Starting phenix.real_space_refine
on Sun Sep 29 12:10:25 2024 by dcliebschner
===============================================================================

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

  Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6uvr_20914/09_2024/6uvr_20914.cif
  Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6uvr_20914/09_2024/6uvr_20914.map

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

  Adding command-line PHIL:
  -------------------------
    refinement.macro_cycles=10
    scattering_table=electron
    resolution=4.0
    write_initial_geo_file=False

Final processed PHIL parameters:
-------------------------------------------------------------------------------
  data_manager {
    real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6uvr_20914/09_2024/6uvr_20914.map"
    default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6uvr_20914/09_2024/6uvr_20914.map"
    model {
      file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6uvr_20914/09_2024/6uvr_20914.cif"
    }
    default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6uvr_20914/09_2024/6uvr_20914.cif"
  }
  resolution = 4.0
  write_initial_geo_file = False
  refinement {
    macro_cycles = 10
  }
  qi {
    qm_restraints {
      package {
        program = *test
      }
    }
  }


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

Validating inputs
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=   0.005
Set stop_for_unknowns flag
  Set to: True
Assert model is a single copy model
Assert all atoms have isotropic ADPs
Construct map_model_manager
Extract box with map and model
Check model and map are aligned
Set scattering table
  Set to: electron
  Number of scattering types: 5
    Type Number    sf(0)   Gaussians
     S      84      5.16       5
     C    8436      2.51       5
     N    2280      2.21       5
     O    2196      1.98       5
     H    9696      0.53       5
    sf(0) = scattering factor at diffraction angle 0.
Process input model

  Symmetric amino acids flipped. Time to flip 12 residue(s): 0.03s

  Monomer Library directory:
    "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5461/modules/chem_data/mon_lib"
  Total number of atoms: 22692
  Number of models: 1
  Model: ""
    Number of chains: 1
    Chain: "A"
      Number of atoms: 1891
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 160, 1891
          Classifications: {'peptide': 160}
          Link IDs: {'PTRANS': 6, 'TRANS': 153}
          Chain breaks: 1
          Unresolved non-hydrogen bonds: 217
          Unresolved non-hydrogen angles: 283
          Unresolved non-hydrogen dihedrals: 172
          Unresolved non-hydrogen chiralities: 36
          Planarities with less than four sites: {'GLN:plan1': 1, 'TYR:plan': 2, 'ASN:plan1': 3, 'TRP:plan': 1, 'HIS:plan': 1, 'PHE:plan': 3, 'GLU:plan': 4, 'ASP:plan': 3}
          Unresolved non-hydrogen planarities: 84
  Restraints were copied for chains:
    C, B, E, D, G, F, I, H, K, J, L
  Time building chain proxies: 5.82, per 1000 atoms: 0.26
  Number of scatterers: 22692
  At special positions: 0
  Unit cell: (98.58, 91.16, 140.98, 90, 90, 90)
  Space group: P 1 (No. 1)
  Number of sites at special positions: 0
  Number of scattering types: 5
    Type Number    sf(0)
     S      84     16.00
     O    2196      8.00
     N    2280      7.00
     C    8436      6.00
     H    9696      1.00
    sf(0) = scattering factor at diffraction angle 0.

  Number of disulfides: simple=3, symmetry=0
    Simple disulfide: pdb=" SG  CYS A  53 " - pdb=" SG  CYS A 180 " distance=2.03
    Simple disulfide: pdb=" SG  CYS A  60 " - pdb=" SG  CYS A 174 " distance=2.02
    Simple disulfide: pdb=" SG  CYS A  64 " - pdb=" SG  CYS A 169 " distance=2.03

  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: 5.55
  Conformation dependent library (CDL) restraints added in 2.0 seconds
  

  3744 Ramachandran restraints generated.
    1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2.
  Adding C-beta torsion restraints...
  Number of C-beta restraints generated:  3720

  Finding SS restraints...
    Secondary structure from input PDB file:
      71 helices and 12 sheets defined
      70.4% alpha, 3.8% beta
      0 base pairs and 0 stacking pairs defined.
    Time for finding SS restraints: 1.64
  Creating SS restraints...
    Processing helix  chain 'A' and resid 19 through 41
      removed outlier: 4.219A  pdb=" N   ILE A  23 " --> pdb=" O   SER A  19 " (cutoff:3.500A)
      removed outlier: 3.540A  pdb=" N   ALA A  39 " --> pdb=" O   ILE A  35 " (cutoff:3.500A)
      removed outlier: 4.498A  pdb=" N   LYS A  41 " --> pdb=" O   VAL A  37 " (cutoff:3.500A)
    Processing helix  chain 'A' and resid 43 through 47
      removed outlier: 4.052A  pdb=" N   ASP A  46 " --> pdb=" O   VAL A  43 " (cutoff:3.500A)
    Processing helix  chain 'A' and resid 59 through 69
    Processing helix  chain 'A' and resid 72 through 93
      removed outlier: 3.550A  pdb=" N   LEU A  76 " --> pdb=" O   SER A  72 " (cutoff:3.500A)
      Proline residue:  A  87  - end of helix
      removed outlier: 3.706A  pdb=" N   MET A  93 " --> pdb=" O   LEU A  89 " (cutoff:3.500A)
    Processing helix  chain 'A' and resid 135 through 158
      removed outlier: 4.029A  pdb=" N   GLU A 147 " --> pdb=" O   ARG A 143 " (cutoff:3.500A)
    Processing helix  chain 'A' and resid 184 through 211
    Processing helix  chain 'K' and resid 19 through 41
      removed outlier: 4.218A  pdb=" N   ILE K  23 " --> pdb=" O   SER K  19 " (cutoff:3.500A)
      removed outlier: 3.540A  pdb=" N   ALA K  39 " --> pdb=" O   ILE K  35 " (cutoff:3.500A)
      removed outlier: 4.499A  pdb=" N   LYS K  41 " --> pdb=" O   VAL K  37 " (cutoff:3.500A)
    Processing helix  chain 'K' and resid 43 through 47
      removed outlier: 4.053A  pdb=" N   ASP K  46 " --> pdb=" O   VAL K  43 " (cutoff:3.500A)
    Processing helix  chain 'K' and resid 59 through 69
    Processing helix  chain 'K' and resid 72 through 93
      removed outlier: 3.551A  pdb=" N   LEU K  76 " --> pdb=" O   SER K  72 " (cutoff:3.500A)
      Proline residue:  K  87  - end of helix
      removed outlier: 3.706A  pdb=" N   MET K  93 " --> pdb=" O   LEU K  89 " (cutoff:3.500A)
    Processing helix  chain 'K' and resid 135 through 158
      removed outlier: 4.029A  pdb=" N   GLU K 147 " --> pdb=" O   ARG K 143 " (cutoff:3.500A)
    Processing helix  chain 'K' and resid 184 through 211
    Processing helix  chain 'L' and resid 19 through 41
      removed outlier: 4.218A  pdb=" N   ILE L  23 " --> pdb=" O   SER L  19 " (cutoff:3.500A)
      removed outlier: 3.540A  pdb=" N   ALA L  39 " --> pdb=" O   ILE L  35 " (cutoff:3.500A)
      removed outlier: 4.498A  pdb=" N   LYS L  41 " --> pdb=" O   VAL L  37 " (cutoff:3.500A)
    Processing helix  chain 'L' and resid 43 through 47
      removed outlier: 4.053A  pdb=" N   ASP L  46 " --> pdb=" O   VAL L  43 " (cutoff:3.500A)
    Processing helix  chain 'L' and resid 59 through 69
    Processing helix  chain 'L' and resid 72 through 93
      removed outlier: 3.550A  pdb=" N   LEU L  76 " --> pdb=" O   SER L  72 " (cutoff:3.500A)
      Proline residue:  L  87  - end of helix
      removed outlier: 3.706A  pdb=" N   MET L  93 " --> pdb=" O   LEU L  89 " (cutoff:3.500A)
    Processing helix  chain 'L' and resid 135 through 158
      removed outlier: 4.029A  pdb=" N   GLU L 147 " --> pdb=" O   ARG L 143 " (cutoff:3.500A)
    Processing helix  chain 'L' and resid 184 through 211
    Processing helix  chain 'B' and resid 19 through 41
      removed outlier: 4.218A  pdb=" N   ILE B  23 " --> pdb=" O   SER B  19 " (cutoff:3.500A)
      removed outlier: 3.540A  pdb=" N   ALA B  39 " --> pdb=" O   ILE B  35 " (cutoff:3.500A)
      removed outlier: 4.497A  pdb=" N   LYS B  41 " --> pdb=" O   VAL B  37 " (cutoff:3.500A)
    Processing helix  chain 'B' and resid 43 through 47
      removed outlier: 4.053A  pdb=" N   ASP B  46 " --> pdb=" O   VAL B  43 " (cutoff:3.500A)
    Processing helix  chain 'B' and resid 59 through 69
    Processing helix  chain 'B' and resid 72 through 93
      removed outlier: 3.550A  pdb=" N   LEU B  76 " --> pdb=" O   SER B  72 " (cutoff:3.500A)
      Proline residue:  B  87  - end of helix
      removed outlier: 3.706A  pdb=" N   MET B  93 " --> pdb=" O   LEU B  89 " (cutoff:3.500A)
    Processing helix  chain 'B' and resid 135 through 158
      removed outlier: 4.028A  pdb=" N   GLU B 147 " --> pdb=" O   ARG B 143 " (cutoff:3.500A)
    Processing helix  chain 'B' and resid 184 through 211
    Processing helix  chain 'H' and resid 19 through 41
      removed outlier: 4.219A  pdb=" N   ILE H  23 " --> pdb=" O   SER H  19 " (cutoff:3.500A)
      removed outlier: 3.540A  pdb=" N   ALA H  39 " --> pdb=" O   ILE H  35 " (cutoff:3.500A)
      removed outlier: 4.498A  pdb=" N   LYS H  41 " --> pdb=" O   VAL H  37 " (cutoff:3.500A)
    Processing helix  chain 'H' and resid 43 through 47
      removed outlier: 4.052A  pdb=" N   ASP H  46 " --> pdb=" O   VAL H  43 " (cutoff:3.500A)
    Processing helix  chain 'H' and resid 59 through 69
    Processing helix  chain 'H' and resid 72 through 93
      removed outlier: 3.551A  pdb=" N   LEU H  76 " --> pdb=" O   SER H  72 " (cutoff:3.500A)
      Proline residue:  H  87  - end of helix
      removed outlier: 3.706A  pdb=" N   MET H  93 " --> pdb=" O   LEU H  89 " (cutoff:3.500A)
    Processing helix  chain 'H' and resid 135 through 158
      removed outlier: 4.029A  pdb=" N   GLU H 147 " --> pdb=" O   ARG H 143 " (cutoff:3.500A)
    Processing helix  chain 'H' and resid 184 through 211
    Processing helix  chain 'C' and resid 19 through 41
      removed outlier: 4.219A  pdb=" N   ILE C  23 " --> pdb=" O   SER C  19 " (cutoff:3.500A)
      removed outlier: 3.539A  pdb=" N   ALA C  39 " --> pdb=" O   ILE C  35 " (cutoff:3.500A)
      removed outlier: 4.498A  pdb=" N   LYS C  41 " --> pdb=" O   VAL C  37 " (cutoff:3.500A)
    Processing helix  chain 'C' and resid 43 through 47
      removed outlier: 4.052A  pdb=" N   ASP C  46 " --> pdb=" O   VAL C  43 " (cutoff:3.500A)
    Processing helix  chain 'C' and resid 59 through 69
    Processing helix  chain 'C' and resid 72 through 93
      removed outlier: 3.550A  pdb=" N   LEU C  76 " --> pdb=" O   SER C  72 " (cutoff:3.500A)
      Proline residue:  C  87  - end of helix
      removed outlier: 3.707A  pdb=" N   MET C  93 " --> pdb=" O   LEU C  89 " (cutoff:3.500A)
    Processing helix  chain 'C' and resid 135 through 158
      removed outlier: 4.029A  pdb=" N   GLU C 147 " --> pdb=" O   ARG C 143 " (cutoff:3.500A)
    Processing helix  chain 'C' and resid 184 through 211
    Processing helix  chain 'I' and resid 19 through 41
      removed outlier: 4.219A  pdb=" N   ILE I  23 " --> pdb=" O   SER I  19 " (cutoff:3.500A)
      removed outlier: 3.540A  pdb=" N   ALA I  39 " --> pdb=" O   ILE I  35 " (cutoff:3.500A)
      removed outlier: 4.498A  pdb=" N   LYS I  41 " --> pdb=" O   VAL I  37 " (cutoff:3.500A)
    Processing helix  chain 'I' and resid 43 through 47
      removed outlier: 4.052A  pdb=" N   ASP I  46 " --> pdb=" O   VAL I  43 " (cutoff:3.500A)
    Processing helix  chain 'I' and resid 59 through 69
    Processing helix  chain 'I' and resid 72 through 93
      removed outlier: 3.550A  pdb=" N   LEU I  76 " --> pdb=" O   SER I  72 " (cutoff:3.500A)
      Proline residue:  I  87  - end of helix
      removed outlier: 3.706A  pdb=" N   MET I  93 " --> pdb=" O   LEU I  89 " (cutoff:3.500A)
    Processing helix  chain 'I' and resid 135 through 158
      removed outlier: 4.029A  pdb=" N   GLU I 147 " --> pdb=" O   ARG I 143 " (cutoff:3.500A)
    Processing helix  chain 'I' and resid 184 through 211
    Processing helix  chain 'D' and resid 19 through 41
      removed outlier: 4.218A  pdb=" N   ILE D  23 " --> pdb=" O   SER D  19 " (cutoff:3.500A)
      removed outlier: 3.540A  pdb=" N   ALA D  39 " --> pdb=" O   ILE D  35 " (cutoff:3.500A)
      removed outlier: 4.499A  pdb=" N   LYS D  41 " --> pdb=" O   VAL D  37 " (cutoff:3.500A)
    Processing helix  chain 'D' and resid 43 through 47
      removed outlier: 4.052A  pdb=" N   ASP D  46 " --> pdb=" O   VAL D  43 " (cutoff:3.500A)
    Processing helix  chain 'D' and resid 59 through 69
    Processing helix  chain 'D' and resid 72 through 93
      removed outlier: 3.551A  pdb=" N   LEU D  76 " --> pdb=" O   SER D  72 " (cutoff:3.500A)
      Proline residue:  D  87  - end of helix
      removed outlier: 3.706A  pdb=" N   MET D  93 " --> pdb=" O   LEU D  89 " (cutoff:3.500A)
    Processing helix  chain 'D' and resid 135 through 158
      removed outlier: 4.029A  pdb=" N   GLU D 147 " --> pdb=" O   ARG D 143 " (cutoff:3.500A)
    Processing helix  chain 'D' and resid 184 through 211
    Processing helix  chain 'J' and resid 19 through 41
      removed outlier: 4.219A  pdb=" N   ILE J  23 " --> pdb=" O   SER J  19 " (cutoff:3.500A)
      removed outlier: 3.539A  pdb=" N   ALA J  39 " --> pdb=" O   ILE J  35 " (cutoff:3.500A)
      removed outlier: 4.498A  pdb=" N   LYS J  41 " --> pdb=" O   VAL J  37 " (cutoff:3.500A)
    Processing helix  chain 'J' and resid 43 through 47
      removed outlier: 4.052A  pdb=" N   ASP J  46 " --> pdb=" O   VAL J  43 " (cutoff:3.500A)
    Processing helix  chain 'J' and resid 59 through 69
    Processing helix  chain 'J' and resid 72 through 93
      removed outlier: 3.550A  pdb=" N   LEU J  76 " --> pdb=" O   SER J  72 " (cutoff:3.500A)
      Proline residue:  J  87  - end of helix
      removed outlier: 3.706A  pdb=" N   MET J  93 " --> pdb=" O   LEU J  89 " (cutoff:3.500A)
    Processing helix  chain 'J' and resid 135 through 158
      removed outlier: 4.029A  pdb=" N   GLU J 147 " --> pdb=" O   ARG J 143 " (cutoff:3.500A)
    Processing helix  chain 'J' and resid 184 through 211
    Processing helix  chain 'E' and resid 19 through 41
      removed outlier: 4.219A  pdb=" N   ILE E  23 " --> pdb=" O   SER E  19 " (cutoff:3.500A)
      removed outlier: 3.540A  pdb=" N   ALA E  39 " --> pdb=" O   ILE E  35 " (cutoff:3.500A)
      removed outlier: 4.499A  pdb=" N   LYS E  41 " --> pdb=" O   VAL E  37 " (cutoff:3.500A)
    Processing helix  chain 'E' and resid 59 through 69
    Processing helix  chain 'E' and resid 72 through 93
      removed outlier: 3.551A  pdb=" N   LEU E  76 " --> pdb=" O   SER E  72 " (cutoff:3.500A)
      Proline residue:  E  87  - end of helix
      removed outlier: 3.706A  pdb=" N   MET E  93 " --> pdb=" O   LEU E  89 " (cutoff:3.500A)
    Processing helix  chain 'E' and resid 135 through 158
      removed outlier: 4.029A  pdb=" N   GLU E 147 " --> pdb=" O   ARG E 143 " (cutoff:3.500A)
    Processing helix  chain 'E' and resid 184 through 211
    Processing helix  chain 'F' and resid 19 through 41
      removed outlier: 4.219A  pdb=" N   ILE F  23 " --> pdb=" O   SER F  19 " (cutoff:3.500A)
      removed outlier: 3.539A  pdb=" N   ALA F  39 " --> pdb=" O   ILE F  35 " (cutoff:3.500A)
      removed outlier: 4.497A  pdb=" N   LYS F  41 " --> pdb=" O   VAL F  37 " (cutoff:3.500A)
    Processing helix  chain 'F' and resid 43 through 47
      removed outlier: 4.053A  pdb=" N   ASP F  46 " --> pdb=" O   VAL F  43 " (cutoff:3.500A)
    Processing helix  chain 'F' and resid 59 through 69
    Processing helix  chain 'F' and resid 72 through 93
      removed outlier: 3.550A  pdb=" N   LEU F  76 " --> pdb=" O   SER F  72 " (cutoff:3.500A)
      Proline residue:  F  87  - end of helix
      removed outlier: 3.706A  pdb=" N   MET F  93 " --> pdb=" O   LEU F  89 " (cutoff:3.500A)
    Processing helix  chain 'F' and resid 135 through 158
      removed outlier: 4.028A  pdb=" N   GLU F 147 " --> pdb=" O   ARG F 143 " (cutoff:3.500A)
    Processing helix  chain 'F' and resid 184 through 211
    Processing helix  chain 'G' and resid 19 through 41
      removed outlier: 4.218A  pdb=" N   ILE G  23 " --> pdb=" O   SER G  19 " (cutoff:3.500A)
      removed outlier: 3.539A  pdb=" N   ALA G  39 " --> pdb=" O   ILE G  35 " (cutoff:3.500A)
      removed outlier: 4.498A  pdb=" N   LYS G  41 " --> pdb=" O   VAL G  37 " (cutoff:3.500A)
    Processing helix  chain 'G' and resid 43 through 47
      removed outlier: 4.053A  pdb=" N   ASP G  46 " --> pdb=" O   VAL G  43 " (cutoff:3.500A)
    Processing helix  chain 'G' and resid 59 through 69
    Processing helix  chain 'G' and resid 72 through 93
      removed outlier: 3.550A  pdb=" N   LEU G  76 " --> pdb=" O   SER G  72 " (cutoff:3.500A)
      Proline residue:  G  87  - end of helix
      removed outlier: 3.706A  pdb=" N   MET G  93 " --> pdb=" O   LEU G  89 " (cutoff:3.500A)
    Processing helix  chain 'G' and resid 135 through 158
      removed outlier: 4.029A  pdb=" N   GLU G 147 " --> pdb=" O   ARG G 143 " (cutoff:3.500A)
    Processing helix  chain 'G' and resid 184 through 211
    Processing sheet with id=AA1, first strand: chain 'A' and resid 166 through 169
    Processing sheet with id=AA2, first strand: chain 'K' and resid 166 through 169
    Processing sheet with id=AA3, first strand: chain 'L' and resid 166 through 169
    Processing sheet with id=AA4, first strand: chain 'B' and resid 166 through 169
    Processing sheet with id=AA5, first strand: chain 'H' and resid 166 through 169
    Processing sheet with id=AA6, first strand: chain 'C' and resid 166 through 169
    Processing sheet with id=AA7, first strand: chain 'I' and resid 166 through 169
    Processing sheet with id=AA8, first strand: chain 'D' and resid 166 through 169
    Processing sheet with id=AA9, first strand: chain 'J' and resid 166 through 169
    Processing sheet with id=AB1, first strand: chain 'E' and resid 166 through 169
    Processing sheet with id=AB2, first strand: chain 'F' and resid 166 through 169
    Processing sheet with id=AB3, first strand: chain 'G' and resid 166 through 169

    1007 hydrogen bonds defined for protein.
    2952 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: 7.32

  Time building geometry restraints manager: 6.74 seconds

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

  Histogram of bond lengths:
        0.84 -     1.03: 9684
        1.03 -     1.23: 39
        1.23 -     1.42: 5973
        1.42 -     1.61: 7272
        1.61 -     1.80: 84
  Bond restraints: 23052
  Sorted by residual:
  bond pdb=" CA  TRP C 172 "
       pdb=" C   TRP C 172 "
    ideal  model  delta    sigma   weight residual
    1.521  1.584 -0.063 1.08e-02 8.57e+03 3.38e+01
  bond pdb=" CA  TRP K 172 "
       pdb=" C   TRP K 172 "
    ideal  model  delta    sigma   weight residual
    1.521  1.583 -0.062 1.08e-02 8.57e+03 3.32e+01
  bond pdb=" CA  TRP A 172 "
       pdb=" C   TRP A 172 "
    ideal  model  delta    sigma   weight residual
    1.521  1.583 -0.062 1.08e-02 8.57e+03 3.29e+01
  bond pdb=" CA  TRP J 172 "
       pdb=" C   TRP J 172 "
    ideal  model  delta    sigma   weight residual
    1.521  1.583 -0.062 1.08e-02 8.57e+03 3.28e+01
  bond pdb=" CA  TRP E 172 "
       pdb=" C   TRP E 172 "
    ideal  model  delta    sigma   weight residual
    1.521  1.583 -0.062 1.08e-02 8.57e+03 3.28e+01
  ... (remaining 23047 not shown)

  Histogram of bond angle deviations from ideal:
        0.00 -     2.35: 38844
        2.35 -     4.70: 1391
        4.70 -     7.05: 389
        7.05 -     9.41: 80
        9.41 -    11.76: 24
  Bond angle restraints: 40728
  Sorted by residual:
  angle pdb=" N   ASP L 159 "
        pdb=" CA  ASP L 159 "
        pdb=" C   ASP L 159 "
      ideal   model   delta    sigma   weight residual
     110.64  100.76    9.88 1.48e+00 4.57e-01 4.46e+01
  angle pdb=" N   ASP J 159 "
        pdb=" CA  ASP J 159 "
        pdb=" C   ASP J 159 "
      ideal   model   delta    sigma   weight residual
     110.64  100.77    9.87 1.48e+00 4.57e-01 4.45e+01
  angle pdb=" N   ASP E 159 "
        pdb=" CA  ASP E 159 "
        pdb=" C   ASP E 159 "
      ideal   model   delta    sigma   weight residual
     110.64  100.77    9.87 1.48e+00 4.57e-01 4.45e+01
  angle pdb=" N   ASP K 159 "
        pdb=" CA  ASP K 159 "
        pdb=" C   ASP K 159 "
      ideal   model   delta    sigma   weight residual
     110.64  100.77    9.87 1.48e+00 4.57e-01 4.45e+01
  angle pdb=" N   ASP D 159 "
        pdb=" CA  ASP D 159 "
        pdb=" C   ASP D 159 "
      ideal   model   delta    sigma   weight residual
     110.64  100.78    9.86 1.48e+00 4.57e-01 4.44e+01
  ... (remaining 40723 not shown)

  Histogram of dihedral angle deviations from ideal:
        0.00 -    14.33: 11032
       14.33 -    28.67: 389
       28.67 -    43.00: 192
       43.00 -    57.33: 72
       57.33 -    71.66: 24
  Dihedral angle restraints: 11709
    sinusoidal: 4773
      harmonic: 6936
  Sorted by residual:
  dihedral pdb=" CA  SER J  19 "
           pdb=" C   SER J  19 "
           pdb=" N   ILE J  20 "
           pdb=" CA  ILE J  20 "
      ideal   model   delta  harmonic     sigma   weight residual
     180.00  158.56   21.44     0      5.00e+00 4.00e-02 1.84e+01
  dihedral pdb=" CA  SER G  19 "
           pdb=" C   SER G  19 "
           pdb=" N   ILE G  20 "
           pdb=" CA  ILE G  20 "
      ideal   model   delta  harmonic     sigma   weight residual
     180.00  158.58   21.42     0      5.00e+00 4.00e-02 1.84e+01
  dihedral pdb=" CA  SER E  19 "
           pdb=" C   SER E  19 "
           pdb=" N   ILE E  20 "
           pdb=" CA  ILE E  20 "
      ideal   model   delta  harmonic     sigma   weight residual
     180.00  158.60   21.40     0      5.00e+00 4.00e-02 1.83e+01
  ... (remaining 11706 not shown)

  Histogram of chiral volume deviations from ideal:
       0.000 -    0.056: 1432
       0.056 -    0.112: 572
       0.112 -    0.168: 72
       0.168 -    0.224: 24
       0.224 -    0.280: 12
  Chirality restraints: 2112
  Sorted by residual:
  chirality pdb=" CA  TRP H 172 "
            pdb=" N   TRP H 172 "
            pdb=" C   TRP H 172 "
            pdb=" CB  TRP H 172 "
    both_signs  ideal   model   delta    sigma   weight residual
      False      2.51    2.23    0.28 2.00e-01 2.50e+01 1.96e+00
  chirality pdb=" CA  TRP D 172 "
            pdb=" N   TRP D 172 "
            pdb=" C   TRP D 172 "
            pdb=" CB  TRP D 172 "
    both_signs  ideal   model   delta    sigma   weight residual
      False      2.51    2.23    0.28 2.00e-01 2.50e+01 1.95e+00
  chirality pdb=" CA  TRP E 172 "
            pdb=" N   TRP E 172 "
            pdb=" C   TRP E 172 "
            pdb=" CB  TRP E 172 "
    both_signs  ideal   model   delta    sigma   weight residual
      False      2.51    2.23    0.28 2.00e-01 2.50e+01 1.93e+00
  ... (remaining 2109 not shown)

  Planarity restraints: 4212
  Sorted by residual:
                                 delta    sigma   weight rms_deltas residual
  plane pdb=" C   ASP C 159 "    0.056 2.00e-02 2.50e+03   1.02e-01 1.05e+02
        pdb=" N   GLY C 160 "   -0.177 2.00e-02 2.50e+03
        pdb=" CA  GLY C 160 "    0.047 2.00e-02 2.50e+03
        pdb=" H   GLY C 160 "    0.073 2.00e-02 2.50e+03
                                 delta    sigma   weight rms_deltas residual
  plane pdb=" C   ASP L 159 "   -0.056 2.00e-02 2.50e+03   1.02e-01 1.05e+02
        pdb=" N   GLY L 160 "    0.177 2.00e-02 2.50e+03
        pdb=" CA  GLY L 160 "   -0.047 2.00e-02 2.50e+03
        pdb=" H   GLY L 160 "   -0.073 2.00e-02 2.50e+03
                                 delta    sigma   weight rms_deltas residual
  plane pdb=" C   ASP D 159 "    0.056 2.00e-02 2.50e+03   1.02e-01 1.05e+02
        pdb=" N   GLY D 160 "   -0.176 2.00e-02 2.50e+03
        pdb=" CA  GLY D 160 "    0.047 2.00e-02 2.50e+03
        pdb=" H   GLY D 160 "    0.073 2.00e-02 2.50e+03
  ... (remaining 4209 not shown)

  Histogram of nonbonded interaction distances:
        1.31 -     1.97: 153
        1.97 -     2.62: 23159
        2.62 -     3.28: 61670
        3.28 -     3.94: 67935
        3.94 -     4.60: 109208
  Nonbonded interactions: 262125
  Sorted by model distance:
  nonbonded pdb="HD22 LEU A 166 "
            pdb=" HZ3 TRP I 172 "
     model   vdw
     1.307 2.270
  nonbonded pdb=" HE  ARG H  75 "
            pdb=" OE1 GLU D  42 "
     model   vdw
     1.548 2.450
  nonbonded pdb=" HE  ARG B  75 "
            pdb=" OE1 GLU C  42 "
     model   vdw
     1.557 2.450
  nonbonded pdb="HD22 LEU J 166 "
            pdb=" HZ3 TRP E 172 "
     model   vdw
     1.563 2.270
  nonbonded pdb=" HZ3 TRP H 172 "
            pdb="HD22 LEU D 166 "
     model   vdw
     1.563 2.270
  ... (remaining 262120 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'
  selection = chain 'C'
  selection = chain 'D'
  selection = chain 'E'
  selection = chain 'F'
  selection = chain 'G'
  selection = chain 'H'
  selection = chain 'I'
  selection = chain 'J'
  selection = chain 'K'
  selection = chain 'L'
}

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:             1.320
  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:             0.440
  Extract box with map and model:          0.730
  Check model and map are aligned:         0.140
  Set scattering table:                    0.190
  Process input model:                     40.750
  Find NCS groups from input model:        0.540
  Set up NCS constraints:                  0.050
  Set refine NCS operators:                0.000
  Adjust number of macro_cycles:           0.000
  Reset NCS operators:                     0.000
  Extract rigid body selections:           0.000
  Check and reset occupancies:             0.000
  Load rotamer database and sin/cos tables:2.900
  Set ADP refinement strategy:             0.000
  Make a string to write initial .geo file:0.000
  Internal consistency checks:             0.000
  Total:   47.060
-------------------------------------------------------------------------------
Set refinement monitor
**********************
-------------------------------------------------------------------------------
Setup refinement engine
***********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7689
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      :  0.011   0.070  13356  Z= 0.718
  Angle     :  1.122   9.879  18372  Z= 0.722
  Chirality :  0.062   0.280   2112
  Planarity :  0.006   0.031   2388
  Dihedral  :  8.485  42.830   3840
  Min Nonbonded Distance : 2.021

Molprobity Statistics.
  All-atom Clashscore : 10.49
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  : 10.36 %
    Favored  : 89.64 %
  Rotamer:
    Outliers :  0.00 %
    Allowed  :  2.67 %
    Favored  : 97.33 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole: -5.14 (0.13), residues: 1872
  helix: -3.11 (0.10), residues: 1212
  sheet: -3.55 (0.32), residues: 132
  loop : -3.47 (0.20), residues: 528

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.013   0.001   TRP E 172 
 HIS   0.009   0.004   HIS B  73 
 PHE   0.014   0.002   PHE E  69 
 TYR   0.012   0.002   TYR B  68 
 ARG   0.012   0.002   ARG G  75 

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

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

  3744 Ramachandran restraints generated.
    1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  3744 Ramachandran restraints generated.
    1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Evaluate side-chains
  500 residues out of total 1728 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 0
    poor density    : 500
  time to evaluate  : 1.906 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
REVERT: K   18 THR cc_start: 0.7017 (m) cc_final: 0.6505 (t)
REVERT: K  139 SER cc_start: 0.7895 (p) cc_final: 0.7687 (p)
REVERT: K  155 TYR cc_start: 0.8199 (t80) cc_final: 0.7673 (t80)
REVERT: L   18 THR cc_start: 0.6966 (m) cc_final: 0.6466 (t)
REVERT: L  155 TYR cc_start: 0.8200 (t80) cc_final: 0.7604 (t80)
REVERT: B   18 THR cc_start: 0.6948 (m) cc_final: 0.6441 (t)
REVERT: B  155 TYR cc_start: 0.8189 (t80) cc_final: 0.7639 (t80)
REVERT: H   18 THR cc_start: 0.6783 (m) cc_final: 0.6253 (t)
REVERT: H  155 TYR cc_start: 0.8188 (t80) cc_final: 0.7601 (t80)
REVERT: C  155 TYR cc_start: 0.8149 (t80) cc_final: 0.7740 (t80)
REVERT: I   18 THR cc_start: 0.7358 (m) cc_final: 0.6926 (t)
REVERT: I  155 TYR cc_start: 0.8125 (t80) cc_final: 0.7631 (t80)
REVERT: D   18 THR cc_start: 0.7521 (m) cc_final: 0.6992 (t)
REVERT: J   75 ARG cc_start: 0.7770 (mpt-90) cc_final: 0.6792 (mmt90)
REVERT: J  155 TYR cc_start: 0.8150 (t80) cc_final: 0.7637 (t80)
REVERT: E   18 THR cc_start: 0.7580 (m) cc_final: 0.7041 (t)
REVERT: G  155 TYR cc_start: 0.8193 (t80) cc_final: 0.7817 (t80)
  outliers start: 0
  outliers final: 0
  residues processed: 500
  average time/residue: 0.5534
  time to fit residues: 375.5223
Evaluate side-chains
  341 residues out of total 1728 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 0
    poor density    : 341
  time to evaluate  : 2.024 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Rotamers are restrained with sigma=5.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 192
   random chunks:
   chunk 162 optimal weight:    0.9980
   chunk 145 optimal weight:    7.9990
   chunk 80 optimal weight:    0.9980
   chunk 49 optimal weight:    4.9990
   chunk 98 optimal weight:    4.9990
   chunk 77 optimal weight:    3.9990
   chunk 150 optimal weight:    4.9990
   chunk 58 optimal weight:    3.9990
   chunk 91 optimal weight:    1.9990
   chunk 112 optimal weight:    0.9990
   chunk 174 optimal weight:    0.9990
   overall best weight:    1.1986

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

Flipped N/Q/H residues before XYZ refinement:
A 164 GLN

Total number of N/Q/H flips: 1

-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7804
moved from start:          0.3574

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.003   0.025  13356  Z= 0.182
  Angle     :  0.550   5.649  18372  Z= 0.303
  Chirality :  0.042   0.133   2112
  Planarity :  0.005   0.072   2388
  Dihedral  :  3.775  17.355   2016
  Min Nonbonded Distance : 2.522

Molprobity Statistics.
  All-atom Clashscore : 4.41
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  5.50 %
    Favored  : 94.50 %
  Rotamer:
    Outliers :  0.89 %
    Allowed  : 13.00 %
    Favored  : 86.11 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole: -1.05 (0.18), residues: 1872
  helix:  0.12 (0.13), residues: 1320
  sheet: -2.03 (0.44), residues: 120
  loop : -2.60 (0.25), residues: 432

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.014   0.002   TRP K 172 
 HIS   0.004   0.001   HIS D  73 
 PHE   0.012   0.001   PHE J  31 
 TYR   0.008   0.001   TYR A 158 
 ARG   0.004   0.000   ARG D  75 

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

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

  3744 Ramachandran restraints generated.
    1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  3744 Ramachandran restraints generated.
    1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Evaluate side-chains
  392 residues out of total 1728 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 8
    poor density    : 384
  time to evaluate  : 1.821 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
REVERT: A  152 TYR cc_start: 0.8188 (t80) cc_final: 0.7926 (t80)
REVERT: K   18 THR cc_start: 0.6598 (m) cc_final: 0.6251 (t)
REVERT: K   23 ILE cc_start: 0.8933 (mp) cc_final: 0.8338 (tp)
REVERT: K  155 TYR cc_start: 0.8082 (t80) cc_final: 0.7772 (t80)
REVERT: L   18 THR cc_start: 0.6671 (m) cc_final: 0.6275 (t)
REVERT: L   23 ILE cc_start: 0.8830 (mp) cc_final: 0.8255 (tp)
REVERT: L  155 TYR cc_start: 0.7994 (t80) cc_final: 0.7666 (t80)
REVERT: B   18 THR cc_start: 0.6498 (m) cc_final: 0.6084 (t)
REVERT: B   23 ILE cc_start: 0.8931 (mp) cc_final: 0.8342 (tp)
REVERT: B  155 TYR cc_start: 0.8058 (t80) cc_final: 0.7755 (t80)
REVERT: H   18 THR cc_start: 0.6614 (m) cc_final: 0.6410 (t)
REVERT: H   23 ILE cc_start: 0.8756 (mp) cc_final: 0.8212 (tp)
REVERT: H  146 PHE cc_start: 0.8331 (m-10) cc_final: 0.8115 (m-10)
REVERT: H  155 TYR cc_start: 0.8011 (t80) cc_final: 0.7685 (t80)
REVERT: C   18 THR cc_start: 0.7201 (m) cc_final: 0.6846 (t)
REVERT: C   23 ILE cc_start: 0.8805 (mp) cc_final: 0.8105 (tp)
REVERT: C  155 TYR cc_start: 0.8195 (t80) cc_final: 0.7887 (t80)
REVERT: I   18 THR cc_start: 0.6798 (m) cc_final: 0.6438 (t)
REVERT: I   23 ILE cc_start: 0.8961 (mp) cc_final: 0.8320 (tp)
REVERT: I  155 TYR cc_start: 0.8152 (t80) cc_final: 0.7773 (t80)
REVERT: D   18 THR cc_start: 0.7260 (m) cc_final: 0.6866 (t)
REVERT: D   23 ILE cc_start: 0.8879 (mp) cc_final: 0.8196 (tp)
REVERT: D  150 PHE cc_start: 0.8388 (m-80) cc_final: 0.8184 (m-80)
REVERT: D  155 TYR cc_start: 0.7897 (t80) cc_final: 0.7578 (t80)
REVERT: J   18 THR cc_start: 0.6920 (m) cc_final: 0.6424 (t)
REVERT: J   23 ILE cc_start: 0.8820 (mp) cc_final: 0.8303 (tp)
REVERT: E   18 THR cc_start: 0.7279 (m) cc_final: 0.6919 (t)
REVERT: E   23 ILE cc_start: 0.8827 (mp) cc_final: 0.8149 (tp)
REVERT: E  155 TYR cc_start: 0.7913 (t80) cc_final: 0.7650 (t80)
REVERT: F   18 THR cc_start: 0.7160 (m) cc_final: 0.6739 (t)
REVERT: F  155 TYR cc_start: 0.8198 (t80) cc_final: 0.7724 (t80)
REVERT: G   18 THR cc_start: 0.7147 (m) cc_final: 0.6725 (t)
REVERT: G   23 ILE cc_start: 0.8862 (mp) cc_final: 0.8196 (tp)
REVERT: G  155 TYR cc_start: 0.8190 (t80) cc_final: 0.7886 (t80)
  outliers start: 8
  outliers final: 7
  residues processed: 388
  average time/residue: 0.3741
  time to fit residues: 223.4246
Evaluate side-chains
  333 residues out of total 1728 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 7
    poor density    : 326
  time to evaluate  : 1.705 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue   37 VAL
Chi-restraints excluded: chain A residue  166 LEU
Chi-restraints excluded: chain A residue  178 VAL
Chi-restraints excluded: chain K residue   72 SER
Chi-restraints excluded: chain B residue   72 SER
Chi-restraints excluded: chain D residue   82 ILE
Chi-restraints excluded: chain J residue   82 ILE
Rotamers are restrained with sigma=4.50
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 192
   random chunks:
   chunk 96 optimal weight:   10.0000
   chunk 54 optimal weight:   10.0000
   chunk 145 optimal weight:    5.9990
   chunk 118 optimal weight:    6.9990
   chunk 48 optimal weight:    6.9990
   chunk 174 optimal weight:    2.9990
   chunk 188 optimal weight:    5.9990
   chunk 155 optimal weight:    0.7980
   chunk 173 optimal weight:    1.9990
   chunk 59 optimal weight:    8.9990
   chunk 140 optimal weight:    2.9990
   overall best weight:    2.9588

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

No N/Q/H corrections needed this macrocycle
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7941
moved from start:          0.4833

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.004   0.039  13356  Z= 0.260
  Angle     :  0.542   5.351  18372  Z= 0.303
  Chirality :  0.042   0.114   2112
  Planarity :  0.005   0.069   2388
  Dihedral  :  3.598  16.609   2016
  Min Nonbonded Distance : 2.410

Molprobity Statistics.
  All-atom Clashscore : 4.50
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  7.59 %
    Favored  : 92.41 %
  Rotamer:
    Outliers :  2.89 %
    Allowed  : 14.67 %
    Favored  : 82.44 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole:  0.79 (0.20), residues: 1872
  helix:  1.93 (0.14), residues: 1272
  sheet: -1.56 (0.47), residues: 120
  loop : -2.94 (0.24), residues: 480

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.008   0.001   TRP C 172 
 HIS   0.003   0.001   HIS C  73 
 PHE   0.026   0.002   PHE C 146 
 TYR   0.012   0.002   TYR L  68 
 ARG   0.002   0.000   ARG K  75 

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

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

  3744 Ramachandran restraints generated.
    1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  3744 Ramachandran restraints generated.
    1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Evaluate side-chains
  347 residues out of total 1728 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 26
    poor density    : 321
  time to evaluate  : 2.007 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
REVERT: A  152 TYR cc_start: 0.8246 (t80) cc_final: 0.7932 (t80)
REVERT: K   18 THR cc_start: 0.6869 (m) cc_final: 0.6559 (t)
REVERT: K   23 ILE cc_start: 0.8969 (mp) cc_final: 0.8469 (tp)
REVERT: L   18 THR cc_start: 0.6774 (m) cc_final: 0.6451 (t)
REVERT: L   23 ILE cc_start: 0.9043 (mp) cc_final: 0.8516 (tp)
REVERT: B   18 THR cc_start: 0.6783 (m) cc_final: 0.6475 (t)
REVERT: B   23 ILE cc_start: 0.8953 (mp) cc_final: 0.8457 (tp)
REVERT: H   18 THR cc_start: 0.6788 (m) cc_final: 0.6353 (t)
REVERT: H   23 ILE cc_start: 0.9019 (mp) cc_final: 0.8543 (tp)
REVERT: C   18 THR cc_start: 0.7289 (m) cc_final: 0.6950 (t)
REVERT: C   23 ILE cc_start: 0.9006 (mp) cc_final: 0.8377 (tp)
REVERT: C  155 TYR cc_start: 0.8364 (t80) cc_final: 0.7933 (t80)
REVERT: I   18 THR cc_start: 0.6768 (m) cc_final: 0.6413 (t)
REVERT: I   23 ILE cc_start: 0.9069 (mp) cc_final: 0.8465 (tp)
REVERT: I  152 TYR cc_start: 0.8212 (t80) cc_final: 0.7972 (t80)
REVERT: D   18 THR cc_start: 0.7351 (m) cc_final: 0.7016 (t)
REVERT: D   23 ILE cc_start: 0.9020 (mp) cc_final: 0.8421 (tp)
REVERT: J   18 THR cc_start: 0.7111 (m) cc_final: 0.6600 (t)
REVERT: J   23 ILE cc_start: 0.8972 (mp) cc_final: 0.8488 (tp)
REVERT: E   18 THR cc_start: 0.7380 (m) cc_final: 0.7047 (t)
REVERT: E   23 ILE cc_start: 0.8998 (mp) cc_final: 0.8419 (tp)
REVERT: F   18 THR cc_start: 0.7305 (m) cc_final: 0.6923 (t)
REVERT: F   23 ILE cc_start: 0.8751 (pt) cc_final: 0.8390 (tp)
REVERT: F  154 PHE cc_start: 0.9049 (t80) cc_final: 0.8682 (t80)
REVERT: G   18 THR cc_start: 0.6968 (m) cc_final: 0.6589 (t)
REVERT: G   23 ILE cc_start: 0.9014 (mp) cc_final: 0.8401 (tp)
REVERT: G  155 TYR cc_start: 0.8350 (t80) cc_final: 0.7920 (t80)
  outliers start: 26
  outliers final: 26
  residues processed: 335
  average time/residue: 0.3818
  time to fit residues: 194.1297
Evaluate side-chains
  323 residues out of total 1728 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 26
    poor density    : 297
  time to evaluate  : 1.856 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue   37 VAL
Chi-restraints excluded: chain A residue   71 ILE
Chi-restraints excluded: chain K residue  139 SER
Chi-restraints excluded: chain K residue  167 VAL
Chi-restraints excluded: chain L residue  167 VAL
Chi-restraints excluded: chain B residue  139 SER
Chi-restraints excluded: chain B residue  167 VAL
Chi-restraints excluded: chain H residue   60 CYS
Chi-restraints excluded: chain H residue  167 VAL
Chi-restraints excluded: chain C residue   60 CYS
Chi-restraints excluded: chain C residue  153 VAL
Chi-restraints excluded: chain I residue   37 VAL
Chi-restraints excluded: chain I residue  153 VAL
Chi-restraints excluded: chain D residue   60 CYS
Chi-restraints excluded: chain D residue  139 SER
Chi-restraints excluded: chain J residue   60 CYS
Chi-restraints excluded: chain J residue   74 ILE
Chi-restraints excluded: chain J residue  153 VAL
Chi-restraints excluded: chain E residue   60 CYS
Chi-restraints excluded: chain E residue   74 ILE
Chi-restraints excluded: chain E residue  139 SER
Chi-restraints excluded: chain F residue   36 LEU
Chi-restraints excluded: chain F residue  153 VAL
Chi-restraints excluded: chain G residue   36 LEU
Chi-restraints excluded: chain G residue   37 VAL
Chi-restraints excluded: chain G residue  153 VAL
Rotamers are restrained with sigma=4.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 192
   random chunks:
   chunk 172 optimal weight:    5.9990
   chunk 131 optimal weight:    6.9990
   chunk 90 optimal weight:    5.9990
   chunk 19 optimal weight:    5.9990
   chunk 83 optimal weight:    5.9990
   chunk 117 optimal weight:    4.9990
   chunk 175 optimal weight:    4.9990
   chunk 185 optimal weight:    7.9990
   chunk 91 optimal weight:    2.9990
   chunk 166 optimal weight:    6.9990
   chunk 50 optimal weight:    4.9990
   overall best weight:    4.7990

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

No N/Q/H corrections needed this macrocycle
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8050
moved from start:          0.6010

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.006   0.045  13356  Z= 0.389
  Angle     :  0.601   5.280  18372  Z= 0.343
  Chirality :  0.044   0.119   2112
  Planarity :  0.005   0.038   2388
  Dihedral  :  3.986  17.316   2016
  Min Nonbonded Distance : 2.430

Molprobity Statistics.
  All-atom Clashscore : 4.28
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  9.35 %
    Favored  : 90.65 %
  Rotamer:
    Outliers :  4.89 %
    Allowed  : 14.22 %
    Favored  : 80.89 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole:  0.82 (0.19), residues: 1872
  helix:  1.90 (0.14), residues: 1272
  sheet: -1.58 (0.48), residues: 120
  loop : -2.75 (0.26), residues: 480

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.009   0.002   TRP I 172 
 HIS   0.004   0.001   HIS J  73 
 PHE   0.022   0.002   PHE E  31 
 TYR   0.013   0.002   TYR A 155 
 ARG   0.006   0.000   ARG J  75 

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

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

  3744 Ramachandran restraints generated.
    1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  3744 Ramachandran restraints generated.
    1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Evaluate side-chains
  350 residues out of total 1728 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 44
    poor density    : 306
  time to evaluate  : 1.939 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
REVERT: A  152 TYR cc_start: 0.8295 (t80) cc_final: 0.8018 (t80)
REVERT: K   18 THR cc_start: 0.7158 (m) cc_final: 0.6836 (t)
REVERT: K   23 ILE cc_start: 0.9100 (mp) cc_final: 0.8717 (tp)
REVERT: K   65 TYR cc_start: 0.8770 (t80) cc_final: 0.8357 (t80)
REVERT: L   18 THR cc_start: 0.6889 (m) cc_final: 0.6668 (t)
REVERT: L   23 ILE cc_start: 0.9039 (mp) cc_final: 0.8659 (tp)
REVERT: B   18 THR cc_start: 0.7077 (m) cc_final: 0.6795 (t)
REVERT: B   23 ILE cc_start: 0.9081 (mp) cc_final: 0.8697 (tp)
REVERT: H   18 THR cc_start: 0.7027 (m) cc_final: 0.6711 (t)
REVERT: H   23 ILE cc_start: 0.9032 (mp) cc_final: 0.8693 (tp)
REVERT: C   18 THR cc_start: 0.7127 (m) cc_final: 0.6710 (t)
REVERT: C   23 ILE cc_start: 0.9140 (mp) cc_final: 0.8612 (tp)
REVERT: C  146 PHE cc_start: 0.8620 (m-80) cc_final: 0.8374 (m-80)
REVERT: I   18 THR cc_start: 0.6803 (m) cc_final: 0.6475 (t)
REVERT: I   23 ILE cc_start: 0.9129 (mp) cc_final: 0.8637 (tp)
REVERT: I  152 TYR cc_start: 0.8263 (t80) cc_final: 0.8048 (t80)
REVERT: D   18 THR cc_start: 0.7455 (m) cc_final: 0.7142 (t)
REVERT: D   23 ILE cc_start: 0.9065 (mp) cc_final: 0.8597 (tp)
REVERT: D   65 TYR cc_start: 0.8787 (t80) cc_final: 0.8280 (t80)
REVERT: J   18 THR cc_start: 0.7307 (m) cc_final: 0.6947 (t)
REVERT: J   23 ILE cc_start: 0.9056 (mp) cc_final: 0.8639 (tp)
REVERT: J   75 ARG cc_start: 0.8078 (mpt-90) cc_final: 0.7758 (mmt90)
REVERT: J  152 TYR cc_start: 0.8236 (t80) cc_final: 0.8017 (t80)
REVERT: E   18 THR cc_start: 0.7458 (m) cc_final: 0.7147 (t)
REVERT: E   23 ILE cc_start: 0.9068 (mp) cc_final: 0.8612 (tp)
REVERT: E  146 PHE cc_start: 0.8562 (m-80) cc_final: 0.8201 (m-80)
REVERT: F   18 THR cc_start: 0.7221 (m) cc_final: 0.6898 (t)
REVERT: F   23 ILE cc_start: 0.8865 (pt) cc_final: 0.8580 (tp)
REVERT: G   18 THR cc_start: 0.7121 (m) cc_final: 0.6753 (t)
REVERT: G   23 ILE cc_start: 0.9158 (mp) cc_final: 0.8675 (tp)
REVERT: G  146 PHE cc_start: 0.8626 (m-80) cc_final: 0.8347 (m-80)
  outliers start: 44
  outliers final: 36
  residues processed: 326
  average time/residue: 0.3782
  time to fit residues: 187.6721
Evaluate side-chains
  335 residues out of total 1728 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 36
    poor density    : 299
  time to evaluate  : 1.725 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue   37 VAL
Chi-restraints excluded: chain A residue  178 VAL
Chi-restraints excluded: chain K residue   74 ILE
Chi-restraints excluded: chain K residue  167 VAL
Chi-restraints excluded: chain L residue   74 ILE
Chi-restraints excluded: chain L residue  153 VAL
Chi-restraints excluded: chain L residue  167 VAL
Chi-restraints excluded: chain B residue   74 ILE
Chi-restraints excluded: chain B residue  139 SER
Chi-restraints excluded: chain B residue  153 VAL
Chi-restraints excluded: chain B residue  167 VAL
Chi-restraints excluded: chain H residue   60 CYS
Chi-restraints excluded: chain H residue   74 ILE
Chi-restraints excluded: chain H residue   82 ILE
Chi-restraints excluded: chain H residue  153 VAL
Chi-restraints excluded: chain H residue  167 VAL
Chi-restraints excluded: chain C residue   36 LEU
Chi-restraints excluded: chain C residue  153 VAL
Chi-restraints excluded: chain I residue   36 LEU
Chi-restraints excluded: chain I residue   37 VAL
Chi-restraints excluded: chain I residue   74 ILE
Chi-restraints excluded: chain I residue  153 VAL
Chi-restraints excluded: chain D residue   74 ILE
Chi-restraints excluded: chain J residue   36 LEU
Chi-restraints excluded: chain J residue   74 ILE
Chi-restraints excluded: chain J residue  153 VAL
Chi-restraints excluded: chain E residue   74 ILE
Chi-restraints excluded: chain E residue  139 SER
Chi-restraints excluded: chain F residue   36 LEU
Chi-restraints excluded: chain F residue   74 ILE
Chi-restraints excluded: chain F residue  139 SER
Chi-restraints excluded: chain F residue  153 VAL
Chi-restraints excluded: chain G residue   36 LEU
Chi-restraints excluded: chain G residue   37 VAL
Chi-restraints excluded: chain G residue   38 VAL
Chi-restraints excluded: chain G residue  153 VAL
Rotamers are restrained with sigma=3.50
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 192
   random chunks:
   chunk 154 optimal weight:    0.5980
   chunk 105 optimal weight:    7.9990
   chunk 2 optimal weight:    0.5980
   chunk 138 optimal weight:    0.9980
   chunk 76 optimal weight:    0.8980
   chunk 158 optimal weight:    0.9980
   chunk 128 optimal weight:   10.0000
   chunk 0 optimal weight:   10.0000
   chunk 94 optimal weight:    1.9990
   chunk 166 optimal weight:   10.0000
   chunk 46 optimal weight:    0.9990
   overall best weight:    0.8180

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

No N/Q/H corrections needed this macrocycle
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7987
moved from start:          0.6237

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.002   0.030  13356  Z= 0.145
  Angle     :  0.476   5.016  18372  Z= 0.258
  Chirality :  0.041   0.134   2112
  Planarity :  0.004   0.038   2388
  Dihedral  :  3.417  14.893   2016
  Min Nonbonded Distance : 2.438

Molprobity Statistics.
  All-atom Clashscore : 4.37
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  5.93 %
    Favored  : 94.07 %
  Rotamer:
    Outliers :  1.44 %
    Allowed  : 18.33 %
    Favored  : 80.22 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole:  1.93 (0.21), residues: 1872
  helix:  2.56 (0.15), residues: 1344
  sheet: -1.50 (0.45), residues: 120
  loop : -2.45 (0.28), residues: 408

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.010   0.001   TRP C 172 
 HIS   0.002   0.001   HIS L  67 
 PHE   0.020   0.001   PHE L 146 
 TYR   0.008   0.001   TYR J 155 
 ARG   0.012   0.000   ARG J  75 

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

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

  3744 Ramachandran restraints generated.
    1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  3744 Ramachandran restraints generated.
    1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Evaluate side-chains
  317 residues out of total 1728 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 13
    poor density    : 304
  time to evaluate  : 1.930 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
REVERT: A  152 TYR cc_start: 0.8173 (t80) cc_final: 0.7955 (t80)
REVERT: K   18 THR cc_start: 0.6678 (m) cc_final: 0.6428 (t)
REVERT: K   23 ILE cc_start: 0.9092 (mp) cc_final: 0.8688 (tp)
REVERT: K   65 TYR cc_start: 0.8696 (t80) cc_final: 0.8368 (t80)
REVERT: L   23 ILE cc_start: 0.9046 (mp) cc_final: 0.8652 (tp)
REVERT: B   23 ILE cc_start: 0.9081 (mp) cc_final: 0.8683 (tp)
REVERT: H   18 THR cc_start: 0.6442 (m) cc_final: 0.6155 (t)
REVERT: H   23 ILE cc_start: 0.9010 (mp) cc_final: 0.8654 (tp)
REVERT: C   18 THR cc_start: 0.6707 (m) cc_final: 0.6380 (t)
REVERT: C   23 ILE cc_start: 0.9145 (mp) cc_final: 0.8615 (tp)
REVERT: C  152 TYR cc_start: 0.8151 (t80) cc_final: 0.7897 (t80)
REVERT: I   18 THR cc_start: 0.6542 (m) cc_final: 0.6256 (t)
REVERT: I   23 ILE cc_start: 0.9129 (mp) cc_final: 0.8685 (tp)
REVERT: D   18 THR cc_start: 0.6926 (m) cc_final: 0.6659 (t)
REVERT: D   23 ILE cc_start: 0.9057 (mp) cc_final: 0.8585 (tp)
REVERT: D   65 TYR cc_start: 0.8763 (t80) cc_final: 0.8294 (t80)
REVERT: J   18 THR cc_start: 0.6774 (m) cc_final: 0.6379 (t)
REVERT: J   23 ILE cc_start: 0.9037 (mp) cc_final: 0.8620 (tp)
REVERT: E   18 THR cc_start: 0.6820 (m) cc_final: 0.6507 (t)
REVERT: E   23 ILE cc_start: 0.9037 (mp) cc_final: 0.8577 (tp)
REVERT: F   18 THR cc_start: 0.6853 (m) cc_final: 0.6536 (t)
REVERT: F   23 ILE cc_start: 0.8796 (pt) cc_final: 0.8571 (tp)
REVERT: G   23 ILE cc_start: 0.9094 (mp) cc_final: 0.8638 (tp)
REVERT: G  146 PHE cc_start: 0.8515 (m-80) cc_final: 0.8278 (m-80)
REVERT: G  152 TYR cc_start: 0.8137 (t80) cc_final: 0.7888 (t80)
  outliers start: 13
  outliers final: 11
  residues processed: 311
  average time/residue: 0.3149
  time to fit residues: 158.2108
Evaluate side-chains
  305 residues out of total 1728 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 11
    poor density    : 294
  time to evaluate  : 1.883 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue   37 VAL
Chi-restraints excluded: chain K residue  167 VAL
Chi-restraints excluded: chain L residue  167 VAL
Chi-restraints excluded: chain B residue  167 VAL
Chi-restraints excluded: chain H residue   60 CYS
Chi-restraints excluded: chain H residue  167 VAL
Chi-restraints excluded: chain C residue   60 CYS
Chi-restraints excluded: chain I residue   37 VAL
Chi-restraints excluded: chain E residue   53 CYS
Chi-restraints excluded: chain G residue   36 LEU
Chi-restraints excluded: chain G residue   37 VAL
Rotamers are restrained with sigma=3.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 192
   random chunks:
   chunk 62 optimal weight:    9.9990
   chunk 167 optimal weight:   10.0000
   chunk 36 optimal weight:    0.8980
   chunk 108 optimal weight:    3.9990
   chunk 45 optimal weight:    2.9990
   chunk 185 optimal weight:    8.9990
   chunk 154 optimal weight:    0.6980
   chunk 86 optimal weight:    7.9990
   chunk 15 optimal weight:    9.9990
   chunk 61 optimal weight:    2.9990
   chunk 97 optimal weight:    7.9990
   overall best weight:    2.3186

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

No N/Q/H corrections needed this macrocycle
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8018
moved from start:          0.6485

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.003   0.030  13356  Z= 0.211
  Angle     :  0.493   4.998  18372  Z= 0.271
  Chirality :  0.042   0.122   2112
  Planarity :  0.004   0.052   2388
  Dihedral  :  3.364  15.003   2016
  Min Nonbonded Distance : 2.419

Molprobity Statistics.
  All-atom Clashscore : 4.19
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  7.85 %
    Favored  : 92.15 %
  Rotamer:
    Outliers :  1.44 %
    Allowed  : 19.22 %
    Favored  : 79.33 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole:  1.99 (0.21), residues: 1872
  helix:  2.70 (0.14), residues: 1344
  sheet: -1.36 (0.47), residues: 120
  loop : -2.87 (0.29), residues: 408

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.007   0.001   TRP J 172 
 HIS   0.002   0.001   HIS J  67 
 PHE   0.022   0.002   PHE E  31 
 TYR   0.009   0.002   TYR H  68 
 ARG   0.012   0.000   ARG J  75 

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

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

  3744 Ramachandran restraints generated.
    1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  3744 Ramachandran restraints generated.
    1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Evaluate side-chains
  305 residues out of total 1728 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 13
    poor density    : 292
  time to evaluate  : 1.828 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
REVERT: A  152 TYR cc_start: 0.8257 (t80) cc_final: 0.8013 (t80)
REVERT: K   18 THR cc_start: 0.6806 (m) cc_final: 0.6549 (t)
REVERT: K   23 ILE cc_start: 0.9109 (mp) cc_final: 0.8747 (tp)
REVERT: K   65 TYR cc_start: 0.8723 (t80) cc_final: 0.8394 (t80)
REVERT: L   23 ILE cc_start: 0.9016 (mp) cc_final: 0.8692 (tp)
REVERT: B   23 ILE cc_start: 0.9089 (mp) cc_final: 0.8694 (tp)
REVERT: H   18 THR cc_start: 0.6440 (m) cc_final: 0.6201 (t)
REVERT: H   23 ILE cc_start: 0.8982 (mp) cc_final: 0.8683 (tp)
REVERT: C   18 THR cc_start: 0.6771 (m) cc_final: 0.6464 (t)
REVERT: C   23 ILE cc_start: 0.9083 (mp) cc_final: 0.8637 (tp)
REVERT: C  146 PHE cc_start: 0.8540 (m-80) cc_final: 0.8331 (m-80)
REVERT: I   18 THR cc_start: 0.6649 (m) cc_final: 0.6358 (t)
REVERT: I   23 ILE cc_start: 0.9124 (mp) cc_final: 0.8724 (tp)
REVERT: I  152 TYR cc_start: 0.8255 (t80) cc_final: 0.8015 (t80)
REVERT: D   23 ILE cc_start: 0.9144 (mp) cc_final: 0.8727 (tp)
REVERT: D   65 TYR cc_start: 0.8788 (t80) cc_final: 0.8307 (t80)
REVERT: J   18 THR cc_start: 0.6898 (m) cc_final: 0.6548 (t)
REVERT: J   23 ILE cc_start: 0.9017 (mp) cc_final: 0.8676 (tp)
REVERT: J  152 TYR cc_start: 0.8251 (t80) cc_final: 0.7990 (t80)
REVERT: J  153 VAL cc_start: 0.9460 (p) cc_final: 0.9238 (m)
REVERT: E   23 ILE cc_start: 0.9121 (mp) cc_final: 0.8714 (tp)
REVERT: E   65 TYR cc_start: 0.8777 (t80) cc_final: 0.8375 (t80)
REVERT: F   18 THR cc_start: 0.6897 (m) cc_final: 0.6593 (t)
REVERT: G   23 ILE cc_start: 0.9143 (mp) cc_final: 0.8761 (tp)
REVERT: G  146 PHE cc_start: 0.8539 (m-80) cc_final: 0.8281 (m-80)
  outliers start: 13
  outliers final: 12
  residues processed: 299
  average time/residue: 0.3384
  time to fit residues: 164.1074
Evaluate side-chains
  298 residues out of total 1728 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 12
    poor density    : 286
  time to evaluate  : 2.045 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue   37 VAL
Chi-restraints excluded: chain K residue  167 VAL
Chi-restraints excluded: chain L residue  167 VAL
Chi-restraints excluded: chain B residue  167 VAL
Chi-restraints excluded: chain H residue   60 CYS
Chi-restraints excluded: chain H residue  167 VAL
Chi-restraints excluded: chain C residue   60 CYS
Chi-restraints excluded: chain C residue   74 ILE
Chi-restraints excluded: chain I residue   37 VAL
Chi-restraints excluded: chain G residue   36 LEU
Chi-restraints excluded: chain G residue   37 VAL
Chi-restraints excluded: chain G residue   53 CYS
Rotamers are restrained with sigma=2.50
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 192
   random chunks:
   chunk 179 optimal weight:    7.9990
   chunk 20 optimal weight:    0.9980
   chunk 105 optimal weight:    6.9990
   chunk 135 optimal weight:    0.9990
   chunk 156 optimal weight:    0.0570
   chunk 103 optimal weight:    3.9990
   chunk 185 optimal weight:    1.9990
   chunk 115 optimal weight:    5.9990
   chunk 112 optimal weight:    8.9990
   chunk 85 optimal weight:    0.9990
   chunk 114 optimal weight:    0.8980
   overall best weight:    0.7902

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

No N/Q/H corrections needed this macrocycle
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7978
moved from start:          0.6594

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.002   0.024  13356  Z= 0.131
  Angle     :  0.448   4.712  18372  Z= 0.241
  Chirality :  0.041   0.136   2112
  Planarity :  0.004   0.042   2388
  Dihedral  :  3.118  13.784   2016
  Min Nonbonded Distance : 2.456

Molprobity Statistics.
  All-atom Clashscore : 4.37
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  4.54 %
    Favored  : 95.46 %
  Rotamer:
    Outliers :  0.78 %
    Allowed  : 19.22 %
    Favored  : 80.00 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole:  2.52 (0.21), residues: 1872
  helix:  3.13 (0.14), residues: 1344
  sheet: -1.07 (0.46), residues: 120
  loop : -2.86 (0.28), residues: 408

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.009   0.001   TRP F 172 
 HIS   0.001   0.000   HIS B  67 
 PHE   0.022   0.001   PHE E  31 
 TYR   0.006   0.001   TYR J 155 
 ARG   0.006   0.000   ARG J  75 

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

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

  3744 Ramachandran restraints generated.
    1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  3744 Ramachandran restraints generated.
    1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Evaluate side-chains
  310 residues out of total 1728 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 7
    poor density    : 303
  time to evaluate  : 1.813 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
REVERT: A  152 TYR cc_start: 0.8196 (t80) cc_final: 0.7954 (t80)
REVERT: K   18 THR cc_start: 0.6514 (m) cc_final: 0.6258 (t)
REVERT: K   23 ILE cc_start: 0.9103 (mp) cc_final: 0.8749 (tp)
REVERT: K   65 TYR cc_start: 0.8668 (t80) cc_final: 0.8468 (t80)
REVERT: L   23 ILE cc_start: 0.8998 (mp) cc_final: 0.8677 (tp)
REVERT: B   23 ILE cc_start: 0.9081 (mp) cc_final: 0.8713 (tp)
REVERT: H   18 THR cc_start: 0.6041 (m) cc_final: 0.5758 (t)
REVERT: H   23 ILE cc_start: 0.8967 (mp) cc_final: 0.8668 (tp)
REVERT: C   18 THR cc_start: 0.6541 (m) cc_final: 0.6246 (t)
REVERT: C   23 ILE cc_start: 0.9129 (mp) cc_final: 0.8729 (tp)
REVERT: C  146 PHE cc_start: 0.8507 (m-80) cc_final: 0.8248 (m-80)
REVERT: I   23 ILE cc_start: 0.9137 (mp) cc_final: 0.8748 (tp)
REVERT: D   23 ILE cc_start: 0.9134 (mp) cc_final: 0.8716 (tp)
REVERT: D   65 TYR cc_start: 0.8752 (t80) cc_final: 0.8262 (t80)
REVERT: J   18 THR cc_start: 0.6684 (m) cc_final: 0.6404 (t)
REVERT: J   23 ILE cc_start: 0.9060 (mp) cc_final: 0.8692 (tp)
REVERT: E   18 THR cc_start: 0.6450 (m) cc_final: 0.6147 (t)
REVERT: E   23 ILE cc_start: 0.9121 (mp) cc_final: 0.8718 (tp)
REVERT: E   65 TYR cc_start: 0.8731 (t80) cc_final: 0.8330 (t80)
REVERT: F   18 THR cc_start: 0.6588 (m) cc_final: 0.6329 (t)
REVERT: G   23 ILE cc_start: 0.9146 (mp) cc_final: 0.8755 (tp)
REVERT: G  146 PHE cc_start: 0.8473 (m-80) cc_final: 0.8191 (m-80)
  outliers start: 7
  outliers final: 7
  residues processed: 309
  average time/residue: 0.3186
  time to fit residues: 159.3563
Evaluate side-chains
  300 residues out of total 1728 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 7
    poor density    : 293
  time to evaluate  : 1.794 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain K residue   37 VAL
Chi-restraints excluded: chain K residue  167 VAL
Chi-restraints excluded: chain L residue  167 VAL
Chi-restraints excluded: chain B residue  167 VAL
Chi-restraints excluded: chain H residue  167 VAL
Chi-restraints excluded: chain C residue   60 CYS
Chi-restraints excluded: chain J residue   60 CYS
Rotamers are restrained with sigma=2.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 192
   random chunks:
   chunk 73 optimal weight:   10.0000
   chunk 110 optimal weight:    5.9990
   chunk 55 optimal weight:    4.9990
   chunk 36 optimal weight:    2.9990
   chunk 35 optimal weight:    1.9990
   chunk 117 optimal weight:    3.9990
   chunk 126 optimal weight:    6.9990
   chunk 91 optimal weight:    5.9990
   chunk 17 optimal weight:    8.9990
   chunk 145 optimal weight:    7.9990
   chunk 168 optimal weight:    4.9990
   overall best weight:    3.7990

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

No N/Q/H corrections needed this macrocycle
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8046
moved from start:          0.6822

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.004   0.030  13356  Z= 0.291
  Angle     :  0.519   5.077  18372  Z= 0.290
  Chirality :  0.043   0.115   2112
  Planarity :  0.005   0.038   2388
  Dihedral  :  3.391  15.292   2016
  Min Nonbonded Distance : 2.394

Molprobity Statistics.
  All-atom Clashscore : 3.80
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  9.29 %
    Favored  : 90.71 %
  Rotamer:
    Outliers :  2.22 %
    Allowed  : 18.22 %
    Favored  : 79.56 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole:  2.18 (0.21), residues: 1872
  helix:  2.81 (0.14), residues: 1344
  sheet: -0.96 (0.47), residues: 120
  loop : -2.79 (0.29), residues: 408

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.011   0.001   TRP A  24 
 HIS   0.002   0.001   HIS K  67 
 PHE   0.024   0.002   PHE J 146 
 TYR   0.012   0.002   TYR B  68 
 ARG   0.007   0.000   ARG J  75 

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

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

  3744 Ramachandran restraints generated.
    1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  3744 Ramachandran restraints generated.
    1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Evaluate side-chains
  313 residues out of total 1728 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 20
    poor density    : 293
  time to evaluate  : 1.807 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
REVERT: K   23 ILE cc_start: 0.9083 (mp) cc_final: 0.8733 (tp)
REVERT: K   65 TYR cc_start: 0.8760 (t80) cc_final: 0.8319 (t80)
REVERT: L   23 ILE cc_start: 0.9036 (mp) cc_final: 0.8754 (tp)
REVERT: B   23 ILE cc_start: 0.9101 (mp) cc_final: 0.8733 (tp)
REVERT: H   18 THR cc_start: 0.6554 (m) cc_final: 0.6309 (t)
REVERT: H   23 ILE cc_start: 0.9032 (mp) cc_final: 0.8775 (tp)
REVERT: C   23 ILE cc_start: 0.9149 (mp) cc_final: 0.8797 (tp)
REVERT: C  146 PHE cc_start: 0.8545 (m-80) cc_final: 0.8283 (m-80)
REVERT: I   23 ILE cc_start: 0.9138 (mp) cc_final: 0.8809 (tp)
REVERT: D   23 ILE cc_start: 0.9160 (mp) cc_final: 0.8790 (tp)
REVERT: D   65 TYR cc_start: 0.8824 (t80) cc_final: 0.8375 (t80)
REVERT: J   18 THR cc_start: 0.6887 (m) cc_final: 0.6575 (t)
REVERT: J   23 ILE cc_start: 0.9031 (mp) cc_final: 0.8739 (tp)
REVERT: J  152 TYR cc_start: 0.8217 (t80) cc_final: 0.8009 (t80)
REVERT: E   23 ILE cc_start: 0.9149 (mp) cc_final: 0.8794 (tp)
REVERT: E   65 TYR cc_start: 0.8803 (t80) cc_final: 0.8359 (t80)
REVERT: E  146 PHE cc_start: 0.8468 (m-80) cc_final: 0.8160 (m-80)
REVERT: F   18 THR cc_start: 0.6932 (m) cc_final: 0.6653 (t)
REVERT: G   23 ILE cc_start: 0.9210 (mp) cc_final: 0.8910 (tp)
REVERT: G  146 PHE cc_start: 0.8508 (m-80) cc_final: 0.8248 (m-80)
  outliers start: 20
  outliers final: 18
  residues processed: 302
  average time/residue: 0.3327
  time to fit residues: 160.3374
Evaluate side-chains
  308 residues out of total 1728 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 18
    poor density    : 290
  time to evaluate  : 1.794 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue   37 VAL
Chi-restraints excluded: chain K residue   37 VAL
Chi-restraints excluded: chain K residue   74 ILE
Chi-restraints excluded: chain K residue  167 VAL
Chi-restraints excluded: chain L residue  167 VAL
Chi-restraints excluded: chain B residue   37 VAL
Chi-restraints excluded: chain B residue  167 VAL
Chi-restraints excluded: chain H residue   60 CYS
Chi-restraints excluded: chain H residue  167 VAL
Chi-restraints excluded: chain C residue   37 VAL
Chi-restraints excluded: chain C residue   60 CYS
Chi-restraints excluded: chain I residue   37 VAL
Chi-restraints excluded: chain D residue   60 CYS
Chi-restraints excluded: chain J residue   37 VAL
Chi-restraints excluded: chain J residue   60 CYS
Chi-restraints excluded: chain J residue   74 ILE
Chi-restraints excluded: chain F residue   74 ILE
Chi-restraints excluded: chain G residue   37 VAL
Rotamers are restrained with sigma=1.50
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 192
   random chunks:
   chunk 177 optimal weight:    1.9990
   chunk 161 optimal weight:    7.9990
   chunk 172 optimal weight:    3.9990
   chunk 103 optimal weight:    0.2980
   chunk 75 optimal weight:    4.9990
   chunk 135 optimal weight:    5.9990
   chunk 52 optimal weight:    4.9990
   chunk 155 optimal weight:    2.9990
   chunk 163 optimal weight:    0.9990
   chunk 171 optimal weight:    5.9990
   chunk 113 optimal weight:    8.9990
   overall best weight:    2.0588

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

No N/Q/H corrections needed this macrocycle
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8021
moved from start:          0.6862

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.003   0.027  13356  Z= 0.189
  Angle     :  0.473   4.859  18372  Z= 0.259
  Chirality :  0.041   0.129   2112
  Planarity :  0.004   0.036   2388
  Dihedral  :  3.244  14.596   2016
  Min Nonbonded Distance : 2.428

Molprobity Statistics.
  All-atom Clashscore : 4.28
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  6.89 %
    Favored  : 93.11 %
  Rotamer:
    Outliers :  1.33 %
    Allowed  : 19.22 %
    Favored  : 79.44 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole:  2.49 (0.21), residues: 1872
  helix:  3.07 (0.14), residues: 1344
  sheet: -0.76 (0.47), residues: 120
  loop : -2.83 (0.29), residues: 408

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.010   0.001   TRP A  24 
 HIS   0.002   0.001   HIS K  67 
 PHE   0.023   0.001   PHE E  31 
 TYR   0.007   0.001   TYR B  68 
 ARG   0.005   0.000   ARG J  75 

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

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

  3744 Ramachandran restraints generated.
    1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  3744 Ramachandran restraints generated.
    1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Evaluate side-chains
  301 residues out of total 1728 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 12
    poor density    : 289
  time to evaluate  : 1.856 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
REVERT: A  154 PHE cc_start: 0.8999 (t80) cc_final: 0.8757 (t80)
REVERT: K   23 ILE cc_start: 0.9089 (mp) cc_final: 0.8722 (tp)
REVERT: K   65 TYR cc_start: 0.8736 (t80) cc_final: 0.8358 (t80)
REVERT: L   23 ILE cc_start: 0.9029 (mp) cc_final: 0.8749 (tp)
REVERT: B   23 ILE cc_start: 0.9079 (mp) cc_final: 0.8702 (tp)
REVERT: H   18 THR cc_start: 0.6418 (m) cc_final: 0.6099 (t)
REVERT: H   23 ILE cc_start: 0.9024 (mp) cc_final: 0.8767 (tp)
REVERT: C   23 ILE cc_start: 0.9149 (mp) cc_final: 0.8800 (tp)
REVERT: I   23 ILE cc_start: 0.9141 (mp) cc_final: 0.8810 (tp)
REVERT: D   23 ILE cc_start: 0.9166 (mp) cc_final: 0.8784 (tp)
REVERT: D   65 TYR cc_start: 0.8788 (t80) cc_final: 0.8310 (t80)
REVERT: J   23 ILE cc_start: 0.9031 (mp) cc_final: 0.8739 (tp)
REVERT: E   23 ILE cc_start: 0.9147 (mp) cc_final: 0.8793 (tp)
REVERT: E   65 TYR cc_start: 0.8761 (t80) cc_final: 0.8330 (t80)
REVERT: E  146 PHE cc_start: 0.8425 (m-80) cc_final: 0.8128 (m-80)
REVERT: F   18 THR cc_start: 0.6691 (m) cc_final: 0.6419 (t)
REVERT: G   23 ILE cc_start: 0.9201 (mp) cc_final: 0.8905 (tp)
  outliers start: 12
  outliers final: 11
  residues processed: 297
  average time/residue: 0.3245
  time to fit residues: 155.2090
Evaluate side-chains
  294 residues out of total 1728 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 11
    poor density    : 283
  time to evaluate  : 1.853 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue   37 VAL
Chi-restraints excluded: chain K residue   37 VAL
Chi-restraints excluded: chain K residue  167 VAL
Chi-restraints excluded: chain L residue  167 VAL
Chi-restraints excluded: chain B residue   37 VAL
Chi-restraints excluded: chain H residue   60 CYS
Chi-restraints excluded: chain H residue  167 VAL
Chi-restraints excluded: chain C residue   60 CYS
Chi-restraints excluded: chain D residue   60 CYS
Chi-restraints excluded: chain J residue   60 CYS
Chi-restraints excluded: chain G residue   37 VAL
Rotamers are restrained with sigma=1.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 192
   random chunks:
   chunk 182 optimal weight:    9.9990
   chunk 111 optimal weight:    5.9990
   chunk 86 optimal weight:    4.9990
   chunk 126 optimal weight:    3.9990
   chunk 191 optimal weight:    5.9990
   chunk 176 optimal weight:    3.9990
   chunk 152 optimal weight:    6.9990
   chunk 15 optimal weight:   20.0000
   chunk 117 optimal weight:    0.7980
   chunk 93 optimal weight:    4.9990
   chunk 120 optimal weight:    6.9990
   overall best weight:    3.7588

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

No N/Q/H corrections needed this macrocycle
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8057
moved from start:          0.7003

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.004   0.032  13356  Z= 0.299
  Angle     :  0.519   5.193  18372  Z= 0.291
  Chirality :  0.043   0.118   2112
  Planarity :  0.004   0.038   2388
  Dihedral  :  3.436  15.237   2016
  Min Nonbonded Distance : 2.402

Molprobity Statistics.
  All-atom Clashscore : 4.24
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  9.67 %
    Favored  : 90.33 %
  Rotamer:
    Outliers :  1.56 %
    Allowed  : 19.11 %
    Favored  : 79.33 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole:  2.17 (0.21), residues: 1872
  helix:  2.81 (0.14), residues: 1344
  sheet: -0.74 (0.48), residues: 120
  loop : -2.90 (0.29), residues: 408

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.010   0.001   TRP A  24 
 HIS   0.002   0.001   HIS K  67 
 PHE   0.019   0.002   PHE G 154 
 TYR   0.011   0.002   TYR K  68 
 ARG   0.006   0.000   ARG J  75 

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

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

  3744 Ramachandran restraints generated.
    1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  3744 Ramachandran restraints generated.
    1872 Oldfield, 0 Emsley, 1872 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Residue SER   17 is missing expected H atoms. Skipping.
Residue LYS   22 is missing expected H atoms. Skipping.
Residue THR   26 is missing expected H atoms. Skipping.
Residue VAL   27 is missing expected H atoms. Skipping.
Residue LEU   28 is missing expected H atoms. Skipping.
Residue ILE   30 is missing expected H atoms. Skipping.
Residue ILE   33 is missing expected H atoms. Skipping.
Residue MET   34 is missing expected H atoms. Skipping.
Residue ALA   39 is missing expected H atoms. Skipping.
Residue ALA   40 is missing expected H atoms. Skipping.
Residue LYS   41 is missing expected H atoms. Skipping.
Residue ALA   49 is missing expected H atoms. Skipping.
Residue VAL   52 is missing expected H atoms. Skipping.
Residue LEU   76 is missing expected H atoms. Skipping.
Residue ALA   78 is missing expected H atoms. Skipping.
Residue LEU   79 is missing expected H atoms. Skipping.
Residue LEU   81 is missing expected H atoms. Skipping.
Residue VAL   84 is missing expected H atoms. Skipping.
Residue THR   86 is missing expected H atoms. Skipping.
Residue ALA   88 is missing expected H atoms. Skipping.
Residue LEU   89 is missing expected H atoms. Skipping.
Residue LEU   90 is missing expected H atoms. Skipping.
Residue VAL   91 is missing expected H atoms. Skipping.
Residue ALA   92 is missing expected H atoms. Skipping.
Residue MET   93 is missing expected H atoms. Skipping.
Residue VAL   95 is missing expected H atoms. Skipping.
Residue THR  135 is missing expected H atoms. Skipping.
Residue TYR  136 is missing expected H atoms. Skipping.
Residue THR  137 is missing expected H atoms. Skipping.
Residue SER  138 is missing expected H atoms. Skipping.
Residue ILE  140 is missing expected H atoms. Skipping.
Residue VAL  144 is missing expected H atoms. Skipping.
Residue ILE  145 is missing expected H atoms. Skipping.
Residue ALA  148 is missing expected H atoms. Skipping.
Residue ALA  149 is missing expected H atoms. Skipping.
Residue MET  151 is missing expected H atoms. Skipping.
Residue VAL  156 is missing expected H atoms. Skipping.
Residue MET  157 is missing expected H atoms. Skipping.
Residue SER  162 is missing expected H atoms. Skipping.
Residue MET  163 is missing expected H atoms. Skipping.
Residue ALA  171 is missing expected H atoms. Skipping.
Residue THR  177 is missing expected H atoms. Skipping.
Residue VAL  182 is missing expected H atoms. Skipping.
Residue SER  183 is missing expected H atoms. Skipping.
Residue LYS  188 is missing expected H atoms. Skipping.
Residue THR  189 is missing expected H atoms. Skipping.
Residue THR  192 is missing expected H atoms. Skipping.
Residue VAL  193 is missing expected H atoms. Skipping.
Residue MET  195 is missing expected H atoms. Skipping.
Residue ILE  196 is missing expected H atoms. Skipping.
Residue ALA  197 is missing expected H atoms. Skipping.
Residue VAL  198 is missing expected H atoms. Skipping.
Residue SER  199 is missing expected H atoms. Skipping.
Residue ILE  201 is missing expected H atoms. Skipping.
Residue ILE  203 is missing expected H atoms. Skipping.
Residue LEU  204 is missing expected H atoms. Skipping.
Residue LEU  205 is missing expected H atoms. Skipping.
Residue VAL  207 is missing expected H atoms. Skipping.
Residue THR  208 is missing expected H atoms. Skipping.
Residue LEU  210 is missing expected H atoms. Skipping.
Residue SER  211 is missing expected H atoms. Skipping.
Residue TYR  212 is missing expected H atoms. Skipping.
Evaluate side-chains
  298 residues out of total 1728 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 14
    poor density    : 284
  time to evaluate  : 2.010 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
REVERT: K   23 ILE cc_start: 0.9124 (mp) cc_final: 0.8777 (tp)
REVERT: K   65 TYR cc_start: 0.8777 (t80) cc_final: 0.8267 (t80)
REVERT: L   23 ILE cc_start: 0.9083 (mp) cc_final: 0.8823 (tp)
REVERT: B   23 ILE cc_start: 0.9105 (mp) cc_final: 0.8740 (tp)
REVERT: H   23 ILE cc_start: 0.9068 (mp) cc_final: 0.8830 (tp)
REVERT: C   23 ILE cc_start: 0.9222 (mp) cc_final: 0.8937 (tp)
REVERT: I   23 ILE cc_start: 0.9188 (mp) cc_final: 0.8916 (tp)
REVERT: D   23 ILE cc_start: 0.9132 (mp) cc_final: 0.8738 (tp)
REVERT: D   65 TYR cc_start: 0.8825 (t80) cc_final: 0.8300 (t80)
REVERT: J   23 ILE cc_start: 0.9021 (mp) cc_final: 0.8771 (tp)
REVERT: E   23 ILE cc_start: 0.9120 (mp) cc_final: 0.8747 (tp)
REVERT: E   65 TYR cc_start: 0.8806 (t80) cc_final: 0.8391 (t80)
REVERT: E  146 PHE cc_start: 0.8497 (m-80) cc_final: 0.8187 (m-80)
REVERT: G   23 ILE cc_start: 0.9214 (mp) cc_final: 0.8951 (tp)
REVERT: G  146 PHE cc_start: 0.8528 (m-80) cc_final: 0.8243 (m-80)
  outliers start: 14
  outliers final: 14
  residues processed: 291
  average time/residue: 0.3276
  time to fit residues: 152.2830
Evaluate side-chains
  297 residues out of total 1728 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 14
    poor density    : 283
  time to evaluate  : 1.852 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue   37 VAL
Chi-restraints excluded: chain K residue   37 VAL
Chi-restraints excluded: chain K residue  167 VAL
Chi-restraints excluded: chain L residue   36 LEU
Chi-restraints excluded: chain L residue  167 VAL
Chi-restraints excluded: chain B residue   37 VAL
Chi-restraints excluded: chain H residue   60 CYS
Chi-restraints excluded: chain H residue  167 VAL
Chi-restraints excluded: chain C residue   37 VAL
Chi-restraints excluded: chain C residue   60 CYS
Chi-restraints excluded: chain D residue   60 CYS
Chi-restraints excluded: chain J residue   37 VAL
Chi-restraints excluded: chain J residue   60 CYS
Chi-restraints excluded: chain G residue   37 VAL
Rotamers are restrained with sigma=1.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 192
   random chunks:
   chunk 162 optimal weight:    0.0670
   chunk 46 optimal weight:    3.9990
   chunk 140 optimal weight:    1.9990
   chunk 22 optimal weight:    4.9990
   chunk 42 optimal weight:    5.9990
   chunk 152 optimal weight:    7.9990
   chunk 63 optimal weight:    0.9990
   chunk 156 optimal weight:    2.9990
   chunk 19 optimal weight:    4.9990
   chunk 28 optimal weight:    0.6980
   chunk 133 optimal weight:    0.8980
   overall best weight:    0.9322

-------------------------------------------------------------------------------
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 = 0.3485 r_free = 0.3485 target = 0.105057 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 39)----------------|
| r_work = 0.3129 r_free = 0.3129 target = 0.084805 restraints weight = 86834.598|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 2; iterations = 34)----------------|
| r_work = 0.3172 r_free = 0.3172 target = 0.087219 restraints weight = 40478.097|
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 3; iterations = 50)----------------|
| r_work = 0.3195 r_free = 0.3195 target = 0.088541 restraints weight = 26711.775|
|-----------------------------------------------------------------------------|
r_work (final): 0.3189
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8097
moved from start:          0.7063

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.002   0.025  13356  Z= 0.138
  Angle     :  0.452   4.751  18372  Z= 0.245
  Chirality :  0.041   0.134   2112
  Planarity :  0.004   0.040   2388
  Dihedral  :  3.131  14.304   2016
  Min Nonbonded Distance : 2.457

Molprobity Statistics.
  All-atom Clashscore : 4.37
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  5.61 %
    Favored  : 94.39 %
  Rotamer:
    Outliers :  0.67 %
    Allowed  : 20.11 %
    Favored  : 79.22 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole:  2.72 (0.21), residues: 1872
  helix:  3.27 (0.14), residues: 1344
  sheet: -0.48 (0.46), residues: 120
  loop : -2.92 (0.28), residues: 408

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.012   0.001   TRP F 172 
 HIS   0.001   0.000   HIS K  67 
 PHE   0.027   0.002   PHE I 146 
 TYR   0.007   0.001   TYR L 155 
 ARG   0.003   0.000   ARG J  75 
Origin is already at (0, 0, 0), no shifts will be applied

===============================================================================
Job complete
usr+sys time: 4193.38 seconds
wall clock time: 74 minutes 1.93 seconds (4441.93 seconds total)