.
Residue LYS  209 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue THR  213 is missing expected H atoms. Skipping.
Residue LYS  214 is missing expected H atoms. Skipping.
Residue VAL  215 is missing expected H atoms. Skipping.
Residue LYS  217 is missing expected H atoms. Skipping.
Residue LYS  218 is missing expected H atoms. Skipping.
Residue VAL  219 is missing expected H atoms. Skipping.
Residue LYS  222 is missing expected H atoms. Skipping.
Residue SER  223 is missing expected H atoms. Skipping.
Evaluate side-chains
  13 residues out of total 858 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 0
    poor density    : 13
  time to evaluate  : 0.186 
Fit side-chains
  outliers start: 0
  outliers final: 0
  residues processed: 13
  average time/residue: 0.0289
  time to fit residues: 0.9787
Evaluate side-chains
  13 residues out of total 858 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 0
    poor density    : 13
  time to evaluate  : 0.192 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Rotamers are restrained with sigma=2.50
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 98
   random chunks:
   chunk 84 optimal weight:   20.0000
   chunk 39 optimal weight:   30.0000
   chunk 7 optimal weight:    7.9990
   chunk 50 optimal weight:    8.9990
   chunk 64 optimal weight:   10.0000
   chunk 57 optimal weight:   30.0000
   chunk 83 optimal weight:    4.9990
   chunk 37 optimal weight:   30.0000
   chunk 9 optimal weight:   30.0000
   chunk 24 optimal weight:   40.0000
   chunk 22 optimal weight:   10.0000
   overall best weight:    8.3994

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

No N/Q/H corrections needed this macrocycle
-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.3822 r_free = 0.3822 target = 0.082492 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 49)----------------|
| r_work = 0.3563 r_free = 0.3563 target = 0.063490 restraints weight = 105344.260|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 28)----------------|
| r_work = 0.3470 r_free = 0.3470 target = 0.061476 restraints weight = 91181.326|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 24)----------------|
| r_work = 0.3470 r_free = 0.3470 target = 0.061364 restraints weight = 89304.289|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 4; iterations = 25)----------------|
| r_work = 0.3469 r_free = 0.3469 target = 0.061269 restraints weight = 86691.184|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 5; iterations = 27)----------------|
| r_work = 0.3500 r_free = 0.3500 target = 0.061941 restraints weight = 76511.516|
|-----------------------------------------------------------------------------|
r_work (final): 0.3164
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.6559
moved from start:          1.8175

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.004   0.022   3968  Z= 0.300
  Angle     :  0.806   7.513   4956  Z= 0.510
  Chirality :  0.000   0.000      0
  Planarity :  0.005   0.028    992
  Dihedral  :  7.678  48.790    992
  Min Nonbonded Distance : 2.254

Molprobity Statistics.
  All-atom Clashscore : 18.91
  Ramachandran Plot:
    Outliers :  0.41 %
    Allowed  : 22.36 %
    Favored  : 77.24 %
  Rotamer:
    Outliers :  0.00 %
    Allowed  :  0.00 %
    Favored  :  0.00 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 2.27 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.32 %

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 are not related in a simple way.
  whole: -3.11 (0.27), residues: 984
  helix: -0.41 (0.26), residues: 425
  sheet: -2.27 (0.47), residues: 113
  loop : -3.79 (0.27), residues: 446


Details of bonding type rmsd/Z
  covalent geometry    : bond        0.00395 /  0.30 ( 3968)
  covalent geometry    : angle       0.80620 /  0.51 ( 4956)
  hydrogen bonds       : bond        0.06735 /  5.29 (  429)
  hydrogen bonds       : angle       8.93802 /  7.44 ( 1269)

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

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

  1968 Ramachandran restraints generated.
    984 Oldfield, 0 Emsley, 984 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  1968 Ramachandran restraints generated.
    984 Oldfield, 0 Emsley, 984 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Residue SER   23 is missing expected H atoms. Skipping.
Residue SER   25 is missing expected H atoms. Skipping.
Residue ALA   26 is missing expected H atoms. Skipping.
Residue LEU   29 is missing expected H atoms. Skipping.
Residue LYS   30 is missing expected H atoms. Skipping.
Residue LEU   36 is missing expected H atoms. Skipping.
Residue VAL   38 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue TYR   42 is missing expected H atoms. Skipping.
Residue ALA   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 TYR   49 is missing expected H atoms. Skipping.
Residue ALA   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   54 is missing expected H atoms. Skipping.
Residue LEU   58 is missing expected H atoms. Skipping.
Residue VAL   59 is missing expected H atoms. Skipping.
Residue ALA   60 is missing expected H atoms. Skipping.
Residue VAL   61 is missing expected H atoms. Skipping.
Residue TYR   62 is missing expected H atoms. Skipping.
Residue TYR   63 is missing expected H atoms. Skipping.
Residue THR   64 is missing expected H atoms. Skipping.
Residue ALA   67 is missing expected H atoms. Skipping.
Residue LEU   68 is missing expected H atoms. Skipping.
Residue TYR   70 is missing expected H atoms. Skipping.
Residue LEU   71 is missing expected H atoms. Skipping.
Residue LYS   72 is missing expected H atoms. Skipping.
Residue MET   73 is missing expected H atoms. Skipping.
Residue ALA   79 is missing expected H atoms. Skipping.
Residue LEU   80 is missing expected H atoms. Skipping.
Residue ALA   81 is missing expected H atoms. Skipping.
Residue ALA   86 is missing expected H atoms. Skipping.
Residue LEU   87 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue SER   93 is missing expected H atoms. Skipping.
Residue VAL   94 is missing expected H atoms. Skipping.
Residue LYS   95 is missing expected H atoms. Skipping.
Residue ALA   96 is missing expected H atoms. Skipping.
Residue LEU  100 is missing expected H atoms. Skipping.
Residue LEU  105 is missing expected H atoms. Skipping.
Residue MET  107 is missing expected H atoms. Skipping.
Residue SER  109 is missing expected H atoms. Skipping.
Residue TYR  110 is missing expected H atoms. Skipping.
Residue ALA  113 is missing expected H atoms. Skipping.
Residue ILE  114 is missing expected H atoms. Skipping.
Residue ALA  115 is missing expected H atoms. Skipping.
Residue LEU  117 is missing expected H atoms. Skipping.
Residue ALA  120 is missing expected H atoms. Skipping.
Residue TYR  121 is missing expected H atoms. Skipping.
Residue SER  122 is missing expected H atoms. Skipping.
Residue LEU  123 is missing expected H atoms. Skipping.
Residue ALA  124 is missing expected H atoms. Skipping.
Residue LYS  125 is missing expected H atoms. Skipping.
Residue LEU  129 is missing expected H atoms. Skipping.
Residue ILE  135 is missing expected H atoms. Skipping.
Residue SER  137 is missing expected H atoms. Skipping.
Residue ALA  138 is missing expected H atoms. Skipping.
Residue LEU  139 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue ALA  142 is missing expected H atoms. Skipping.
Residue LYS  143 is missing expected H atoms. Skipping.
Residue LYS  144 is missing expected H atoms. Skipping.
Residue LYS  145 is missing expected H atoms. Skipping.
Residue SER  149 is missing expected H atoms. Skipping.
Residue ILE  150 is missing expected H atoms. Skipping.
Residue ILE  155 is missing expected H atoms. Skipping.
Residue SER  159 is missing expected H atoms. Skipping.
Residue LEU  161 is missing expected H atoms. Skipping.
Residue SER  163 is missing expected H atoms. Skipping.
Residue TYR  164 is missing expected H atoms. Skipping.
Residue LEU  165 is missing expected H atoms. Skipping.
Residue SER  166 is missing expected H atoms. Skipping.
Residue LEU  168 is missing expected H atoms. Skipping.
Residue ILE  169 is missing expected H atoms. Skipping.
Residue ALA  170 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue LEU  177 is missing expected H atoms. Skipping.
Residue SER  191 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue ALA  195 is missing expected H atoms. Skipping.
Residue ALA  198 is missing expected H atoms. Skipping.
Residue ILE  200 is missing expected H atoms. Skipping.
Residue ALA  202 is missing expected H atoms. Skipping.
Residue LYS  203 is missing expected H atoms. Skipping.
Residue LYS  206 is missing expected H atoms. Skipping.
Residue TYR  207 is missing expected H atoms. Skipping.
Residue MET  208 is missing expected H atoms. Skipping.
Residue ALA  209 is missing expected H atoms. Skipping.
Residue MET  211 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue SER  216 is missing expected H atoms. Skipping.
Residue VAL  218 is missing expected H atoms. Skipping.
Residue LYS  221 is missing expected H atoms. Skipping.
Residue LYS  223 is missing expected H atoms. Skipping.
Residue LYS  224 is missing expected H atoms. Skipping.
Residue ILE  227 is missing expected H atoms. Skipping.
Residue TYR  230 is missing expected H atoms. Skipping.
Residue LEU  231 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue ILE  235 is missing expected H atoms. Skipping.
Residue SER  236 is missing expected H atoms. Skipping.
Residue LEU  239 is missing expected H atoms. Skipping.
Residue MET  240 is missing expected H atoms. Skipping.
Residue ILE  245 is missing expected H atoms. Skipping.
Residue THR  246 is missing expected H atoms. Skipping.
Residue SER  248 is missing expected H atoms. Skipping.
Residue ILE  250 is missing expected H atoms. Skipping.
Residue THR  251 is missing expected H atoms. Skipping.
Residue TYR  252 is missing expected H atoms. Skipping.
Residue LYS  255 is missing expected H atoms. Skipping.
Residue ILE  257 is missing expected H atoms. Skipping.
Residue LEU  261 is missing expected H atoms. Skipping.
Residue VAL  264 is missing expected H atoms. Skipping.
Residue VAL  270 is missing expected H atoms. Skipping.
Residue THR  271 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue LEU  275 is missing expected H atoms. Skipping.
Residue THR  276 is missing expected H atoms. Skipping.
Residue LEU  280 is missing expected H atoms. Skipping.
Residue ILE  281 is missing expected H atoms. Skipping.
Residue LEU  284 is missing expected H atoms. Skipping.
Residue ALA  285 is missing expected H atoms. Skipping.
Residue MET  286 is missing expected H atoms. Skipping.
Residue LYS  287 is missing expected H atoms. Skipping.
Residue VAL  289 is missing expected H atoms. Skipping.
Residue ILE  290 is missing expected H atoms. Skipping.
Residue ALA  292 is missing expected H atoms. Skipping.
Residue ILE  294 is missing expected H atoms. Skipping.
Residue SER  295 is missing expected H atoms. Skipping.
Residue VAL  300 is missing expected H atoms. Skipping.
Residue SER   23 is missing expected H atoms. Skipping.
Residue SER   25 is missing expected H atoms. Skipping.
Residue ALA   26 is missing expected H atoms. Skipping.
Residue LEU   29 is missing expected H atoms. Skipping.
Residue LYS   30 is missing expected H atoms. Skipping.
Residue LEU   36 is missing expected H atoms. Skipping.
Residue VAL   38 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue TYR   42 is missing expected H atoms. Skipping.
Residue ALA   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 TYR   49 is missing expected H atoms. Skipping.
Residue ALA   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   54 is missing expected H atoms. Skipping.
Residue LEU   58 is missing expected H atoms. Skipping.
Residue VAL   59 is missing expected H atoms. Skipping.
Residue ALA   60 is missing expected H atoms. Skipping.
Residue VAL   61 is missing expected H atoms. Skipping.
Residue TYR   62 is missing expected H atoms. Skipping.
Residue TYR   63 is missing expected H atoms. Skipping.
Residue THR   64 is missing expected H atoms. Skipping.
Residue ALA   67 is missing expected H atoms. Skipping.
Residue LEU   68 is missing expected H atoms. Skipping.
Residue TYR   70 is missing expected H atoms. Skipping.
Residue LEU   71 is missing expected H atoms. Skipping.
Residue LYS   72 is missing expected H atoms. Skipping.
Residue MET   73 is missing expected H atoms. Skipping.
Residue ALA   79 is missing expected H atoms. Skipping.
Residue LEU   80 is missing expected H atoms. Skipping.
Residue ALA   81 is missing expected H atoms. Skipping.
Residue ALA   86 is missing expected H atoms. Skipping.
Residue LEU   87 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue SER   93 is missing expected H atoms. Skipping.
Residue VAL   94 is missing expected H atoms. Skipping.
Residue LYS   95 is missing expected H atoms. Skipping.
Residue ALA   96 is missing expected H atoms. Skipping.
Residue LEU  100 is missing expected H atoms. Skipping.
Residue LEU  105 is missing expected H atoms. Skipping.
Residue MET  107 is missing expected H atoms. Skipping.
Residue SER  109 is missing expected H atoms. Skipping.
Residue TYR  110 is missing expected H atoms. Skipping.
Residue ALA  113 is missing expected H atoms. Skipping.
Residue ILE  114 is missing expected H atoms. Skipping.
Residue ALA  115 is missing expected H atoms. Skipping.
Residue LEU  117 is missing expected H atoms. Skipping.
Residue ALA  120 is missing expected H atoms. Skipping.
Residue TYR  121 is missing expected H atoms. Skipping.
Residue SER  122 is missing expected H atoms. Skipping.
Residue LEU  123 is missing expected H atoms. Skipping.
Residue ALA  124 is missing expected H atoms. Skipping.
Residue LYS  125 is missing expected H atoms. Skipping.
Residue LEU  129 is missing expected H atoms. Skipping.
Residue ILE  135 is missing expected H atoms. Skipping.
Residue SER  137 is missing expected H atoms. Skipping.
Residue ALA  138 is missing expected H atoms. Skipping.
Residue LEU  139 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue ALA  142 is missing expected H atoms. Skipping.
Residue LYS  143 is missing expected H atoms. Skipping.
Residue LYS  144 is missing expected H atoms. Skipping.
Residue LYS  145 is missing expected H atoms. Skipping.
Residue SER  149 is missing expected H atoms. Skipping.
Residue ILE  150 is missing expected H atoms. Skipping.
Residue ILE  155 is missing expected H atoms. Skipping.
Residue SER  159 is missing expected H atoms. Skipping.
Residue LEU  161 is missing expected H atoms. Skipping.
Residue SER  163 is missing expected H atoms. Skipping.
Residue TYR  164 is missing expected H atoms. Skipping.
Residue LEU  165 is missing expected H atoms. Skipping.
Residue SER  166 is missing expected H atoms. Skipping.
Residue LEU  168 is missing expected H atoms. Skipping.
Residue ILE  169 is missing expected H atoms. Skipping.
Residue ALA  170 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue LEU  177 is missing expected H atoms. Skipping.
Residue SER  191 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue ALA  195 is missing expected H atoms. Skipping.
Residue ALA  198 is missing expected H atoms. Skipping.
Residue ILE  200 is missing expected H atoms. Skipping.
Residue ALA  202 is missing expected H atoms. Skipping.
Residue LYS  203 is missing expected H atoms. Skipping.
Residue LYS  206 is missing expected H atoms. Skipping.
Residue TYR  207 is missing expected H atoms. Skipping.
Residue MET  208 is missing expected H atoms. Skipping.
Residue ALA  209 is missing expected H atoms. Skipping.
Residue MET  211 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue SER  216 is missing expected H atoms. Skipping.
Residue VAL  218 is missing expected H atoms. Skipping.
Residue LYS  221 is missing expected H atoms. Skipping.
Residue LYS  223 is missing expected H atoms. Skipping.
Residue LYS  224 is missing expected H atoms. Skipping.
Residue ILE  227 is missing expected H atoms. Skipping.
Residue TYR  230 is missing expected H atoms. Skipping.
Residue LEU  231 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue ILE  235 is missing expected H atoms. Skipping.
Residue SER  236 is missing expected H atoms. Skipping.
Residue LEU  239 is missing expected H atoms. Skipping.
Residue MET  240 is missing expected H atoms. Skipping.
Residue ILE  245 is missing expected H atoms. Skipping.
Residue THR  246 is missing expected H atoms. Skipping.
Residue SER  248 is missing expected H atoms. Skipping.
Residue ILE  250 is missing expected H atoms. Skipping.
Residue THR  251 is missing expected H atoms. Skipping.
Residue TYR  252 is missing expected H atoms. Skipping.
Residue LYS  255 is missing expected H atoms. Skipping.
Residue ILE  257 is missing expected H atoms. Skipping.
Residue LEU  261 is missing expected H atoms. Skipping.
Residue VAL  264 is missing expected H atoms. Skipping.
Residue VAL  270 is missing expected H atoms. Skipping.
Residue THR  271 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue LEU  275 is missing expected H atoms. Skipping.
Residue THR  276 is missing expected H atoms. Skipping.
Residue LEU  280 is missing expected H atoms. Skipping.
Residue ILE  281 is missing expected H atoms. Skipping.
Residue LEU  284 is missing expected H atoms. Skipping.
Residue ALA  285 is missing expected H atoms. Skipping.
Residue MET  286 is missing expected H atoms. Skipping.
Residue LYS  287 is missing expected H atoms. Skipping.
Residue VAL  289 is missing expected H atoms. Skipping.
Residue ILE  290 is missing expected H atoms. Skipping.
Residue ALA  292 is missing expected H atoms. Skipping.
Residue ILE  294 is missing expected H atoms. Skipping.
Residue SER  295 is missing expected H atoms. Skipping.
Residue VAL  300 is missing expected H atoms. Skipping.
Residue LEU   30 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 LEU   34 is missing expected H atoms. Skipping.
Residue THR   35 is missing expected H atoms. Skipping.
Residue SER   37 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 SER   42 is missing expected H atoms. Skipping.
Residue LEU   43 is missing expected H atoms. Skipping.
Residue SER   44 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue THR   50 is missing expected H atoms. Skipping.
Residue LEU   51 is missing expected H atoms. Skipping.
Residue SER   52 is missing expected H atoms. Skipping.
Residue ALA   55 is missing expected H atoms. Skipping.
Residue SER   56 is missing expected H atoms. Skipping.
Residue SER   58 is missing expected H atoms. Skipping.
Residue VAL   59 is missing expected H atoms. Skipping.
Residue SER   60 is missing expected H atoms. Skipping.
Residue SER   61 is missing expected H atoms. Skipping.
Residue THR   62 is missing expected H atoms. Skipping.
Residue LEU   64 is missing expected H atoms. Skipping.
Residue ALA   65 is missing expected H atoms. Skipping.
Residue TYR   67 is missing expected H atoms. Skipping.
Residue LYS   70 is missing expected H atoms. Skipping.
Residue ALA   74 is missing expected H atoms. Skipping.
Residue LEU   77 is missing expected H atoms. Skipping.
Residue LEU   78 is missing expected H atoms. Skipping.
Residue ILE   79 is missing expected H atoms. Skipping.
Residue TYR   80 is missing expected H atoms. Skipping.
Residue ALA   82 is missing expected H atoms. Skipping.
Residue SER   83 is missing expected H atoms. Skipping.
Residue ALA   86 is missing expected H atoms. Skipping.
Residue THR   87 is missing expected H atoms. Skipping.
Residue ILE   89 is missing expected H atoms. Skipping.
Residue SER   94 is missing expected H atoms. Skipping.
Residue SER   96 is missing expected H atoms. Skipping.
Residue SER   98 is missing expected H atoms. Skipping.
Residue THR  100 is missing expected H atoms. Skipping.
Residue THR  103 is missing expected H atoms. Skipping.
Residue LEU  104 is missing expected H atoms. Skipping.
Residue THR  105 is missing expected H atoms. Skipping.
Residue ILE  106 is missing expected H atoms. Skipping.
Residue SER  107 is missing expected H atoms. Skipping.
Residue LEU  109 is missing expected H atoms. Skipping.
Residue ALA  115 is missing expected H atoms. Skipping.
Residue VAL  116 is missing expected H atoms. Skipping.
Residue TYR  117 is missing expected H atoms. Skipping.
Residue TYR  118 is missing expected H atoms. Skipping.
Residue TYR  122 is missing expected H atoms. Skipping.
Residue ALA  124 is missing expected H atoms. Skipping.
Residue THR  125 is missing expected H atoms. Skipping.
Residue TYR  126 is missing expected H atoms. Skipping.
Residue THR  127 is missing expected H atoms. Skipping.
Residue THR  132 is missing expected H atoms. Skipping.
Residue LYS  133 is missing expected H atoms. Skipping.
Residue LEU  134 is missing expected H atoms. Skipping.
Residue ILE  136 is missing expected H atoms. Skipping.
Residue LYS  137 is missing expected H atoms. Skipping.
Residue THR  139 is missing expected H atoms. Skipping.
Residue VAL  140 is missing expected H atoms. Skipping.
Residue ALA  141 is missing expected H atoms. Skipping.
Residue ALA  142 is missing expected H atoms. Skipping.
Residue SER  144 is missing expected H atoms. Skipping.
Residue VAL  145 is missing expected H atoms. Skipping.
Residue ILE  147 is missing expected H atoms. Skipping.
Residue SER  151 is missing expected H atoms. Skipping.
Residue LEU  155 is missing expected H atoms. Skipping.
Residue LYS  156 is missing expected H atoms. Skipping.
Residue SER  157 is missing expected H atoms. Skipping.
Residue THR  159 is missing expected H atoms. Skipping.
Residue ALA  160 is missing expected H atoms. Skipping.
Residue SER  161 is missing expected H atoms. Skipping.
Residue VAL  162 is missing expected H atoms. Skipping.
Residue VAL  163 is missing expected H atoms. Skipping.
Residue LEU  165 is missing expected H atoms. Skipping.
Residue LEU  166 is missing expected H atoms. Skipping.
Residue TYR  170 is missing expected H atoms. Skipping.
Residue ALA  174 is missing expected H atoms. Skipping.
Residue LYS  175 is missing expected H atoms. Skipping.
Residue VAL  176 is missing expected H atoms. Skipping.
Residue LYS  179 is missing expected H atoms. Skipping.
Residue VAL  180 is missing expected H atoms. Skipping.
Residue ALA  183 is missing expected H atoms. Skipping.
Residue LEU  184 is missing expected H atoms. Skipping.
Residue SER  186 is missing expected H atoms. Skipping.
Residue SER  189 is missing expected H atoms. Skipping.
Residue SER  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue THR  194 is missing expected H atoms. Skipping.
Residue SER  198 is missing expected H atoms. Skipping.
Residue LYS  199 is missing expected H atoms. Skipping.
Residue SER  201 is missing expected H atoms. Skipping.
Residue THR  202 is missing expected H atoms. Skipping.
Residue TYR  203 is missing expected H atoms. Skipping.
Residue SER  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue SER  206 is missing expected H atoms. Skipping.
Residue SER  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  209 is missing expected H atoms. Skipping.
Residue THR  210 is missing expected H atoms. Skipping.
Residue LEU  211 is missing expected H atoms. Skipping.
Residue SER  212 is missing expected H atoms. Skipping.
Residue LYS  213 is missing expected H atoms. Skipping.
Residue ALA  214 is missing expected H atoms. Skipping.
Residue TYR  216 is missing expected H atoms. Skipping.
Residue LYS  218 is missing expected H atoms. Skipping.
Residue LYS  220 is missing expected H atoms. Skipping.
Residue VAL  221 is missing expected H atoms. Skipping.
Residue TYR  222 is missing expected H atoms. Skipping.
Residue ALA  223 is missing expected H atoms. Skipping.
Residue VAL  226 is missing expected H atoms. Skipping.
Residue THR  227 is missing expected H atoms. Skipping.
Residue LEU  231 is missing expected H atoms. Skipping.
Residue SER  232 is missing expected H atoms. Skipping.
Residue SER  233 is missing expected H atoms. Skipping.
Residue VAL  235 is missing expected H atoms. Skipping.
Residue THR  236 is missing expected H atoms. Skipping.
Residue LYS  237 is missing expected H atoms. Skipping.
Residue SER  238 is missing expected H atoms. Skipping.
Residue LEU   12 is missing expected H atoms. Skipping.
Residue MET   13 is missing expected H atoms. Skipping.
Residue LYS   14 is missing expected H atoms. Skipping.
Residue THR   18 is missing expected H atoms. Skipping.
Residue LEU   19 is missing expected H atoms. Skipping.
Residue SER   20 is missing expected H atoms. Skipping.
Residue LEU   21 is missing expected H atoms. Skipping.
Residue THR   22 is missing expected H atoms. Skipping.
Residue ALA   24 is missing expected H atoms. Skipping.
Residue ILE   25 is missing expected H atoms. Skipping.
Residue SER   26 is missing expected H atoms. Skipping.
Residue SER   29 is missing expected H atoms. Skipping.
Residue VAL   30 is missing expected H atoms. Skipping.
Residue SER   31 is missing expected H atoms. Skipping.
Residue SER   32 is missing expected H atoms. Skipping.
Residue SER   34 is missing expected H atoms. Skipping.
Residue ALA   35 is missing expected H atoms. Skipping.
Residue ALA   36 is missing expected H atoms. Skipping.
Residue ILE   40 is missing expected H atoms. Skipping.
Residue SER   43 is missing expected H atoms. Skipping.
Residue SER   45 is missing expected H atoms. Skipping.
Residue LEU   48 is missing expected H atoms. Skipping.
Residue LEU   51 is missing expected H atoms. Skipping.
Residue THR   54 is missing expected H atoms. Skipping.
Residue TYR   55 is missing expected H atoms. Skipping.
Residue TYR   56 is missing expected H atoms. Skipping.
Residue SER   58 is missing expected H atoms. Skipping.
Residue LYS   59 is missing expected H atoms. Skipping.
Residue TYR   61 is missing expected H atoms. Skipping.
Residue TYR   64 is missing expected H atoms. Skipping.
Residue ALA   65 is missing expected H atoms. Skipping.
Residue VAL   66 is missing expected H atoms. Skipping.
Residue SER   67 is missing expected H atoms. Skipping.
Residue VAL   68 is missing expected H atoms. Skipping.
Residue LYS   69 is missing expected H atoms. Skipping.
Residue SER   70 is missing expected H atoms. Skipping.
Residue ILE   72 is missing expected H atoms. Skipping.
Residue THR   73 is missing expected H atoms. Skipping.
Residue ILE   74 is missing expected H atoms. Skipping.
Residue THR   78 is missing expected H atoms. Skipping.
Residue SER   79 is missing expected H atoms. Skipping.
Residue LYS   80 is missing expected H atoms. Skipping.
Residue SER   84 is missing expected H atoms. Skipping.
Residue LEU   85 is missing expected H atoms. Skipping.
Residue LEU   87 is missing expected H atoms. Skipping.
Residue SER   89 is missing expected H atoms. Skipping.
Residue VAL   90 is missing expected H atoms. Skipping.
Residue THR   91 is missing expected H atoms. Skipping.
Residue THR   95 is missing expected H atoms. Skipping.
Residue ALA   96 is missing expected H atoms. Skipping.
Residue VAL   97 is missing expected H atoms. Skipping.
Residue TYR   98 is missing expected H atoms. Skipping.
Residue TYR   99 is missing expected H atoms. Skipping.
Residue ALA  101 is missing expected H atoms. Skipping.
Residue ALA  103 is missing expected H atoms. Skipping.
Residue VAL  104 is missing expected H atoms. Skipping.
Residue ALA  105 is missing expected H atoms. Skipping.
Residue ALA  106 is missing expected H atoms. Skipping.
Residue SER  107 is missing expected H atoms. Skipping.
Residue TYR  110 is missing expected H atoms. Skipping.
Residue THR  115 is missing expected H atoms. Skipping.
Residue LEU  116 is missing expected H atoms. Skipping.
Residue VAL  117 is missing expected H atoms. Skipping.
Residue THR  118 is missing expected H atoms. Skipping.
Residue VAL  119 is missing expected H atoms. Skipping.
Residue SER  120 is missing expected H atoms. Skipping.
Residue SER  121 is missing expected H atoms. Skipping.
Residue ALA  122 is missing expected H atoms. Skipping.
Residue SER  123 is missing expected H atoms. Skipping.
Residue THR  124 is missing expected H atoms. Skipping.
Residue LYS  125 is missing expected H atoms. Skipping.
Residue SER  128 is missing expected H atoms. Skipping.
Residue VAL  129 is missing expected H atoms. Skipping.
Residue LEU  132 is missing expected H atoms. Skipping.
Residue ALA  133 is missing expected H atoms. Skipping.
Residue SER  135 is missing expected H atoms. Skipping.
Residue SER  136 is missing expected H atoms. Skipping.
Residue LYS  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue THR  139 is missing expected H atoms. Skipping.
Residue SER  140 is missing expected H atoms. Skipping.
Residue THR  143 is missing expected H atoms. Skipping.
Residue ALA  144 is missing expected H atoms. Skipping.
Residue ALA  145 is missing expected H atoms. Skipping.
Residue LEU  146 is missing expected H atoms. Skipping.
Residue LEU  149 is missing expected H atoms. Skipping.
Residue VAL  150 is missing expected H atoms. Skipping.
Residue LYS  151 is missing expected H atoms. Skipping.
Residue TYR  153 is missing expected H atoms. Skipping.
Residue VAL  158 is missing expected H atoms. Skipping.
Residue THR  159 is missing expected H atoms. Skipping.
Residue VAL  160 is missing expected H atoms. Skipping.
Residue SER  161 is missing expected H atoms. Skipping.
Residue SER  164 is missing expected H atoms. Skipping.
Residue ALA  166 is missing expected H atoms. Skipping.
Residue LEU  167 is missing expected H atoms. Skipping.
Residue THR  168 is missing expected H atoms. Skipping.
Residue SER  169 is missing expected H atoms. Skipping.
Residue VAL  171 is missing expected H atoms. Skipping.
Residue THR  173 is missing expected H atoms. Skipping.
Residue ALA  176 is missing expected H atoms. Skipping.
Residue VAL  177 is missing expected H atoms. Skipping.
Residue LEU  178 is missing expected H atoms. Skipping.
Residue SER  180 is missing expected H atoms. Skipping.
Residue SER  181 is missing expected H atoms. Skipping.
Residue LEU  183 is missing expected H atoms. Skipping.
Residue TYR  184 is missing expected H atoms. Skipping.
Residue SER  185 is missing expected H atoms. Skipping.
Residue LEU  186 is missing expected H atoms. Skipping.
Residue SER  187 is missing expected H atoms. Skipping.
Residue SER  188 is missing expected H atoms. Skipping.
Residue VAL  189 is missing expected H atoms. Skipping.
Residue VAL  190 is missing expected H atoms. Skipping.
Residue THR  191 is missing expected H atoms. Skipping.
Residue VAL  192 is missing expected H atoms. Skipping.
Residue SER  194 is missing expected H atoms. Skipping.
Residue SER  195 is missing expected H atoms. Skipping.
Residue SER  196 is missing expected H atoms. Skipping.
Residue LEU  197 is missing expected H atoms. Skipping.
Residue THR  199 is missing expected H atoms. Skipping.
Residue THR  201 is missing expected H atoms. Skipping.
Residue TYR  202 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue VAL  206 is missing expected H atoms. Skipping.
Residue LYS  209 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue THR  213 is missing expected H atoms. Skipping.
Residue LYS  214 is missing expected H atoms. Skipping.
Residue VAL  215 is missing expected H atoms. Skipping.
Residue LYS  217 is missing expected H atoms. Skipping.
Residue LYS  218 is missing expected H atoms. Skipping.
Residue VAL  219 is missing expected H atoms. Skipping.
Residue LYS  222 is missing expected H atoms. Skipping.
Residue SER  223 is missing expected H atoms. Skipping.
Evaluate side-chains
  13 residues out of total 858 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 0
    poor density    : 13
  time to evaluate  : 0.203 
Fit side-chains
  outliers start: 0
  outliers final: 0
  residues processed: 13
  average time/residue: 0.0296
  time to fit residues: 0.9899
Evaluate side-chains
  13 residues out of total 858 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 0
    poor density    : 13
  time to evaluate  : 0.189 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Rotamers are restrained with sigma=2.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 98
   random chunks:
   chunk 12 optimal weight:   50.0000
   chunk 64 optimal weight:    9.9990
   chunk 84 optimal weight:    9.9990
   chunk 75 optimal weight:   50.0000
   chunk 50 optimal weight:   30.0000
   chunk 21 optimal weight:   30.0000
   chunk 17 optimal weight:   10.0000
   chunk 94 optimal weight:    9.9990
   chunk 4 optimal weight:   50.0000
   chunk 54 optimal weight:   40.0000
   chunk 18 optimal weight:   10.0000
   overall best weight:    9.9994

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

No N/Q/H corrections needed this macrocycle
-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.3815 r_free = 0.3815 target = 0.081848 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 48)----------------|
| r_work = 0.3623 r_free = 0.3623 target = 0.063928 restraints weight = 106504.672|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 29)----------------|
| r_work = 0.3482 r_free = 0.3482 target = 0.060690 restraints weight = 85960.860|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 31)----------------|
| r_work = 0.3478 r_free = 0.3478 target = 0.060624 restraints weight = 95753.103|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 4; iterations = 27)----------------|
| r_work = 0.3485 r_free = 0.3485 target = 0.060689 restraints weight = 83963.002|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 5; iterations = 28)----------------|
| r_work = 0.3491 r_free = 0.3491 target = 0.060807 restraints weight = 73609.073|
|-----------------------------------------------------------------------------|
r_work (final): 0.3163
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.6500
moved from start:          1.9963

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.004   0.021   3968  Z= 0.315
  Angle     :  0.832   8.285   4956  Z= 0.531
  Chirality :  0.000   0.000      0
  Planarity :  0.005   0.032    992
  Dihedral  :  8.092  38.072    992
  Min Nonbonded Distance : 2.270

Molprobity Statistics.
  All-atom Clashscore : 19.31
  Ramachandran Plot:
    Outliers :  0.61 %
    Allowed  : 19.00 %
    Favored  : 80.39 %
  Rotamer:
    Outliers :  0.00 %
    Allowed  :  0.00 %
    Favored  :  0.00 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 2.27 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.32 %

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 are not related in a simple way.
  whole: -3.67 (0.26), residues: 984
  helix: -0.89 (0.26), residues: 412
  sheet: -2.57 (0.45), residues: 109
  loop : -3.99 (0.26), residues: 463


Details of bonding type rmsd/Z
  covalent geometry    : bond        0.00412 /  0.31 ( 3968)
  covalent geometry    : angle       0.83222 /  0.53 ( 4956)
  hydrogen bonds       : bond        0.07040 /  5.53 (  429)
  hydrogen bonds       : angle       9.42372 /  7.86 ( 1269)

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

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

  1968 Ramachandran restraints generated.
    984 Oldfield, 0 Emsley, 984 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  1968 Ramachandran restraints generated.
    984 Oldfield, 0 Emsley, 984 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Residue SER   23 is missing expected H atoms. Skipping.
Residue SER   25 is missing expected H atoms. Skipping.
Residue ALA   26 is missing expected H atoms. Skipping.
Residue LEU   29 is missing expected H atoms. Skipping.
Residue LYS   30 is missing expected H atoms. Skipping.
Residue LEU   36 is missing expected H atoms. Skipping.
Residue VAL   38 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue TYR   42 is missing expected H atoms. Skipping.
Residue ALA   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 TYR   49 is missing expected H atoms. Skipping.
Residue ALA   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   54 is missing expected H atoms. Skipping.
Residue LEU   58 is missing expected H atoms. Skipping.
Residue VAL   59 is missing expected H atoms. Skipping.
Residue ALA   60 is missing expected H atoms. Skipping.
Residue VAL   61 is missing expected H atoms. Skipping.
Residue TYR   62 is missing expected H atoms. Skipping.
Residue TYR   63 is missing expected H atoms. Skipping.
Residue THR   64 is missing expected H atoms. Skipping.
Residue ALA   67 is missing expected H atoms. Skipping.
Residue LEU   68 is missing expected H atoms. Skipping.
Residue TYR   70 is missing expected H atoms. Skipping.
Residue LEU   71 is missing expected H atoms. Skipping.
Residue LYS   72 is missing expected H atoms. Skipping.
Residue MET   73 is missing expected H atoms. Skipping.
Residue ALA   79 is missing expected H atoms. Skipping.
Residue LEU   80 is missing expected H atoms. Skipping.
Residue ALA   81 is missing expected H atoms. Skipping.
Residue ALA   86 is missing expected H atoms. Skipping.
Residue LEU   87 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue SER   93 is missing expected H atoms. Skipping.
Residue VAL   94 is missing expected H atoms. Skipping.
Residue LYS   95 is missing expected H atoms. Skipping.
Residue ALA   96 is missing expected H atoms. Skipping.
Residue LEU  100 is missing expected H atoms. Skipping.
Residue LEU  105 is missing expected H atoms. Skipping.
Residue MET  107 is missing expected H atoms. Skipping.
Residue SER  109 is missing expected H atoms. Skipping.
Residue TYR  110 is missing expected H atoms. Skipping.
Residue ALA  113 is missing expected H atoms. Skipping.
Residue ILE  114 is missing expected H atoms. Skipping.
Residue ALA  115 is missing expected H atoms. Skipping.
Residue LEU  117 is missing expected H atoms. Skipping.
Residue ALA  120 is missing expected H atoms. Skipping.
Residue TYR  121 is missing expected H atoms. Skipping.
Residue SER  122 is missing expected H atoms. Skipping.
Residue LEU  123 is missing expected H atoms. Skipping.
Residue ALA  124 is missing expected H atoms. Skipping.
Residue LYS  125 is missing expected H atoms. Skipping.
Residue LEU  129 is missing expected H atoms. Skipping.
Residue ILE  135 is missing expected H atoms. Skipping.
Residue SER  137 is missing expected H atoms. Skipping.
Residue ALA  138 is missing expected H atoms. Skipping.
Residue LEU  139 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue ALA  142 is missing expected H atoms. Skipping.
Residue LYS  143 is missing expected H atoms. Skipping.
Residue LYS  144 is missing expected H atoms. Skipping.
Residue LYS  145 is missing expected H atoms. Skipping.
Residue SER  149 is missing expected H atoms. Skipping.
Residue ILE  150 is missing expected H atoms. Skipping.
Residue ILE  155 is missing expected H atoms. Skipping.
Residue SER  159 is missing expected H atoms. Skipping.
Residue LEU  161 is missing expected H atoms. Skipping.
Residue SER  163 is missing expected H atoms. Skipping.
Residue TYR  164 is missing expected H atoms. Skipping.
Residue LEU  165 is missing expected H atoms. Skipping.
Residue SER  166 is missing expected H atoms. Skipping.
Residue LEU  168 is missing expected H atoms. Skipping.
Residue ILE  169 is missing expected H atoms. Skipping.
Residue ALA  170 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue LEU  177 is missing expected H atoms. Skipping.
Residue SER  191 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue ALA  195 is missing expected H atoms. Skipping.
Residue ALA  198 is missing expected H atoms. Skipping.
Residue ILE  200 is missing expected H atoms. Skipping.
Residue ALA  202 is missing expected H atoms. Skipping.
Residue LYS  203 is missing expected H atoms. Skipping.
Residue LYS  206 is missing expected H atoms. Skipping.
Residue TYR  207 is missing expected H atoms. Skipping.
Residue MET  208 is missing expected H atoms. Skipping.
Residue ALA  209 is missing expected H atoms. Skipping.
Residue MET  211 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue SER  216 is missing expected H atoms. Skipping.
Residue VAL  218 is missing expected H atoms. Skipping.
Residue LYS  221 is missing expected H atoms. Skipping.
Residue LYS  223 is missing expected H atoms. Skipping.
Residue LYS  224 is missing expected H atoms. Skipping.
Residue ILE  227 is missing expected H atoms. Skipping.
Residue TYR  230 is missing expected H atoms. Skipping.
Residue LEU  231 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue ILE  235 is missing expected H atoms. Skipping.
Residue SER  236 is missing expected H atoms. Skipping.
Residue LEU  239 is missing expected H atoms. Skipping.
Residue MET  240 is missing expected H atoms. Skipping.
Residue ILE  245 is missing expected H atoms. Skipping.
Residue THR  246 is missing expected H atoms. Skipping.
Residue SER  248 is missing expected H atoms. Skipping.
Residue ILE  250 is missing expected H atoms. Skipping.
Residue THR  251 is missing expected H atoms. Skipping.
Residue TYR  252 is missing expected H atoms. Skipping.
Residue LYS  255 is missing expected H atoms. Skipping.
Residue ILE  257 is missing expected H atoms. Skipping.
Residue LEU  261 is missing expected H atoms. Skipping.
Residue VAL  264 is missing expected H atoms. Skipping.
Residue VAL  270 is missing expected H atoms. Skipping.
Residue THR  271 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue LEU  275 is missing expected H atoms. Skipping.
Residue THR  276 is missing expected H atoms. Skipping.
Residue LEU  280 is missing expected H atoms. Skipping.
Residue ILE  281 is missing expected H atoms. Skipping.
Residue LEU  284 is missing expected H atoms. Skipping.
Residue ALA  285 is missing expected H atoms. Skipping.
Residue MET  286 is missing expected H atoms. Skipping.
Residue LYS  287 is missing expected H atoms. Skipping.
Residue VAL  289 is missing expected H atoms. Skipping.
Residue ILE  290 is missing expected H atoms. Skipping.
Residue ALA  292 is missing expected H atoms. Skipping.
Residue ILE  294 is missing expected H atoms. Skipping.
Residue SER  295 is missing expected H atoms. Skipping.
Residue VAL  300 is missing expected H atoms. Skipping.
Residue SER   23 is missing expected H atoms. Skipping.
Residue SER   25 is missing expected H atoms. Skipping.
Residue ALA   26 is missing expected H atoms. Skipping.
Residue LEU   29 is missing expected H atoms. Skipping.
Residue LYS   30 is missing expected H atoms. Skipping.
Residue LEU   36 is missing expected H atoms. Skipping.
Residue VAL   38 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue TYR   42 is missing expected H atoms. Skipping.
Residue ALA   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 TYR   49 is missing expected H atoms. Skipping.
Residue ALA   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   54 is missing expected H atoms. Skipping.
Residue LEU   58 is missing expected H atoms. Skipping.
Residue VAL   59 is missing expected H atoms. Skipping.
Residue ALA   60 is missing expected H atoms. Skipping.
Residue VAL   61 is missing expected H atoms. Skipping.
Residue TYR   62 is missing expected H atoms. Skipping.
Residue TYR   63 is missing expected H atoms. Skipping.
Residue THR   64 is missing expected H atoms. Skipping.
Residue ALA   67 is missing expected H atoms. Skipping.
Residue LEU   68 is missing expected H atoms. Skipping.
Residue TYR   70 is missing expected H atoms. Skipping.
Residue LEU   71 is missing expected H atoms. Skipping.
Residue LYS   72 is missing expected H atoms. Skipping.
Residue MET   73 is missing expected H atoms. Skipping.
Residue ALA   79 is missing expected H atoms. Skipping.
Residue LEU   80 is missing expected H atoms. Skipping.
Residue ALA   81 is missing expected H atoms. Skipping.
Residue ALA   86 is missing expected H atoms. Skipping.
Residue LEU   87 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue SER   93 is missing expected H atoms. Skipping.
Residue VAL   94 is missing expected H atoms. Skipping.
Residue LYS   95 is missing expected H atoms. Skipping.
Residue ALA   96 is missing expected H atoms. Skipping.
Residue LEU  100 is missing expected H atoms. Skipping.
Residue LEU  105 is missing expected H atoms. Skipping.
Residue MET  107 is missing expected H atoms. Skipping.
Residue SER  109 is missing expected H atoms. Skipping.
Residue TYR  110 is missing expected H atoms. Skipping.
Residue ALA  113 is missing expected H atoms. Skipping.
Residue ILE  114 is missing expected H atoms. Skipping.
Residue ALA  115 is missing expected H atoms. Skipping.
Residue LEU  117 is missing expected H atoms. Skipping.
Residue ALA  120 is missing expected H atoms. Skipping.
Residue TYR  121 is missing expected H atoms. Skipping.
Residue SER  122 is missing expected H atoms. Skipping.
Residue LEU  123 is missing expected H atoms. Skipping.
Residue ALA  124 is missing expected H atoms. Skipping.
Residue LYS  125 is missing expected H atoms. Skipping.
Residue LEU  129 is missing expected H atoms. Skipping.
Residue ILE  135 is missing expected H atoms. Skipping.
Residue SER  137 is missing expected H atoms. Skipping.
Residue ALA  138 is missing expected H atoms. Skipping.
Residue LEU  139 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue ALA  142 is missing expected H atoms. Skipping.
Residue LYS  143 is missing expected H atoms. Skipping.
Residue LYS  144 is missing expected H atoms. Skipping.
Residue LYS  145 is missing expected H atoms. Skipping.
Residue SER  149 is missing expected H atoms. Skipping.
Residue ILE  150 is missing expected H atoms. Skipping.
Residue ILE  155 is missing expected H atoms. Skipping.
Residue SER  159 is missing expected H atoms. Skipping.
Residue LEU  161 is missing expected H atoms. Skipping.
Residue SER  163 is missing expected H atoms. Skipping.
Residue TYR  164 is missing expected H atoms. Skipping.
Residue LEU  165 is missing expected H atoms. Skipping.
Residue SER  166 is missing expected H atoms. Skipping.
Residue LEU  168 is missing expected H atoms. Skipping.
Residue ILE  169 is missing expected H atoms. Skipping.
Residue ALA  170 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue LEU  177 is missing expected H atoms. Skipping.
Residue SER  191 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue ALA  195 is missing expected H atoms. Skipping.
Residue ALA  198 is missing expected H atoms. Skipping.
Residue ILE  200 is missing expected H atoms. Skipping.
Residue ALA  202 is missing expected H atoms. Skipping.
Residue LYS  203 is missing expected H atoms. Skipping.
Residue LYS  206 is missing expected H atoms. Skipping.
Residue TYR  207 is missing expected H atoms. Skipping.
Residue MET  208 is missing expected H atoms. Skipping.
Residue ALA  209 is missing expected H atoms. Skipping.
Residue MET  211 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue SER  216 is missing expected H atoms. Skipping.
Residue VAL  218 is missing expected H atoms. Skipping.
Residue LYS  221 is missing expected H atoms. Skipping.
Residue LYS  223 is missing expected H atoms. Skipping.
Residue LYS  224 is missing expected H atoms. Skipping.
Residue ILE  227 is missing expected H atoms. Skipping.
Residue TYR  230 is missing expected H atoms. Skipping.
Residue LEU  231 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue ILE  235 is missing expected H atoms. Skipping.
Residue SER  236 is missing expected H atoms. Skipping.
Residue LEU  239 is missing expected H atoms. Skipping.
Residue MET  240 is missing expected H atoms. Skipping.
Residue ILE  245 is missing expected H atoms. Skipping.
Residue THR  246 is missing expected H atoms. Skipping.
Residue SER  248 is missing expected H atoms. Skipping.
Residue ILE  250 is missing expected H atoms. Skipping.
Residue THR  251 is missing expected H atoms. Skipping.
Residue TYR  252 is missing expected H atoms. Skipping.
Residue LYS  255 is missing expected H atoms. Skipping.
Residue ILE  257 is missing expected H atoms. Skipping.
Residue LEU  261 is missing expected H atoms. Skipping.
Residue VAL  264 is missing expected H atoms. Skipping.
Residue VAL  270 is missing expected H atoms. Skipping.
Residue THR  271 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue LEU  275 is missing expected H atoms. Skipping.
Residue THR  276 is missing expected H atoms. Skipping.
Residue LEU  280 is missing expected H atoms. Skipping.
Residue ILE  281 is missing expected H atoms. Skipping.
Residue LEU  284 is missing expected H atoms. Skipping.
Residue ALA  285 is missing expected H atoms. Skipping.
Residue MET  286 is missing expected H atoms. Skipping.
Residue LYS  287 is missing expected H atoms. Skipping.
Residue VAL  289 is missing expected H atoms. Skipping.
Residue ILE  290 is missing expected H atoms. Skipping.
Residue ALA  292 is missing expected H atoms. Skipping.
Residue ILE  294 is missing expected H atoms. Skipping.
Residue SER  295 is missing expected H atoms. Skipping.
Residue VAL  300 is missing expected H atoms. Skipping.
Residue LEU   30 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 LEU   34 is missing expected H atoms. Skipping.
Residue THR   35 is missing expected H atoms. Skipping.
Residue SER   37 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 SER   42 is missing expected H atoms. Skipping.
Residue LEU   43 is missing expected H atoms. Skipping.
Residue SER   44 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue THR   50 is missing expected H atoms. Skipping.
Residue LEU   51 is missing expected H atoms. Skipping.
Residue SER   52 is missing expected H atoms. Skipping.
Residue ALA   55 is missing expected H atoms. Skipping.
Residue SER   56 is missing expected H atoms. Skipping.
Residue SER   58 is missing expected H atoms. Skipping.
Residue VAL   59 is missing expected H atoms. Skipping.
Residue SER   60 is missing expected H atoms. Skipping.
Residue SER   61 is missing expected H atoms. Skipping.
Residue THR   62 is missing expected H atoms. Skipping.
Residue LEU   64 is missing expected H atoms. Skipping.
Residue ALA   65 is missing expected H atoms. Skipping.
Residue TYR   67 is missing expected H atoms. Skipping.
Residue LYS   70 is missing expected H atoms. Skipping.
Residue ALA   74 is missing expected H atoms. Skipping.
Residue LEU   77 is missing expected H atoms. Skipping.
Residue LEU   78 is missing expected H atoms. Skipping.
Residue ILE   79 is missing expected H atoms. Skipping.
Residue TYR   80 is missing expected H atoms. Skipping.
Residue ALA   82 is missing expected H atoms. Skipping.
Residue SER   83 is missing expected H atoms. Skipping.
Residue ALA   86 is missing expected H atoms. Skipping.
Residue THR   87 is missing expected H atoms. Skipping.
Residue ILE   89 is missing expected H atoms. Skipping.
Residue SER   94 is missing expected H atoms. Skipping.
Residue SER   96 is missing expected H atoms. Skipping.
Residue SER   98 is missing expected H atoms. Skipping.
Residue THR  100 is missing expected H atoms. Skipping.
Residue THR  103 is missing expected H atoms. Skipping.
Residue LEU  104 is missing expected H atoms. Skipping.
Residue THR  105 is missing expected H atoms. Skipping.
Residue ILE  106 is missing expected H atoms. Skipping.
Residue SER  107 is missing expected H atoms. Skipping.
Residue LEU  109 is missing expected H atoms. Skipping.
Residue ALA  115 is missing expected H atoms. Skipping.
Residue VAL  116 is missing expected H atoms. Skipping.
Residue TYR  117 is missing expected H atoms. Skipping.
Residue TYR  118 is missing expected H atoms. Skipping.
Residue TYR  122 is missing expected H atoms. Skipping.
Residue ALA  124 is missing expected H atoms. Skipping.
Residue THR  125 is missing expected H atoms. Skipping.
Residue TYR  126 is missing expected H atoms. Skipping.
Residue THR  127 is missing expected H atoms. Skipping.
Residue THR  132 is missing expected H atoms. Skipping.
Residue LYS  133 is missing expected H atoms. Skipping.
Residue LEU  134 is missing expected H atoms. Skipping.
Residue ILE  136 is missing expected H atoms. Skipping.
Residue LYS  137 is missing expected H atoms. Skipping.
Residue THR  139 is missing expected H atoms. Skipping.
Residue VAL  140 is missing expected H atoms. Skipping.
Residue ALA  141 is missing expected H atoms. Skipping.
Residue ALA  142 is missing expected H atoms. Skipping.
Residue SER  144 is missing expected H atoms. Skipping.
Residue VAL  145 is missing expected H atoms. Skipping.
Residue ILE  147 is missing expected H atoms. Skipping.
Residue SER  151 is missing expected H atoms. Skipping.
Residue LEU  155 is missing expected H atoms. Skipping.
Residue LYS  156 is missing expected H atoms. Skipping.
Residue SER  157 is missing expected H atoms. Skipping.
Residue THR  159 is missing expected H atoms. Skipping.
Residue ALA  160 is missing expected H atoms. Skipping.
Residue SER  161 is missing expected H atoms. Skipping.
Residue VAL  162 is missing expected H atoms. Skipping.
Residue VAL  163 is missing expected H atoms. Skipping.
Residue LEU  165 is missing expected H atoms. Skipping.
Residue LEU  166 is missing expected H atoms. Skipping.
Residue TYR  170 is missing expected H atoms. Skipping.
Residue ALA  174 is missing expected H atoms. Skipping.
Residue LYS  175 is missing expected H atoms. Skipping.
Residue VAL  176 is missing expected H atoms. Skipping.
Residue LYS  179 is missing expected H atoms. Skipping.
Residue VAL  180 is missing expected H atoms. Skipping.
Residue ALA  183 is missing expected H atoms. Skipping.
Residue LEU  184 is missing expected H atoms. Skipping.
Residue SER  186 is missing expected H atoms. Skipping.
Residue SER  189 is missing expected H atoms. Skipping.
Residue SER  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue THR  194 is missing expected H atoms. Skipping.
Residue SER  198 is missing expected H atoms. Skipping.
Residue LYS  199 is missing expected H atoms. Skipping.
Residue SER  201 is missing expected H atoms. Skipping.
Residue THR  202 is missing expected H atoms. Skipping.
Residue TYR  203 is missing expected H atoms. Skipping.
Residue SER  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue SER  206 is missing expected H atoms. Skipping.
Residue SER  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  209 is missing expected H atoms. Skipping.
Residue THR  210 is missing expected H atoms. Skipping.
Residue LEU  211 is missing expected H atoms. Skipping.
Residue SER  212 is missing expected H atoms. Skipping.
Residue LYS  213 is missing expected H atoms. Skipping.
Residue ALA  214 is missing expected H atoms. Skipping.
Residue TYR  216 is missing expected H atoms. Skipping.
Residue LYS  218 is missing expected H atoms. Skipping.
Residue LYS  220 is missing expected H atoms. Skipping.
Residue VAL  221 is missing expected H atoms. Skipping.
Residue TYR  222 is missing expected H atoms. Skipping.
Residue ALA  223 is missing expected H atoms. Skipping.
Residue VAL  226 is missing expected H atoms. Skipping.
Residue THR  227 is missing expected H atoms. Skipping.
Residue LEU  231 is missing expected H atoms. Skipping.
Residue SER  232 is missing expected H atoms. Skipping.
Residue SER  233 is missing expected H atoms. Skipping.
Residue VAL  235 is missing expected H atoms. Skipping.
Residue THR  236 is missing expected H atoms. Skipping.
Residue LYS  237 is missing expected H atoms. Skipping.
Residue SER  238 is missing expected H atoms. Skipping.
Residue LEU   12 is missing expected H atoms. Skipping.
Residue MET   13 is missing expected H atoms. Skipping.
Residue LYS   14 is missing expected H atoms. Skipping.
Residue THR   18 is missing expected H atoms. Skipping.
Residue LEU   19 is missing expected H atoms. Skipping.
Residue SER   20 is missing expected H atoms. Skipping.
Residue LEU   21 is missing expected H atoms. Skipping.
Residue THR   22 is missing expected H atoms. Skipping.
Residue ALA   24 is missing expected H atoms. Skipping.
Residue ILE   25 is missing expected H atoms. Skipping.
Residue SER   26 is missing expected H atoms. Skipping.
Residue SER   29 is missing expected H atoms. Skipping.
Residue VAL   30 is missing expected H atoms. Skipping.
Residue SER   31 is missing expected H atoms. Skipping.
Residue SER   32 is missing expected H atoms. Skipping.
Residue SER   34 is missing expected H atoms. Skipping.
Residue ALA   35 is missing expected H atoms. Skipping.
Residue ALA   36 is missing expected H atoms. Skipping.
Residue ILE   40 is missing expected H atoms. Skipping.
Residue SER   43 is missing expected H atoms. Skipping.
Residue SER   45 is missing expected H atoms. Skipping.
Residue LEU   48 is missing expected H atoms. Skipping.
Residue LEU   51 is missing expected H atoms. Skipping.
Residue THR   54 is missing expected H atoms. Skipping.
Residue TYR   55 is missing expected H atoms. Skipping.
Residue TYR   56 is missing expected H atoms. Skipping.
Residue SER   58 is missing expected H atoms. Skipping.
Residue LYS   59 is missing expected H atoms. Skipping.
Residue TYR   61 is missing expected H atoms. Skipping.
Residue TYR   64 is missing expected H atoms. Skipping.
Residue ALA   65 is missing expected H atoms. Skipping.
Residue VAL   66 is missing expected H atoms. Skipping.
Residue SER   67 is missing expected H atoms. Skipping.
Residue VAL   68 is missing expected H atoms. Skipping.
Residue LYS   69 is missing expected H atoms. Skipping.
Residue SER   70 is missing expected H atoms. Skipping.
Residue ILE   72 is missing expected H atoms. Skipping.
Residue THR   73 is missing expected H atoms. Skipping.
Residue ILE   74 is missing expected H atoms. Skipping.
Residue THR   78 is missing expected H atoms. Skipping.
Residue SER   79 is missing expected H atoms. Skipping.
Residue LYS   80 is missing expected H atoms. Skipping.
Residue SER   84 is missing expected H atoms. Skipping.
Residue LEU   85 is missing expected H atoms. Skipping.
Residue LEU   87 is missing expected H atoms. Skipping.
Residue SER   89 is missing expected H atoms. Skipping.
Residue VAL   90 is missing expected H atoms. Skipping.
Residue THR   91 is missing expected H atoms. Skipping.
Residue THR   95 is missing expected H atoms. Skipping.
Residue ALA   96 is missing expected H atoms. Skipping.
Residue VAL   97 is missing expected H atoms. Skipping.
Residue TYR   98 is missing expected H atoms. Skipping.
Residue TYR   99 is missing expected H atoms. Skipping.
Residue ALA  101 is missing expected H atoms. Skipping.
Residue ALA  103 is missing expected H atoms. Skipping.
Residue VAL  104 is missing expected H atoms. Skipping.
Residue ALA  105 is missing expected H atoms. Skipping.
Residue ALA  106 is missing expected H atoms. Skipping.
Residue SER  107 is missing expected H atoms. Skipping.
Residue TYR  110 is missing expected H atoms. Skipping.
Residue THR  115 is missing expected H atoms. Skipping.
Residue LEU  116 is missing expected H atoms. Skipping.
Residue VAL  117 is missing expected H atoms. Skipping.
Residue THR  118 is missing expected H atoms. Skipping.
Residue VAL  119 is missing expected H atoms. Skipping.
Residue SER  120 is missing expected H atoms. Skipping.
Residue SER  121 is missing expected H atoms. Skipping.
Residue ALA  122 is missing expected H atoms. Skipping.
Residue SER  123 is missing expected H atoms. Skipping.
Residue THR  124 is missing expected H atoms. Skipping.
Residue LYS  125 is missing expected H atoms. Skipping.
Residue SER  128 is missing expected H atoms. Skipping.
Residue VAL  129 is missing expected H atoms. Skipping.
Residue LEU  132 is missing expected H atoms. Skipping.
Residue ALA  133 is missing expected H atoms. Skipping.
Residue SER  135 is missing expected H atoms. Skipping.
Residue SER  136 is missing expected H atoms. Skipping.
Residue LYS  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue THR  139 is missing expected H atoms. Skipping.
Residue SER  140 is missing expected H atoms. Skipping.
Residue THR  143 is missing expected H atoms. Skipping.
Residue ALA  144 is missing expected H atoms. Skipping.
Residue ALA  145 is missing expected H atoms. Skipping.
Residue LEU  146 is missing expected H atoms. Skipping.
Residue LEU  149 is missing expected H atoms. Skipping.
Residue VAL  150 is missing expected H atoms. Skipping.
Residue LYS  151 is missing expected H atoms. Skipping.
Residue TYR  153 is missing expected H atoms. Skipping.
Residue VAL  158 is missing expected H atoms. Skipping.
Residue THR  159 is missing expected H atoms. Skipping.
Residue VAL  160 is missing expected H atoms. Skipping.
Residue SER  161 is missing expected H atoms. Skipping.
Residue SER  164 is missing expected H atoms. Skipping.
Residue ALA  166 is missing expected H atoms. Skipping.
Residue LEU  167 is missing expected H atoms. Skipping.
Residue THR  168 is missing expected H atoms. Skipping.
Residue SER  169 is missing expected H atoms. Skipping.
Residue VAL  171 is missing expected H atoms. Skipping.
Residue THR  173 is missing expected H atoms. Skipping.
Residue ALA  176 is missing expected H atoms. Skipping.
Residue VAL  177 is missing expected H atoms. Skipping.
Residue LEU  178 is missing expected H atoms. Skipping.
Residue SER  180 is missing expected H atoms. Skipping.
Residue SER  181 is missing expected H atoms. Skipping.
Residue LEU  183 is missing expected H atoms. Skipping.
Residue TYR  184 is missing expected H atoms. Skipping.
Residue SER  185 is missing expected H atoms. Skipping.
Residue LEU  186 is missing expected H atoms. Skipping.
Residue SER  187 is missing expected H atoms. Skipping.
Residue SER  188 is missing expected H atoms. Skipping.
Residue VAL  189 is missing expected H atoms. Skipping.
Residue VAL  190 is missing expected H atoms. Skipping.
Residue THR  191 is missing expected H atoms. Skipping.
Residue VAL  192 is missing expected H atoms. Skipping.
Residue SER  194 is missing expected H atoms. Skipping.
Residue SER  195 is missing expected H atoms. Skipping.
Residue SER  196 is missing expected H atoms. Skipping.
Residue LEU  197 is missing expected H atoms. Skipping.
Residue THR  199 is missing expected H atoms. Skipping.
Residue THR  201 is missing expected H atoms. Skipping.
Residue TYR  202 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue VAL  206 is missing expected H atoms. Skipping.
Residue LYS  209 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue THR  213 is missing expected H atoms. Skipping.
Residue LYS  214 is missing expected H atoms. Skipping.
Residue VAL  215 is missing expected H atoms. Skipping.
Residue LYS  217 is missing expected H atoms. Skipping.
Residue LYS  218 is missing expected H atoms. Skipping.
Residue VAL  219 is missing expected H atoms. Skipping.
Residue LYS  222 is missing expected H atoms. Skipping.
Residue SER  223 is missing expected H atoms. Skipping.
Evaluate side-chains
  13 residues out of total 858 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 0
    poor density    : 13
  time to evaluate  : 0.207 
Fit side-chains
  outliers start: 0
  outliers final: 0
  residues processed: 13
  average time/residue: 0.0288
  time to fit residues: 0.9671
Evaluate side-chains
  13 residues out of total 858 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 0
    poor density    : 13
  time to evaluate  : 0.198 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Rotamers are restrained with sigma=1.50
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 98
   random chunks:
   chunk 65 optimal weight:   10.0000
   chunk 44 optimal weight:    9.9990
   chunk 85 optimal weight:   10.0000
   chunk 89 optimal weight:   30.0000
   chunk 51 optimal weight:   40.0000
   chunk 32 optimal weight:   50.0000
   chunk 94 optimal weight:    9.9990
   chunk 18 optimal weight:    0.6980
   chunk 90 optimal weight:    8.9990
   chunk 17 optimal weight:   10.0000
   chunk 31 optimal weight:    8.9990
   overall best weight:    7.7388

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

No N/Q/H corrections needed this macrocycle
-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.3814 r_free = 0.3814 target = 0.081916 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 40)----------------|
| r_work = 0.3627 r_free = 0.3627 target = 0.065165 restraints weight = 109598.077|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 31)----------------|
| r_work = 0.3491 r_free = 0.3491 target = 0.062964 restraints weight = 86065.258|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 29)----------------|
| r_work = 0.3484 r_free = 0.3484 target = 0.062245 restraints weight = 93018.329|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 4; iterations = 27)----------------|
| r_work = 0.3490 r_free = 0.3490 target = 0.062220 restraints weight = 85766.923|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 5; iterations = 25)----------------|
| r_work = 0.3493 r_free = 0.3493 target = 0.062281 restraints weight = 74042.238|
|-----------------------------------------------------------------------------|
r_work (final): 0.3166
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.6218
moved from start:          2.0333

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.004   0.022   3968  Z= 0.276
  Angle     :  0.740   7.078   4956  Z= 0.470
  Chirality :  0.000   0.000      0
  Planarity :  0.005   0.027    992
  Dihedral  :  7.457  37.870    992
  Min Nonbonded Distance : 2.318

Molprobity Statistics.
  All-atom Clashscore : 17.12
  Ramachandran Plot:
    Outliers :  0.30 %
    Allowed  : 23.07 %
    Favored  : 76.63 %
  Rotamer:
    Outliers :  0.00 %
    Allowed  :  0.00 %
    Favored  :  0.00 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 2.27 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.21 %

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 are not related in a simple way.
  whole: -3.66 (0.26), residues: 984
  helix: -0.83 (0.26), residues: 410
  sheet: -2.23 (0.53), residues: 91
  loop : -4.10 (0.26), residues: 483


Details of bonding type rmsd/Z
  covalent geometry    : bond        0.00362 /  0.28 ( 3968)
  covalent geometry    : angle       0.74044 /  0.47 ( 4956)
  hydrogen bonds       : bond        0.06405 /  5.02 (  429)
  hydrogen bonds       : angle       9.12475 /  7.59 ( 1269)

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

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

  1968 Ramachandran restraints generated.
    984 Oldfield, 0 Emsley, 984 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  1968 Ramachandran restraints generated.
    984 Oldfield, 0 Emsley, 984 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Residue SER   23 is missing expected H atoms. Skipping.
Residue SER   25 is missing expected H atoms. Skipping.
Residue ALA   26 is missing expected H atoms. Skipping.
Residue LEU   29 is missing expected H atoms. Skipping.
Residue LYS   30 is missing expected H atoms. Skipping.
Residue LEU   36 is missing expected H atoms. Skipping.
Residue VAL   38 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue TYR   42 is missing expected H atoms. Skipping.
Residue ALA   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 TYR   49 is missing expected H atoms. Skipping.
Residue ALA   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   54 is missing expected H atoms. Skipping.
Residue LEU   58 is missing expected H atoms. Skipping.
Residue VAL   59 is missing expected H atoms. Skipping.
Residue ALA   60 is missing expected H atoms. Skipping.
Residue VAL   61 is missing expected H atoms. Skipping.
Residue TYR   62 is missing expected H atoms. Skipping.
Residue TYR   63 is missing expected H atoms. Skipping.
Residue THR   64 is missing expected H atoms. Skipping.
Residue ALA   67 is missing expected H atoms. Skipping.
Residue LEU   68 is missing expected H atoms. Skipping.
Residue TYR   70 is missing expected H atoms. Skipping.
Residue LEU   71 is missing expected H atoms. Skipping.
Residue LYS   72 is missing expected H atoms. Skipping.
Residue MET   73 is missing expected H atoms. Skipping.
Residue ALA   79 is missing expected H atoms. Skipping.
Residue LEU   80 is missing expected H atoms. Skipping.
Residue ALA   81 is missing expected H atoms. Skipping.
Residue ALA   86 is missing expected H atoms. Skipping.
Residue LEU   87 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue SER   93 is missing expected H atoms. Skipping.
Residue VAL   94 is missing expected H atoms. Skipping.
Residue LYS   95 is missing expected H atoms. Skipping.
Residue ALA   96 is missing expected H atoms. Skipping.
Residue LEU  100 is missing expected H atoms. Skipping.
Residue LEU  105 is missing expected H atoms. Skipping.
Residue MET  107 is missing expected H atoms. Skipping.
Residue SER  109 is missing expected H atoms. Skipping.
Residue TYR  110 is missing expected H atoms. Skipping.
Residue ALA  113 is missing expected H atoms. Skipping.
Residue ILE  114 is missing expected H atoms. Skipping.
Residue ALA  115 is missing expected H atoms. Skipping.
Residue LEU  117 is missing expected H atoms. Skipping.
Residue ALA  120 is missing expected H atoms. Skipping.
Residue TYR  121 is missing expected H atoms. Skipping.
Residue SER  122 is missing expected H atoms. Skipping.
Residue LEU  123 is missing expected H atoms. Skipping.
Residue ALA  124 is missing expected H atoms. Skipping.
Residue LYS  125 is missing expected H atoms. Skipping.
Residue LEU  129 is missing expected H atoms. Skipping.
Residue ILE  135 is missing expected H atoms. Skipping.
Residue SER  137 is missing expected H atoms. Skipping.
Residue ALA  138 is missing expected H atoms. Skipping.
Residue LEU  139 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue ALA  142 is missing expected H atoms. Skipping.
Residue LYS  143 is missing expected H atoms. Skipping.
Residue LYS  144 is missing expected H atoms. Skipping.
Residue LYS  145 is missing expected H atoms. Skipping.
Residue SER  149 is missing expected H atoms. Skipping.
Residue ILE  150 is missing expected H atoms. Skipping.
Residue ILE  155 is missing expected H atoms. Skipping.
Residue SER  159 is missing expected H atoms. Skipping.
Residue LEU  161 is missing expected H atoms. Skipping.
Residue SER  163 is missing expected H atoms. Skipping.
Residue TYR  164 is missing expected H atoms. Skipping.
Residue LEU  165 is missing expected H atoms. Skipping.
Residue SER  166 is missing expected H atoms. Skipping.
Residue LEU  168 is missing expected H atoms. Skipping.
Residue ILE  169 is missing expected H atoms. Skipping.
Residue ALA  170 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue LEU  177 is missing expected H atoms. Skipping.
Residue SER  191 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue ALA  195 is missing expected H atoms. Skipping.
Residue ALA  198 is missing expected H atoms. Skipping.
Residue ILE  200 is missing expected H atoms. Skipping.
Residue ALA  202 is missing expected H atoms. Skipping.
Residue LYS  203 is missing expected H atoms. Skipping.
Residue LYS  206 is missing expected H atoms. Skipping.
Residue TYR  207 is missing expected H atoms. Skipping.
Residue MET  208 is missing expected H atoms. Skipping.
Residue ALA  209 is missing expected H atoms. Skipping.
Residue MET  211 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue SER  216 is missing expected H atoms. Skipping.
Residue VAL  218 is missing expected H atoms. Skipping.
Residue LYS  221 is missing expected H atoms. Skipping.
Residue LYS  223 is missing expected H atoms. Skipping.
Residue LYS  224 is missing expected H atoms. Skipping.
Residue ILE  227 is missing expected H atoms. Skipping.
Residue TYR  230 is missing expected H atoms. Skipping.
Residue LEU  231 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue ILE  235 is missing expected H atoms. Skipping.
Residue SER  236 is missing expected H atoms. Skipping.
Residue LEU  239 is missing expected H atoms. Skipping.
Residue MET  240 is missing expected H atoms. Skipping.
Residue ILE  245 is missing expected H atoms. Skipping.
Residue THR  246 is missing expected H atoms. Skipping.
Residue SER  248 is missing expected H atoms. Skipping.
Residue ILE  250 is missing expected H atoms. Skipping.
Residue THR  251 is missing expected H atoms. Skipping.
Residue TYR  252 is missing expected H atoms. Skipping.
Residue LYS  255 is missing expected H atoms. Skipping.
Residue ILE  257 is missing expected H atoms. Skipping.
Residue LEU  261 is missing expected H atoms. Skipping.
Residue VAL  264 is missing expected H atoms. Skipping.
Residue VAL  270 is missing expected H atoms. Skipping.
Residue THR  271 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue LEU  275 is missing expected H atoms. Skipping.
Residue THR  276 is missing expected H atoms. Skipping.
Residue LEU  280 is missing expected H atoms. Skipping.
Residue ILE  281 is missing expected H atoms. Skipping.
Residue LEU  284 is missing expected H atoms. Skipping.
Residue ALA  285 is missing expected H atoms. Skipping.
Residue MET  286 is missing expected H atoms. Skipping.
Residue LYS  287 is missing expected H atoms. Skipping.
Residue VAL  289 is missing expected H atoms. Skipping.
Residue ILE  290 is missing expected H atoms. Skipping.
Residue ALA  292 is missing expected H atoms. Skipping.
Residue ILE  294 is missing expected H atoms. Skipping.
Residue SER  295 is missing expected H atoms. Skipping.
Residue VAL  300 is missing expected H atoms. Skipping.
Residue SER   23 is missing expected H atoms. Skipping.
Residue SER   25 is missing expected H atoms. Skipping.
Residue ALA   26 is missing expected H atoms. Skipping.
Residue LEU   29 is missing expected H atoms. Skipping.
Residue LYS   30 is missing expected H atoms. Skipping.
Residue LEU   36 is missing expected H atoms. Skipping.
Residue VAL   38 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue TYR   42 is missing expected H atoms. Skipping.
Residue ALA   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 TYR   49 is missing expected H atoms. Skipping.
Residue ALA   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   54 is missing expected H atoms. Skipping.
Residue LEU   58 is missing expected H atoms. Skipping.
Residue VAL   59 is missing expected H atoms. Skipping.
Residue ALA   60 is missing expected H atoms. Skipping.
Residue VAL   61 is missing expected H atoms. Skipping.
Residue TYR   62 is missing expected H atoms. Skipping.
Residue TYR   63 is missing expected H atoms. Skipping.
Residue THR   64 is missing expected H atoms. Skipping.
Residue ALA   67 is missing expected H atoms. Skipping.
Residue LEU   68 is missing expected H atoms. Skipping.
Residue TYR   70 is missing expected H atoms. Skipping.
Residue LEU   71 is missing expected H atoms. Skipping.
Residue LYS   72 is missing expected H atoms. Skipping.
Residue MET   73 is missing expected H atoms. Skipping.
Residue ALA   79 is missing expected H atoms. Skipping.
Residue LEU   80 is missing expected H atoms. Skipping.
Residue ALA   81 is missing expected H atoms. Skipping.
Residue ALA   86 is missing expected H atoms. Skipping.
Residue LEU   87 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue SER   93 is missing expected H atoms. Skipping.
Residue VAL   94 is missing expected H atoms. Skipping.
Residue LYS   95 is missing expected H atoms. Skipping.
Residue ALA   96 is missing expected H atoms. Skipping.
Residue LEU  100 is missing expected H atoms. Skipping.
Residue LEU  105 is missing expected H atoms. Skipping.
Residue MET  107 is missing expected H atoms. Skipping.
Residue SER  109 is missing expected H atoms. Skipping.
Residue TYR  110 is missing expected H atoms. Skipping.
Residue ALA  113 is missing expected H atoms. Skipping.
Residue ILE  114 is missing expected H atoms. Skipping.
Residue ALA  115 is missing expected H atoms. Skipping.
Residue LEU  117 is missing expected H atoms. Skipping.
Residue ALA  120 is missing expected H atoms. Skipping.
Residue TYR  121 is missing expected H atoms. Skipping.
Residue SER  122 is missing expected H atoms. Skipping.
Residue LEU  123 is missing expected H atoms. Skipping.
Residue ALA  124 is missing expected H atoms. Skipping.
Residue LYS  125 is missing expected H atoms. Skipping.
Residue LEU  129 is missing expected H atoms. Skipping.
Residue ILE  135 is missing expected H atoms. Skipping.
Residue SER  137 is missing expected H atoms. Skipping.
Residue ALA  138 is missing expected H atoms. Skipping.
Residue LEU  139 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue ALA  142 is missing expected H atoms. Skipping.
Residue LYS  143 is missing expected H atoms. Skipping.
Residue LYS  144 is missing expected H atoms. Skipping.
Residue LYS  145 is missing expected H atoms. Skipping.
Residue SER  149 is missing expected H atoms. Skipping.
Residue ILE  150 is missing expected H atoms. Skipping.
Residue ILE  155 is missing expected H atoms. Skipping.
Residue SER  159 is missing expected H atoms. Skipping.
Residue LEU  161 is missing expected H atoms. Skipping.
Residue SER  163 is missing expected H atoms. Skipping.
Residue TYR  164 is missing expected H atoms. Skipping.
Residue LEU  165 is missing expected H atoms. Skipping.
Residue SER  166 is missing expected H atoms. Skipping.
Residue LEU  168 is missing expected H atoms. Skipping.
Residue ILE  169 is missing expected H atoms. Skipping.
Residue ALA  170 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue LEU  177 is missing expected H atoms. Skipping.
Residue SER  191 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue ALA  195 is missing expected H atoms. Skipping.
Residue ALA  198 is missing expected H atoms. Skipping.
Residue ILE  200 is missing expected H atoms. Skipping.
Residue ALA  202 is missing expected H atoms. Skipping.
Residue LYS  203 is missing expected H atoms. Skipping.
Residue LYS  206 is missing expected H atoms. Skipping.
Residue TYR  207 is missing expected H atoms. Skipping.
Residue MET  208 is missing expected H atoms. Skipping.
Residue ALA  209 is missing expected H atoms. Skipping.
Residue MET  211 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue SER  216 is missing expected H atoms. Skipping.
Residue VAL  218 is missing expected H atoms. Skipping.
Residue LYS  221 is missing expected H atoms. Skipping.
Residue LYS  223 is missing expected H atoms. Skipping.
Residue LYS  224 is missing expected H atoms. Skipping.
Residue ILE  227 is missing expected H atoms. Skipping.
Residue TYR  230 is missing expected H atoms. Skipping.
Residue LEU  231 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue ILE  235 is missing expected H atoms. Skipping.
Residue SER  236 is missing expected H atoms. Skipping.
Residue LEU  239 is missing expected H atoms. Skipping.
Residue MET  240 is missing expected H atoms. Skipping.
Residue ILE  245 is missing expected H atoms. Skipping.
Residue THR  246 is missing expected H atoms. Skipping.
Residue SER  248 is missing expected H atoms. Skipping.
Residue ILE  250 is missing expected H atoms. Skipping.
Residue THR  251 is missing expected H atoms. Skipping.
Residue TYR  252 is missing expected H atoms. Skipping.
Residue LYS  255 is missing expected H atoms. Skipping.
Residue ILE  257 is missing expected H atoms. Skipping.
Residue LEU  261 is missing expected H atoms. Skipping.
Residue VAL  264 is missing expected H atoms. Skipping.
Residue VAL  270 is missing expected H atoms. Skipping.
Residue THR  271 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue LEU  275 is missing expected H atoms. Skipping.
Residue THR  276 is missing expected H atoms. Skipping.
Residue LEU  280 is missing expected H atoms. Skipping.
Residue ILE  281 is missing expected H atoms. Skipping.
Residue LEU  284 is missing expected H atoms. Skipping.
Residue ALA  285 is missing expected H atoms. Skipping.
Residue MET  286 is missing expected H atoms. Skipping.
Residue LYS  287 is missing expected H atoms. Skipping.
Residue VAL  289 is missing expected H atoms. Skipping.
Residue ILE  290 is missing expected H atoms. Skipping.
Residue ALA  292 is missing expected H atoms. Skipping.
Residue ILE  294 is missing expected H atoms. Skipping.
Residue SER  295 is missing expected H atoms. Skipping.
Residue VAL  300 is missing expected H atoms. Skipping.
Residue LEU   30 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 LEU   34 is missing expected H atoms. Skipping.
Residue THR   35 is missing expected H atoms. Skipping.
Residue SER   37 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 SER   42 is missing expected H atoms. Skipping.
Residue LEU   43 is missing expected H atoms. Skipping.
Residue SER   44 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue THR   50 is missing expected H atoms. Skipping.
Residue LEU   51 is missing expected H atoms. Skipping.
Residue SER   52 is missing expected H atoms. Skipping.
Residue ALA   55 is missing expected H atoms. Skipping.
Residue SER   56 is missing expected H atoms. Skipping.
Residue SER   58 is missing expected H atoms. Skipping.
Residue VAL   59 is missing expected H atoms. Skipping.
Residue SER   60 is missing expected H atoms. Skipping.
Residue SER   61 is missing expected H atoms. Skipping.
Residue THR   62 is missing expected H atoms. Skipping.
Residue LEU   64 is missing expected H atoms. Skipping.
Residue ALA   65 is missing expected H atoms. Skipping.
Residue TYR   67 is missing expected H atoms. Skipping.
Residue LYS   70 is missing expected H atoms. Skipping.
Residue ALA   74 is missing expected H atoms. Skipping.
Residue LEU   77 is missing expected H atoms. Skipping.
Residue LEU   78 is missing expected H atoms. Skipping.
Residue ILE   79 is missing expected H atoms. Skipping.
Residue TYR   80 is missing expected H atoms. Skipping.
Residue ALA   82 is missing expected H atoms. Skipping.
Residue SER   83 is missing expected H atoms. Skipping.
Residue ALA   86 is missing expected H atoms. Skipping.
Residue THR   87 is missing expected H atoms. Skipping.
Residue ILE   89 is missing expected H atoms. Skipping.
Residue SER   94 is missing expected H atoms. Skipping.
Residue SER   96 is missing expected H atoms. Skipping.
Residue SER   98 is missing expected H atoms. Skipping.
Residue THR  100 is missing expected H atoms. Skipping.
Residue THR  103 is missing expected H atoms. Skipping.
Residue LEU  104 is missing expected H atoms. Skipping.
Residue THR  105 is missing expected H atoms. Skipping.
Residue ILE  106 is missing expected H atoms. Skipping.
Residue SER  107 is missing expected H atoms. Skipping.
Residue LEU  109 is missing expected H atoms. Skipping.
Residue ALA  115 is missing expected H atoms. Skipping.
Residue VAL  116 is missing expected H atoms. Skipping.
Residue TYR  117 is missing expected H atoms. Skipping.
Residue TYR  118 is missing expected H atoms. Skipping.
Residue TYR  122 is missing expected H atoms. Skipping.
Residue ALA  124 is missing expected H atoms. Skipping.
Residue THR  125 is missing expected H atoms. Skipping.
Residue TYR  126 is missing expected H atoms. Skipping.
Residue THR  127 is missing expected H atoms. Skipping.
Residue THR  132 is missing expected H atoms. Skipping.
Residue LYS  133 is missing expected H atoms. Skipping.
Residue LEU  134 is missing expected H atoms. Skipping.
Residue ILE  136 is missing expected H atoms. Skipping.
Residue LYS  137 is missing expected H atoms. Skipping.
Residue THR  139 is missing expected H atoms. Skipping.
Residue VAL  140 is missing expected H atoms. Skipping.
Residue ALA  141 is missing expected H atoms. Skipping.
Residue ALA  142 is missing expected H atoms. Skipping.
Residue SER  144 is missing expected H atoms. Skipping.
Residue VAL  145 is missing expected H atoms. Skipping.
Residue ILE  147 is missing expected H atoms. Skipping.
Residue SER  151 is missing expected H atoms. Skipping.
Residue LEU  155 is missing expected H atoms. Skipping.
Residue LYS  156 is missing expected H atoms. Skipping.
Residue SER  157 is missing expected H atoms. Skipping.
Residue THR  159 is missing expected H atoms. Skipping.
Residue ALA  160 is missing expected H atoms. Skipping.
Residue SER  161 is missing expected H atoms. Skipping.
Residue VAL  162 is missing expected H atoms. Skipping.
Residue VAL  163 is missing expected H atoms. Skipping.
Residue LEU  165 is missing expected H atoms. Skipping.
Residue LEU  166 is missing expected H atoms. Skipping.
Residue TYR  170 is missing expected H atoms. Skipping.
Residue ALA  174 is missing expected H atoms. Skipping.
Residue LYS  175 is missing expected H atoms. Skipping.
Residue VAL  176 is missing expected H atoms. Skipping.
Residue LYS  179 is missing expected H atoms. Skipping.
Residue VAL  180 is missing expected H atoms. Skipping.
Residue ALA  183 is missing expected H atoms. Skipping.
Residue LEU  184 is missing expected H atoms. Skipping.
Residue SER  186 is missing expected H atoms. Skipping.
Residue SER  189 is missing expected H atoms. Skipping.
Residue SER  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue THR  194 is missing expected H atoms. Skipping.
Residue SER  198 is missing expected H atoms. Skipping.
Residue LYS  199 is missing expected H atoms. Skipping.
Residue SER  201 is missing expected H atoms. Skipping.
Residue THR  202 is missing expected H atoms. Skipping.
Residue TYR  203 is missing expected H atoms. Skipping.
Residue SER  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue SER  206 is missing expected H atoms. Skipping.
Residue SER  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  209 is missing expected H atoms. Skipping.
Residue THR  210 is missing expected H atoms. Skipping.
Residue LEU  211 is missing expected H atoms. Skipping.
Residue SER  212 is missing expected H atoms. Skipping.
Residue LYS  213 is missing expected H atoms. Skipping.
Residue ALA  214 is missing expected H atoms. Skipping.
Residue TYR  216 is missing expected H atoms. Skipping.
Residue LYS  218 is missing expected H atoms. Skipping.
Residue LYS  220 is missing expected H atoms. Skipping.
Residue VAL  221 is missing expected H atoms. Skipping.
Residue TYR  222 is missing expected H atoms. Skipping.
Residue ALA  223 is missing expected H atoms. Skipping.
Residue VAL  226 is missing expected H atoms. Skipping.
Residue THR  227 is missing expected H atoms. Skipping.
Residue LEU  231 is missing expected H atoms. Skipping.
Residue SER  232 is missing expected H atoms. Skipping.
Residue SER  233 is missing expected H atoms. Skipping.
Residue VAL  235 is missing expected H atoms. Skipping.
Residue THR  236 is missing expected H atoms. Skipping.
Residue LYS  237 is missing expected H atoms. Skipping.
Residue SER  238 is missing expected H atoms. Skipping.
Residue LEU   12 is missing expected H atoms. Skipping.
Residue MET   13 is missing expected H atoms. Skipping.
Residue LYS   14 is missing expected H atoms. Skipping.
Residue THR   18 is missing expected H atoms. Skipping.
Residue LEU   19 is missing expected H atoms. Skipping.
Residue SER   20 is missing expected H atoms. Skipping.
Residue LEU   21 is missing expected H atoms. Skipping.
Residue THR   22 is missing expected H atoms. Skipping.
Residue ALA   24 is missing expected H atoms. Skipping.
Residue ILE   25 is missing expected H atoms. Skipping.
Residue SER   26 is missing expected H atoms. Skipping.
Residue SER   29 is missing expected H atoms. Skipping.
Residue VAL   30 is missing expected H atoms. Skipping.
Residue SER   31 is missing expected H atoms. Skipping.
Residue SER   32 is missing expected H atoms. Skipping.
Residue SER   34 is missing expected H atoms. Skipping.
Residue ALA   35 is missing expected H atoms. Skipping.
Residue ALA   36 is missing expected H atoms. Skipping.
Residue ILE   40 is missing expected H atoms. Skipping.
Residue SER   43 is missing expected H atoms. Skipping.
Residue SER   45 is missing expected H atoms. Skipping.
Residue LEU   48 is missing expected H atoms. Skipping.
Residue LEU   51 is missing expected H atoms. Skipping.
Residue THR   54 is missing expected H atoms. Skipping.
Residue TYR   55 is missing expected H atoms. Skipping.
Residue TYR   56 is missing expected H atoms. Skipping.
Residue SER   58 is missing expected H atoms. Skipping.
Residue LYS   59 is missing expected H atoms. Skipping.
Residue TYR   61 is missing expected H atoms. Skipping.
Residue TYR   64 is missing expected H atoms. Skipping.
Residue ALA   65 is missing expected H atoms. Skipping.
Residue VAL   66 is missing expected H atoms. Skipping.
Residue SER   67 is missing expected H atoms. Skipping.
Residue VAL   68 is missing expected H atoms. Skipping.
Residue LYS   69 is missing expected H atoms. Skipping.
Residue SER   70 is missing expected H atoms. Skipping.
Residue ILE   72 is missing expected H atoms. Skipping.
Residue THR   73 is missing expected H atoms. Skipping.
Residue ILE   74 is missing expected H atoms. Skipping.
Residue THR   78 is missing expected H atoms. Skipping.
Residue SER   79 is missing expected H atoms. Skipping.
Residue LYS   80 is missing expected H atoms. Skipping.
Residue SER   84 is missing expected H atoms. Skipping.
Residue LEU   85 is missing expected H atoms. Skipping.
Residue LEU   87 is missing expected H atoms. Skipping.
Residue SER   89 is missing expected H atoms. Skipping.
Residue VAL   90 is missing expected H atoms. Skipping.
Residue THR   91 is missing expected H atoms. Skipping.
Residue THR   95 is missing expected H atoms. Skipping.
Residue ALA   96 is missing expected H atoms. Skipping.
Residue VAL   97 is missing expected H atoms. Skipping.
Residue TYR   98 is missing expected H atoms. Skipping.
Residue TYR   99 is missing expected H atoms. Skipping.
Residue ALA  101 is missing expected H atoms. Skipping.
Residue ALA  103 is missing expected H atoms. Skipping.
Residue VAL  104 is missing expected H atoms. Skipping.
Residue ALA  105 is missing expected H atoms. Skipping.
Residue ALA  106 is missing expected H atoms. Skipping.
Residue SER  107 is missing expected H atoms. Skipping.
Residue TYR  110 is missing expected H atoms. Skipping.
Residue THR  115 is missing expected H atoms. Skipping.
Residue LEU  116 is missing expected H atoms. Skipping.
Residue VAL  117 is missing expected H atoms. Skipping.
Residue THR  118 is missing expected H atoms. Skipping.
Residue VAL  119 is missing expected H atoms. Skipping.
Residue SER  120 is missing expected H atoms. Skipping.
Residue SER  121 is missing expected H atoms. Skipping.
Residue ALA  122 is missing expected H atoms. Skipping.
Residue SER  123 is missing expected H atoms. Skipping.
Residue THR  124 is missing expected H atoms. Skipping.
Residue LYS  125 is missing expected H atoms. Skipping.
Residue SER  128 is missing expected H atoms. Skipping.
Residue VAL  129 is missing expected H atoms. Skipping.
Residue LEU  132 is missing expected H atoms. Skipping.
Residue ALA  133 is missing expected H atoms. Skipping.
Residue SER  135 is missing expected H atoms. Skipping.
Residue SER  136 is missing expected H atoms. Skipping.
Residue LYS  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue THR  139 is missing expected H atoms. Skipping.
Residue SER  140 is missing expected H atoms. Skipping.
Residue THR  143 is missing expected H atoms. Skipping.
Residue ALA  144 is missing expected H atoms. Skipping.
Residue ALA  145 is missing expected H atoms. Skipping.
Residue LEU  146 is missing expected H atoms. Skipping.
Residue LEU  149 is missing expected H atoms. Skipping.
Residue VAL  150 is missing expected H atoms. Skipping.
Residue LYS  151 is missing expected H atoms. Skipping.
Residue TYR  153 is missing expected H atoms. Skipping.
Residue VAL  158 is missing expected H atoms. Skipping.
Residue THR  159 is missing expected H atoms. Skipping.
Residue VAL  160 is missing expected H atoms. Skipping.
Residue SER  161 is missing expected H atoms. Skipping.
Residue SER  164 is missing expected H atoms. Skipping.
Residue ALA  166 is missing expected H atoms. Skipping.
Residue LEU  167 is missing expected H atoms. Skipping.
Residue THR  168 is missing expected H atoms. Skipping.
Residue SER  169 is missing expected H atoms. Skipping.
Residue VAL  171 is missing expected H atoms. Skipping.
Residue THR  173 is missing expected H atoms. Skipping.
Residue ALA  176 is missing expected H atoms. Skipping.
Residue VAL  177 is missing expected H atoms. Skipping.
Residue LEU  178 is missing expected H atoms. Skipping.
Residue SER  180 is missing expected H atoms. Skipping.
Residue SER  181 is missing expected H atoms. Skipping.
Residue LEU  183 is missing expected H atoms. Skipping.
Residue TYR  184 is missing expected H atoms. Skipping.
Residue SER  185 is missing expected H atoms. Skipping.
Residue LEU  186 is missing expected H atoms. Skipping.
Residue SER  187 is missing expected H atoms. Skipping.
Residue SER  188 is missing expected H atoms. Skipping.
Residue VAL  189 is missing expected H atoms. Skipping.
Residue VAL  190 is missing expected H atoms. Skipping.
Residue THR  191 is missing expected H atoms. Skipping.
Residue VAL  192 is missing expected H atoms. Skipping.
Residue SER  194 is missing expected H atoms. Skipping.
Residue SER  195 is missing expected H atoms. Skipping.
Residue SER  196 is missing expected H atoms. Skipping.
Residue LEU  197 is missing expected H atoms. Skipping.
Residue THR  199 is missing expected H atoms. Skipping.
Residue THR  201 is missing expected H atoms. Skipping.
Residue TYR  202 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue VAL  206 is missing expected H atoms. Skipping.
Residue LYS  209 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue THR  213 is missing expected H atoms. Skipping.
Residue LYS  214 is missing expected H atoms. Skipping.
Residue VAL  215 is missing expected H atoms. Skipping.
Residue LYS  217 is missing expected H atoms. Skipping.
Residue LYS  218 is missing expected H atoms. Skipping.
Residue VAL  219 is missing expected H atoms. Skipping.
Residue LYS  222 is missing expected H atoms. Skipping.
Residue SER  223 is missing expected H atoms. Skipping.
Evaluate side-chains
  13 residues out of total 858 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 0
    poor density    : 13
  time to evaluate  : 0.245 
Fit side-chains
  outliers start: 0
  outliers final: 0
  residues processed: 13
  average time/residue: 0.0262
  time to fit residues: 0.9625
Evaluate side-chains
  13 residues out of total 858 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 0
    poor density    : 13
  time to evaluate  : 0.179 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Rotamers are restrained with sigma=1.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 98
   random chunks:
   chunk 6 optimal weight:   50.0000
   chunk 11 optimal weight:   40.0000
   chunk 80 optimal weight:   10.0000
   chunk 93 optimal weight:   40.0000
   chunk 89 optimal weight:    0.6980
   chunk 84 optimal weight:    8.9990
   chunk 32 optimal weight:   50.0000
   chunk 28 optimal weight:   50.0000
   chunk 52 optimal weight:   40.0000
   chunk 17 optimal weight:    8.9990
   chunk 49 optimal weight:   20.0000
   overall best weight:    9.7392

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

No N/Q/H corrections needed this macrocycle
-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.3791 r_free = 0.3791 target = 0.081440 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 47)----------------|
| r_work = 0.3603 r_free = 0.3603 target = 0.063069 restraints weight = 112125.420|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 29)----------------|
| r_work = 0.3447 r_free = 0.3447 target = 0.059757 restraints weight = 98056.376|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 27)----------------|
| r_work = 0.3451 r_free = 0.3451 target = 0.059848 restraints weight = 98936.767|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 4; iterations = 25)----------------|
| r_work = 0.3458 r_free = 0.3458 target = 0.060016 restraints weight = 84038.481|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 5; iterations = 25)----------------|
| r_work = 0.3463 r_free = 0.3463 target = 0.060025 restraints weight = 73965.985|
|-----------------------------------------------------------------------------|
r_work (final): 0.3125
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.6579
moved from start:          2.1977

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.005   0.024   3968  Z= 0.346
  Angle     :  0.902   8.785   4956  Z= 0.574
  Chirality :  0.000   0.000      0
  Planarity :  0.006   0.034    992
  Dihedral  :  8.498  40.798    992
  Min Nonbonded Distance : 2.244

Molprobity Statistics.
  All-atom Clashscore : 30.06
  Ramachandran Plot:
    Outliers :  0.41 %
    Allowed  : 24.39 %
    Favored  : 75.20 %
  Rotamer:
    Outliers :  0.00 %
    Allowed  :  0.00 %
    Favored  :  0.00 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 2.27 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.42 %

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 are not related in a simple way.
  whole: -4.22 (0.25), residues: 984
  helix: -1.33 (0.26), residues: 407
  sheet: -2.43 (0.53), residues: 93
  loop : -4.37 (0.24), residues: 484


Details of bonding type rmsd/Z
  covalent geometry    : bond        0.00456 /  0.35 ( 3968)
  covalent geometry    : angle       0.90229 /  0.57 ( 4956)
  hydrogen bonds       : bond        0.07535 /  5.91 (  429)
  hydrogen bonds       : angle      10.19033 /  8.49 ( 1269)

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

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

  1968 Ramachandran restraints generated.
    984 Oldfield, 0 Emsley, 984 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  1968 Ramachandran restraints generated.
    984 Oldfield, 0 Emsley, 984 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Residue SER   23 is missing expected H atoms. Skipping.
Residue SER   25 is missing expected H atoms. Skipping.
Residue ALA   26 is missing expected H atoms. Skipping.
Residue LEU   29 is missing expected H atoms. Skipping.
Residue LYS   30 is missing expected H atoms. Skipping.
Residue LEU   36 is missing expected H atoms. Skipping.
Residue VAL   38 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue TYR   42 is missing expected H atoms. Skipping.
Residue ALA   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 TYR   49 is missing expected H atoms. Skipping.
Residue ALA   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   54 is missing expected H atoms. Skipping.
Residue LEU   58 is missing expected H atoms. Skipping.
Residue VAL   59 is missing expected H atoms. Skipping.
Residue ALA   60 is missing expected H atoms. Skipping.
Residue VAL   61 is missing expected H atoms. Skipping.
Residue TYR   62 is missing expected H atoms. Skipping.
Residue TYR   63 is missing expected H atoms. Skipping.
Residue THR   64 is missing expected H atoms. Skipping.
Residue ALA   67 is missing expected H atoms. Skipping.
Residue LEU   68 is missing expected H atoms. Skipping.
Residue TYR   70 is missing expected H atoms. Skipping.
Residue LEU   71 is missing expected H atoms. Skipping.
Residue LYS   72 is missing expected H atoms. Skipping.
Residue MET   73 is missing expected H atoms. Skipping.
Residue ALA   79 is missing expected H atoms. Skipping.
Residue LEU   80 is missing expected H atoms. Skipping.
Residue ALA   81 is missing expected H atoms. Skipping.
Residue ALA   86 is missing expected H atoms. Skipping.
Residue LEU   87 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue SER   93 is missing expected H atoms. Skipping.
Residue VAL   94 is missing expected H atoms. Skipping.
Residue LYS   95 is missing expected H atoms. Skipping.
Residue ALA   96 is missing expected H atoms. Skipping.
Residue LEU  100 is missing expected H atoms. Skipping.
Residue LEU  105 is missing expected H atoms. Skipping.
Residue MET  107 is missing expected H atoms. Skipping.
Residue SER  109 is missing expected H atoms. Skipping.
Residue TYR  110 is missing expected H atoms. Skipping.
Residue ALA  113 is missing expected H atoms. Skipping.
Residue ILE  114 is missing expected H atoms. Skipping.
Residue ALA  115 is missing expected H atoms. Skipping.
Residue LEU  117 is missing expected H atoms. Skipping.
Residue ALA  120 is missing expected H atoms. Skipping.
Residue TYR  121 is missing expected H atoms. Skipping.
Residue SER  122 is missing expected H atoms. Skipping.
Residue LEU  123 is missing expected H atoms. Skipping.
Residue ALA  124 is missing expected H atoms. Skipping.
Residue LYS  125 is missing expected H atoms. Skipping.
Residue LEU  129 is missing expected H atoms. Skipping.
Residue ILE  135 is missing expected H atoms. Skipping.
Residue SER  137 is missing expected H atoms. Skipping.
Residue ALA  138 is missing expected H atoms. Skipping.
Residue LEU  139 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue ALA  142 is missing expected H atoms. Skipping.
Residue LYS  143 is missing expected H atoms. Skipping.
Residue LYS  144 is missing expected H atoms. Skipping.
Residue LYS  145 is missing expected H atoms. Skipping.
Residue SER  149 is missing expected H atoms. Skipping.
Residue ILE  150 is missing expected H atoms. Skipping.
Residue ILE  155 is missing expected H atoms. Skipping.
Residue SER  159 is missing expected H atoms. Skipping.
Residue LEU  161 is missing expected H atoms. Skipping.
Residue SER  163 is missing expected H atoms. Skipping.
Residue TYR  164 is missing expected H atoms. Skipping.
Residue LEU  165 is missing expected H atoms. Skipping.
Residue SER  166 is missing expected H atoms. Skipping.
Residue LEU  168 is missing expected H atoms. Skipping.
Residue ILE  169 is missing expected H atoms. Skipping.
Residue ALA  170 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue LEU  177 is missing expected H atoms. Skipping.
Residue SER  191 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue ALA  195 is missing expected H atoms. Skipping.
Residue ALA  198 is missing expected H atoms. Skipping.
Residue ILE  200 is missing expected H atoms. Skipping.
Residue ALA  202 is missing expected H atoms. Skipping.
Residue LYS  203 is missing expected H atoms. Skipping.
Residue LYS  206 is missing expected H atoms. Skipping.
Residue TYR  207 is missing expected H atoms. Skipping.
Residue MET  208 is missing expected H atoms. Skipping.
Residue ALA  209 is missing expected H atoms. Skipping.
Residue MET  211 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue SER  216 is missing expected H atoms. Skipping.
Residue VAL  218 is missing expected H atoms. Skipping.
Residue LYS  221 is missing expected H atoms. Skipping.
Residue LYS  223 is missing expected H atoms. Skipping.
Residue LYS  224 is missing expected H atoms. Skipping.
Residue ILE  227 is missing expected H atoms. Skipping.
Residue TYR  230 is missing expected H atoms. Skipping.
Residue LEU  231 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue ILE  235 is missing expected H atoms. Skipping.
Residue SER  236 is missing expected H atoms. Skipping.
Residue LEU  239 is missing expected H atoms. Skipping.
Residue MET  240 is missing expected H atoms. Skipping.
Residue ILE  245 is missing expected H atoms. Skipping.
Residue THR  246 is missing expected H atoms. Skipping.
Residue SER  248 is missing expected H atoms. Skipping.
Residue ILE  250 is missing expected H atoms. Skipping.
Residue THR  251 is missing expected H atoms. Skipping.
Residue TYR  252 is missing expected H atoms. Skipping.
Residue LYS  255 is missing expected H atoms. Skipping.
Residue ILE  257 is missing expected H atoms. Skipping.
Residue LEU  261 is missing expected H atoms. Skipping.
Residue VAL  264 is missing expected H atoms. Skipping.
Residue VAL  270 is missing expected H atoms. Skipping.
Residue THR  271 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue LEU  275 is missing expected H atoms. Skipping.
Residue THR  276 is missing expected H atoms. Skipping.
Residue LEU  280 is missing expected H atoms. Skipping.
Residue ILE  281 is missing expected H atoms. Skipping.
Residue LEU  284 is missing expected H atoms. Skipping.
Residue ALA  285 is missing expected H atoms. Skipping.
Residue MET  286 is missing expected H atoms. Skipping.
Residue LYS  287 is missing expected H atoms. Skipping.
Residue VAL  289 is missing expected H atoms. Skipping.
Residue ILE  290 is missing expected H atoms. Skipping.
Residue ALA  292 is missing expected H atoms. Skipping.
Residue ILE  294 is missing expected H atoms. Skipping.
Residue SER  295 is missing expected H atoms. Skipping.
Residue VAL  300 is missing expected H atoms. Skipping.
Residue SER   23 is missing expected H atoms. Skipping.
Residue SER   25 is missing expected H atoms. Skipping.
Residue ALA   26 is missing expected H atoms. Skipping.
Residue LEU   29 is missing expected H atoms. Skipping.
Residue LYS   30 is missing expected H atoms. Skipping.
Residue LEU   36 is missing expected H atoms. Skipping.
Residue VAL   38 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue TYR   42 is missing expected H atoms. Skipping.
Residue ALA   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 TYR   49 is missing expected H atoms. Skipping.
Residue ALA   52 is missing expected H atoms. Skipping.
Residue ILE   53 is missing expected H atoms. Skipping.
Residue THR   54 is missing expected H atoms. Skipping.
Residue LEU   58 is missing expected H atoms. Skipping.
Residue VAL   59 is missing expected H atoms. Skipping.
Residue ALA   60 is missing expected H atoms. Skipping.
Residue VAL   61 is missing expected H atoms. Skipping.
Residue TYR   62 is missing expected H atoms. Skipping.
Residue TYR   63 is missing expected H atoms. Skipping.
Residue THR   64 is missing expected H atoms. Skipping.
Residue ALA   67 is missing expected H atoms. Skipping.
Residue LEU   68 is missing expected H atoms. Skipping.
Residue TYR   70 is missing expected H atoms. Skipping.
Residue LEU   71 is missing expected H atoms. Skipping.
Residue LYS   72 is missing expected H atoms. Skipping.
Residue MET   73 is missing expected H atoms. Skipping.
Residue ALA   79 is missing expected H atoms. Skipping.
Residue LEU   80 is missing expected H atoms. Skipping.
Residue ALA   81 is missing expected H atoms. Skipping.
Residue ALA   86 is missing expected H atoms. Skipping.
Residue LEU   87 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue SER   93 is missing expected H atoms. Skipping.
Residue VAL   94 is missing expected H atoms. Skipping.
Residue LYS   95 is missing expected H atoms. Skipping.
Residue ALA   96 is missing expected H atoms. Skipping.
Residue LEU  100 is missing expected H atoms. Skipping.
Residue LEU  105 is missing expected H atoms. Skipping.
Residue MET  107 is missing expected H atoms. Skipping.
Residue SER  109 is missing expected H atoms. Skipping.
Residue TYR  110 is missing expected H atoms. Skipping.
Residue ALA  113 is missing expected H atoms. Skipping.
Residue ILE  114 is missing expected H atoms. Skipping.
Residue ALA  115 is missing expected H atoms. Skipping.
Residue LEU  117 is missing expected H atoms. Skipping.
Residue ALA  120 is missing expected H atoms. Skipping.
Residue TYR  121 is missing expected H atoms. Skipping.
Residue SER  122 is missing expected H atoms. Skipping.
Residue LEU  123 is missing expected H atoms. Skipping.
Residue ALA  124 is missing expected H atoms. Skipping.
Residue LYS  125 is missing expected H atoms. Skipping.
Residue LEU  129 is missing expected H atoms. Skipping.
Residue ILE  135 is missing expected H atoms. Skipping.
Residue SER  137 is missing expected H atoms. Skipping.
Residue ALA  138 is missing expected H atoms. Skipping.
Residue LEU  139 is missing expected H atoms. Skipping.
Residue ILE  141 is missing expected H atoms. Skipping.
Residue ALA  142 is missing expected H atoms. Skipping.
Residue LYS  143 is missing expected H atoms. Skipping.
Residue LYS  144 is missing expected H atoms. Skipping.
Residue LYS  145 is missing expected H atoms. Skipping.
Residue SER  149 is missing expected H atoms. Skipping.
Residue ILE  150 is missing expected H atoms. Skipping.
Residue ILE  155 is missing expected H atoms. Skipping.
Residue SER  159 is missing expected H atoms. Skipping.
Residue LEU  161 is missing expected H atoms. Skipping.
Residue SER  163 is missing expected H atoms. Skipping.
Residue TYR  164 is missing expected H atoms. Skipping.
Residue LEU  165 is missing expected H atoms. Skipping.
Residue SER  166 is missing expected H atoms. Skipping.
Residue LEU  168 is missing expected H atoms. Skipping.
Residue ILE  169 is missing expected H atoms. Skipping.
Residue ALA  170 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue LEU  177 is missing expected H atoms. Skipping.
Residue SER  191 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue ALA  195 is missing expected H atoms. Skipping.
Residue ALA  198 is missing expected H atoms. Skipping.
Residue ILE  200 is missing expected H atoms. Skipping.
Residue ALA  202 is missing expected H atoms. Skipping.
Residue LYS  203 is missing expected H atoms. Skipping.
Residue LYS  206 is missing expected H atoms. Skipping.
Residue TYR  207 is missing expected H atoms. Skipping.
Residue MET  208 is missing expected H atoms. Skipping.
Residue ALA  209 is missing expected H atoms. Skipping.
Residue MET  211 is missing expected H atoms. Skipping.
Residue LEU  214 is missing expected H atoms. Skipping.
Residue SER  216 is missing expected H atoms. Skipping.
Residue VAL  218 is missing expected H atoms. Skipping.
Residue LYS  221 is missing expected H atoms. Skipping.
Residue LYS  223 is missing expected H atoms. Skipping.
Residue LYS  224 is missing expected H atoms. Skipping.
Residue ILE  227 is missing expected H atoms. Skipping.
Residue TYR  230 is missing expected H atoms. Skipping.
Residue LEU  231 is missing expected H atoms. Skipping.
Residue LYS  234 is missing expected H atoms. Skipping.
Residue ILE  235 is missing expected H atoms. Skipping.
Residue SER  236 is missing expected H atoms. Skipping.
Residue LEU  239 is missing expected H atoms. Skipping.
Residue MET  240 is missing expected H atoms. Skipping.
Residue ILE  245 is missing expected H atoms. Skipping.
Residue THR  246 is missing expected H atoms. Skipping.
Residue SER  248 is missing expected H atoms. Skipping.
Residue ILE  250 is missing expected H atoms. Skipping.
Residue THR  251 is missing expected H atoms. Skipping.
Residue TYR  252 is missing expected H atoms. Skipping.
Residue LYS  255 is missing expected H atoms. Skipping.
Residue ILE  257 is missing expected H atoms. Skipping.
Residue LEU  261 is missing expected H atoms. Skipping.
Residue VAL  264 is missing expected H atoms. Skipping.
Residue VAL  270 is missing expected H atoms. Skipping.
Residue THR  271 is missing expected H atoms. Skipping.
Residue SER  273 is missing expected H atoms. Skipping.
Residue LEU  275 is missing expected H atoms. Skipping.
Residue THR  276 is missing expected H atoms. Skipping.
Residue LEU  280 is missing expected H atoms. Skipping.
Residue ILE  281 is missing expected H atoms. Skipping.
Residue LEU  284 is missing expected H atoms. Skipping.
Residue ALA  285 is missing expected H atoms. Skipping.
Residue MET  286 is missing expected H atoms. Skipping.
Residue LYS  287 is missing expected H atoms. Skipping.
Residue VAL  289 is missing expected H atoms. Skipping.
Residue ILE  290 is missing expected H atoms. Skipping.
Residue ALA  292 is missing expected H atoms. Skipping.
Residue ILE  294 is missing expected H atoms. Skipping.
Residue SER  295 is missing expected H atoms. Skipping.
Residue VAL  300 is missing expected H atoms. Skipping.
Residue LEU   30 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 LEU   34 is missing expected H atoms. Skipping.
Residue THR   35 is missing expected H atoms. Skipping.
Residue SER   37 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 SER   42 is missing expected H atoms. Skipping.
Residue LEU   43 is missing expected H atoms. Skipping.
Residue SER   44 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue THR   50 is missing expected H atoms. Skipping.
Residue LEU   51 is missing expected H atoms. Skipping.
Residue SER   52 is missing expected H atoms. Skipping.
Residue ALA   55 is missing expected H atoms. Skipping.
Residue SER   56 is missing expected H atoms. Skipping.
Residue SER   58 is missing expected H atoms. Skipping.
Residue VAL   59 is missing expected H atoms. Skipping.
Residue SER   60 is missing expected H atoms. Skipping.
Residue SER   61 is missing expected H atoms. Skipping.
Residue THR   62 is missing expected H atoms. Skipping.
Residue LEU   64 is missing expected H atoms. Skipping.
Residue ALA   65 is missing expected H atoms. Skipping.
Residue TYR   67 is missing expected H atoms. Skipping.
Residue LYS   70 is missing expected H atoms. Skipping.
Residue ALA   74 is missing expected H atoms. Skipping.
Residue LEU   77 is missing expected H atoms. Skipping.
Residue LEU   78 is missing expected H atoms. Skipping.
Residue ILE   79 is missing expected H atoms. Skipping.
Residue TYR   80 is missing expected H atoms. Skipping.
Residue ALA   82 is missing expected H atoms. Skipping.
Residue SER   83 is missing expected H atoms. Skipping.
Residue ALA   86 is missing expected H atoms. Skipping.
Residue THR   87 is missing expected H atoms. Skipping.
Residue ILE   89 is missing expected H atoms. Skipping.
Residue SER   94 is missing expected H atoms. Skipping.
Residue SER   96 is missing expected H atoms. Skipping.
Residue SER   98 is missing expected H atoms. Skipping.
Residue THR  100 is missing expected H atoms. Skipping.
Residue THR  103 is missing expected H atoms. Skipping.
Residue LEU  104 is missing expected H atoms. Skipping.
Residue THR  105 is missing expected H atoms. Skipping.
Residue ILE  106 is missing expected H atoms. Skipping.
Residue SER  107 is missing expected H atoms. Skipping.
Residue LEU  109 is missing expected H atoms. Skipping.
Residue ALA  115 is missing expected H atoms. Skipping.
Residue VAL  116 is missing expected H atoms. Skipping.
Residue TYR  117 is missing expected H atoms. Skipping.
Residue TYR  118 is missing expected H atoms. Skipping.
Residue TYR  122 is missing expected H atoms. Skipping.
Residue ALA  124 is missing expected H atoms. Skipping.
Residue THR  125 is missing expected H atoms. Skipping.
Residue TYR  126 is missing expected H atoms. Skipping.
Residue THR  127 is missing expected H atoms. Skipping.
Residue THR  132 is missing expected H atoms. Skipping.
Residue LYS  133 is missing expected H atoms. Skipping.
Residue LEU  134 is missing expected H atoms. Skipping.
Residue ILE  136 is missing expected H atoms. Skipping.
Residue LYS  137 is missing expected H atoms. Skipping.
Residue THR  139 is missing expected H atoms. Skipping.
Residue VAL  140 is missing expected H atoms. Skipping.
Residue ALA  141 is missing expected H atoms. Skipping.
Residue ALA  142 is missing expected H atoms. Skipping.
Residue SER  144 is missing expected H atoms. Skipping.
Residue VAL  145 is missing expected H atoms. Skipping.
Residue ILE  147 is missing expected H atoms. Skipping.
Residue SER  151 is missing expected H atoms. Skipping.
Residue LEU  155 is missing expected H atoms. Skipping.
Residue LYS  156 is missing expected H atoms. Skipping.
Residue SER  157 is missing expected H atoms. Skipping.
Residue THR  159 is missing expected H atoms. Skipping.
Residue ALA  160 is missing expected H atoms. Skipping.
Residue SER  161 is missing expected H atoms. Skipping.
Residue VAL  162 is missing expected H atoms. Skipping.
Residue VAL  163 is missing expected H atoms. Skipping.
Residue LEU  165 is missing expected H atoms. Skipping.
Residue LEU  166 is missing expected H atoms. Skipping.
Residue TYR  170 is missing expected H atoms. Skipping.
Residue ALA  174 is missing expected H atoms. Skipping.
Residue LYS  175 is missing expected H atoms. Skipping.
Residue VAL  176 is missing expected H atoms. Skipping.
Residue LYS  179 is missing expected H atoms. Skipping.
Residue VAL  180 is missing expected H atoms. Skipping.
Residue ALA  183 is missing expected H atoms. Skipping.
Residue LEU  184 is missing expected H atoms. Skipping.
Residue SER  186 is missing expected H atoms. Skipping.
Residue SER  189 is missing expected H atoms. Skipping.
Residue SER  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue THR  194 is missing expected H atoms. Skipping.
Residue SER  198 is missing expected H atoms. Skipping.
Residue LYS  199 is missing expected H atoms. Skipping.
Residue SER  201 is missing expected H atoms. Skipping.
Residue THR  202 is missing expected H atoms. Skipping.
Residue TYR  203 is missing expected H atoms. Skipping.
Residue SER  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue SER  206 is missing expected H atoms. Skipping.
Residue SER  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  209 is missing expected H atoms. Skipping.
Residue THR  210 is missing expected H atoms. Skipping.
Residue LEU  211 is missing expected H atoms. Skipping.
Residue SER  212 is missing expected H atoms. Skipping.
Residue LYS  213 is missing expected H atoms. Skipping.
Residue ALA  214 is missing expected H atoms. Skipping.
Residue TYR  216 is missing expected H atoms. Skipping.
Residue LYS  218 is missing expected H atoms. Skipping.
Residue LYS  220 is missing expected H atoms. Skipping.
Residue VAL  221 is missing expected H atoms. Skipping.
Residue TYR  222 is missing expected H atoms. Skipping.
Residue ALA  223 is missing expected H atoms. Skipping.
Residue VAL  226 is missing expected H atoms. Skipping.
Residue THR  227 is missing expected H atoms. Skipping.
Residue LEU  231 is missing expected H atoms. Skipping.
Residue SER  232 is missing expected H atoms. Skipping.
Residue SER  233 is missing expected H atoms. Skipping.
Residue VAL  235 is missing expected H atoms. Skipping.
Residue THR  236 is missing expected H atoms. Skipping.
Residue LYS  237 is missing expected H atoms. Skipping.
Residue SER  238 is missing expected H atoms. Skipping.
Residue LEU   12 is missing expected H atoms. Skipping.
Residue MET   13 is missing expected H atoms. Skipping.
Residue LYS   14 is missing expected H atoms. Skipping.
Residue THR   18 is missing expected H atoms. Skipping.
Residue LEU   19 is missing expected H atoms. Skipping.
Residue SER   20 is missing expected H atoms. Skipping.
Residue LEU   21 is missing expected H atoms. Skipping.
Residue THR   22 is missing expected H atoms. Skipping.
Residue ALA   24 is missing expected H atoms. Skipping.
Residue ILE   25 is missing expected H atoms. Skipping.
Residue SER   26 is missing expected H atoms. Skipping.
Residue SER   29 is missing expected H atoms. Skipping.
Residue VAL   30 is missing expected H atoms. Skipping.
Residue SER   31 is missing expected H atoms. Skipping.
Residue SER   32 is missing expected H atoms. Skipping.
Residue SER   34 is missing expected H atoms. Skipping.
Residue ALA   35 is missing expected H atoms. Skipping.
Residue ALA   36 is missing expected H atoms. Skipping.
Residue ILE   40 is missing expected H atoms. Skipping.
Residue SER   43 is missing expected H atoms. Skipping.
Residue SER   45 is missing expected H atoms. Skipping.
Residue LEU   48 is missing expected H atoms. Skipping.
Residue LEU   51 is missing expected H atoms. Skipping.
Residue THR   54 is missing expected H atoms. Skipping.
Residue TYR   55 is missing expected H atoms. Skipping.
Residue TYR   56 is missing expected H atoms. Skipping.
Residue SER   58 is missing expected H atoms. Skipping.
Residue LYS   59 is missing expected H atoms. Skipping.
Residue TYR   61 is missing expected H atoms. Skipping.
Residue TYR   64 is missing expected H atoms. Skipping.
Residue ALA   65 is missing expected H atoms. Skipping.
Residue VAL   66 is missing expected H atoms. Skipping.
Residue SER   67 is missing expected H atoms. Skipping.
Residue VAL   68 is missing expected H atoms. Skipping.
Residue LYS   69 is missing expected H atoms. Skipping.
Residue SER   70 is missing expected H atoms. Skipping.
Residue ILE   72 is missing expected H atoms. Skipping.
Residue THR   73 is missing expected H atoms. Skipping.
Residue ILE   74 is missing expected H atoms. Skipping.
Residue THR   78 is missing expected H atoms. Skipping.
Residue SER   79 is missing expected H atoms. Skipping.
Residue LYS   80 is missing expected H atoms. Skipping.
Residue SER   84 is missing expected H atoms. Skipping.
Residue LEU   85 is missing expected H atoms. Skipping.
Residue LEU   87 is missing expected H atoms. Skipping.
Residue SER   89 is missing expected H atoms. Skipping.
Residue VAL   90 is missing expected H atoms. Skipping.
Residue THR   91 is missing expected H atoms. Skipping.
Residue THR   95 is missing expected H atoms. Skipping.
Residue ALA   96 is missing expected H atoms. Skipping.
Residue VAL   97 is missing expected H atoms. Skipping.
Residue TYR   98 is missing expected H atoms. Skipping.
Residue TYR   99 is missing expected H atoms. Skipping.
Residue ALA  101 is missing expected H atoms. Skipping.
Residue ALA  103 is missing expected H atoms. Skipping.
Residue VAL  104 is missing expected H atoms. Skipping.
Residue ALA  105 is missing expected H atoms. Skipping.
Residue ALA  106 is missing expected H atoms. Skipping.
Residue SER  107 is missing expected H atoms. Skipping.
Residue TYR  110 is missing expected H atoms. Skipping.
Residue THR  115 is missing expected H atoms. Skipping.
Residue LEU  116 is missing expected H atoms. Skipping.
Residue VAL  117 is missing expected H atoms. Skipping.
Residue THR  118 is missing expected H atoms. Skipping.
Residue VAL  119 is missing expected H atoms. Skipping.
Residue SER  120 is missing expected H atoms. Skipping.
Residue SER  121 is missing expected H atoms. Skipping.
Residue ALA  122 is missing expected H atoms. Skipping.
Residue SER  123 is missing expected H atoms. Skipping.
Residue THR  124 is missing expected H atoms. Skipping.
Residue LYS  125 is missing expected H atoms. Skipping.
Residue SER  128 is missing expected H atoms. Skipping.
Residue VAL  129 is missing expected H atoms. Skipping.
Residue LEU  132 is missing expected H atoms. Skipping.
Residue ALA  133 is missing expected H atoms. Skipping.
Residue SER  135 is missing expected H atoms. Skipping.
Residue SER  136 is missing expected H atoms. Skipping.
Residue LYS  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue THR  139 is missing expected H atoms. Skipping.
Residue SER  140 is missing expected H atoms. Skipping.
Residue THR  143 is missing expected H atoms. Skipping.
Residue ALA  144 is missing expected H atoms. Skipping.
Residue ALA  145 is missing expected H atoms. Skipping.
Residue LEU  146 is missing expected H atoms. Skipping.
Residue LEU  149 is missing expected H atoms. Skipping.
Residue VAL  150 is missing expected H atoms. Skipping.
Residue LYS  151 is missing expected H atoms. Skipping.
Residue TYR  153 is missing expected H atoms. Skipping.
Residue VAL  158 is missing expected H atoms. Skipping.
Residue THR  159 is missing expected H atoms. Skipping.
Residue VAL  160 is missing expected H atoms. Skipping.
Residue SER  161 is missing expected H atoms. Skipping.
Residue SER  164 is missing expected H atoms. Skipping.
Residue ALA  166 is missing expected H atoms. Skipping.
Residue LEU  167 is missing expected H atoms. Skipping.
Residue THR  168 is missing expected H atoms. Skipping.
Residue SER  169 is missing expected H atoms. Skipping.
Residue VAL  171 is missing expected H atoms. Skipping.
Residue THR  173 is missing expected H atoms. Skipping.
Residue ALA  176 is missing expected H atoms. Skipping.
Residue VAL  177 is missing expected H atoms. Skipping.
Residue LEU  178 is missing expected H atoms. Skipping.
Residue SER  180 is missing expected H atoms. Skipping.
Residue SER  181 is missing expected H atoms. Skipping.
Residue LEU  183 is missing expected H atoms. Skipping.
Residue TYR  184 is missing expected H atoms. Skipping.
Residue SER  185 is missing expected H atoms. Skipping.
Residue LEU  186 is missing expected H atoms. Skipping.
Residue SER  187 is missing expected H atoms. Skipping.
Residue SER  188 is missing expected H atoms. Skipping.
Residue VAL  189 is missing expected H atoms. Skipping.
Residue VAL  190 is missing expected H atoms. Skipping.
Residue THR  191 is missing expected H atoms. Skipping.
Residue VAL  192 is missing expected H atoms. Skipping.
Residue SER  194 is missing expected H atoms. Skipping.
Residue SER  195 is missing expected H atoms. Skipping.
Residue SER  196 is missing expected H atoms. Skipping.
Residue LEU  197 is missing expected H atoms. Skipping.
Residue THR  199 is missing expected H atoms. Skipping.
Residue THR  201 is missing expected H atoms. Skipping.
Residue TYR  202 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue VAL  206 is missing expected H atoms. Skipping.
Residue LYS  209 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue THR  213 is missing expected H atoms. Skipping.
Residue LYS  214 is missing expected H atoms. Skipping.
Residue VAL  215 is missing expected H atoms. Skipping.
Residue LYS  217 is missing expected H atoms. Skipping.
Residue LYS  218 is missing expected H atoms. Skipping.
Residue VAL  219 is missing expected H atoms. Skipping.
Residue LYS  222 is missing expected H atoms. Skipping.
Residue SER  223 is missing expected H atoms. Skipping.
Evaluate side-chains
  13 residues out of total 858 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 0
    poor density    : 13
  time to evaluate  : 0.204 
Fit side-chains
  outliers start: 0
  outliers final: 0
  residues processed: 13
  average time/residue: 0.0295
  time to fit residues: 0.9887
Evaluate side-chains
  13 residues out of total 858 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 0
    poor density    : 13
  time to evaluate  : 0.225 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Rotamers are restrained with sigma=1.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 98
   random chunks:
   chunk 5 optimal weight:    9.9990
   chunk 31 optimal weight:   50.0000
   chunk 39 optimal weight:   40.0000
   chunk 74 optimal weight:   40.0000
   chunk 27 optimal weight:   20.0000
   chunk 72 optimal weight:   20.0000
   chunk 23 optimal weight:    8.9990
   chunk 65 optimal weight:   20.0000
   chunk 69 optimal weight:   30.0000
   chunk 58 optimal weight:   20.0000
   chunk 91 optimal weight:   20.0000
   overall best weight:   15.7996

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

No N/Q/H corrections needed this macrocycle
-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.3787 r_free = 0.3787 target = 0.080794 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 40)----------------|
| r_work = 0.3547 r_free = 0.3547 target = 0.061118 restraints weight = 113555.215|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 29)----------------|
| r_work = 0.3448 r_free = 0.3448 target = 0.057868 restraints weight = 106923.739|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 26)----------------|
| r_work = 0.3444 r_free = 0.3444 target = 0.057805 restraints weight = 108491.521|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 4; iterations = 27)----------------|
| r_work = 0.3436 r_free = 0.3436 target = 0.057517 restraints weight = 104163.146|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 5; iterations = 25)----------------|
| r_work = 0.3448 r_free = 0.3448 target = 0.057730 restraints weight = 83868.844|
|-----------------------------------------------------------------------------|
r_work (final): 0.3109
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7042
moved from start:          2.3774

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.007   0.049   3968  Z= 0.500
  Angle     :  1.159  10.699   4956  Z= 0.744
  Chirality :  0.000   0.000      0
  Planarity :  0.008   0.042    992
  Dihedral  :  9.893  54.572    992
  Min Nonbonded Distance : 2.215

Molprobity Statistics.
  All-atom Clashscore : 63.50
  Ramachandran Plot:
    Outliers :  0.91 %
    Allowed  : 31.81 %
    Favored  : 67.28 %
  Rotamer:
    Outliers :  0.00 %
    Allowed  :  0.00 %
    Favored  :  0.00 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 2.27 %
    Cis-general     : 0.00 %
    Twisted Proline : 2.27 %
    Twisted General : 0.53 %

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 are not related in a simple way.
  whole: -5.40 (0.22), residues: 984
  helix: -2.20 (0.24), residues: 395
  sheet: -2.81 (0.74), residues: 47
  loop : -5.04 (0.20), residues: 542


Details of bonding type rmsd/Z
  covalent geometry    : bond        0.00663 /  0.50 ( 3968)
  covalent geometry    : angle       1.15890 /  0.74 ( 4956)
  hydrogen bonds       : bond        0.10186 /  8.00 (  429)
  hydrogen bonds       : angle      12.01992 / 10.03 ( 1269)
Origin is already at (0, 0, 0), no shifts will be applied

===============================================================================
Job complete
usr+sys time: 1205.37 seconds
wall clock time: 21 minutes 9.17 seconds (1269.17 seconds total)