Starting phenix.real_space_refine
on Tue Mar 26 16:40:25 2024 by dcliebschner
===============================================================================

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

  Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6wde_21633/03_2024/6wde_21633.pdb
  Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6wde_21633/03_2024/6wde_21633.map

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

  Adding command-line PHIL:
  -------------------------
    refinement.macro_cycles=10
    scattering_table=electron
    resolution=3.0
    write_initial_geo_file=False

Final processed PHIL parameters:
-------------------------------------------------------------------------------
  data_manager {
    real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6wde_21633/03_2024/6wde_21633.map"
    default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6wde_21633/03_2024/6wde_21633.map"
    model {
      file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6wde_21633/03_2024/6wde_21633.pdb"
    }
    default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6wde_21633/03_2024/6wde_21633.pdb"
  }
  resolution = 3.0
  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=   0.118 sd=   1.163
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
     P    4803      5.49       5
     S     154      5.16       5
     C   75485      2.51       5
     N   27960      2.21       5
     O   41818      1.98       5
    sf(0) = scattering factor at diffraction angle 0.
Process input model

  Symmetric amino acids flipped
    Residue "b ASP   71": "OD1" <-> "OD2"
    Residue "b ASP  263": "OD1" <-> "OD2"
    Residue "c ARG   13": "NH1" <-> "NH2"
    Residue "c ARG   33": "NH1" <-> "NH2"
    Residue "c ARG   59": "NH1" <-> "NH2"
    Residue "c ARG   77": "NH1" <-> "NH2"
    Residue "c ARG   83": "NH1" <-> "NH2"
    Residue "c ARG  169": "NH1" <-> "NH2"
    Residue "c ASP  176": "OD1" <-> "OD2"
    Residue "c ARG  184": "NH1" <-> "NH2"
    Residue "d ARG   21": "NH1" <-> "NH2"
    Residue "d ARG   44": "NH1" <-> "NH2"
    Residue "d ARG   49": "NH1" <-> "NH2"
    Residue "d ARG   61": "NH1" <-> "NH2"
    Residue "d ARG   88": "NH1" <-> "NH2"
    Residue "d ARG  102": "NH1" <-> "NH2"
    Residue "d ARG  162": "NH1" <-> "NH2"
    Residue "d ARG  170": "NH1" <-> "NH2"
    Residue "e ASP   50": "OD1" <-> "OD2"
    Residue "e ARG   70": "NH1" <-> "NH2"
    Residue "e ARG   79": "NH1" <-> "NH2"
    Residue "e ARG   91": "NH1" <-> "NH2"
    Residue "e ARG  101": "NH1" <-> "NH2"
    Residue "e ARG  109": "NH1" <-> "NH2"
    Residue "e ARG  111": "NH1" <-> "NH2"
    Residue "e ARG  114": "NH1" <-> "NH2"
    Residue "e ARG  132": "NH1" <-> "NH2"
    Residue "f ARG    2": "NH1" <-> "NH2"
    Residue "f GLU  123": "OE1" <-> "OE2"
    Residue "f ASP  136": "OD1" <-> "OD2"
    Residue "f ARG  152": "NH1" <-> "NH2"
    Residue "f ARG  162": "NH1" <-> "NH2"
    Residue "f ARG  169": "NH1" <-> "NH2"
    Residue "g ASP   98": "OD1" <-> "OD2"
    Residue "h GLU   17": "OE1" <-> "OE2"
    Residue "h TYR   84": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "h PHE  106": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "h GLU  114": "OE1" <-> "OE2"
    Residue "i GLU   36": "OE1" <-> "OE2"
    Residue "i ASP  120": "OD1" <-> "OD2"
    Residue "j ARG   13": "NH1" <-> "NH2"
    Residue "j ASP   14": "OD1" <-> "OD2"
    Residue "j ASP   19": "OD1" <-> "OD2"
    Residue "j ARG   37": "NH1" <-> "NH2"
    Residue "j GLU   43": "OE1" <-> "OE2"
    Residue "j ASP   49": "OD1" <-> "OD2"
    Residue "j ARG   96": "NH1" <-> "NH2"
    Residue "j ARG  120": "NH1" <-> "NH2"
    Residue "k GLU    4": "OE1" <-> "OE2"
    Residue "k GLU   45": "OE1" <-> "OE2"
    Residue "k GLU  106": "OE1" <-> "OE2"
    Residue "k GLU  110": "OE1" <-> "OE2"
    Residue "l ARG   21": "NH1" <-> "NH2"
    Residue "l ARG   33": "NH1" <-> "NH2"
    Residue "l ARG   41": "NH1" <-> "NH2"
    Residue "l ARG   47": "NH1" <-> "NH2"
    Residue "l ARG   60": "NH1" <-> "NH2"
    Residue "l ARG   78": "NH1" <-> "NH2"
    Residue "l ARG  126": "NH1" <-> "NH2"
    Residue "m ARG   10": "NH1" <-> "NH2"
    Residue "m ARG   18": "NH1" <-> "NH2"
    Residue "m ARG   40": "NH1" <-> "NH2"
    Residue "m ARG   44": "NH1" <-> "NH2"
    Residue "m ARG   50": "NH1" <-> "NH2"
    Residue "m ARG   55": "NH1" <-> "NH2"
    Residue "m ARG   59": "NH1" <-> "NH2"
    Residue "m ASP  106": "OD1" <-> "OD2"
    Residue "m ARG  114": "NH1" <-> "NH2"
    Residue "m GLU  115": "OE1" <-> "OE2"
    Residue "n ARG    8": "NH1" <-> "NH2"
    Residue "n ARG   12": "NH1" <-> "NH2"
    Residue "n ARG   17": "NH1" <-> "NH2"
    Residue "n ARG   22": "NH1" <-> "NH2"
    Residue "n ARG   46": "NH1" <-> "NH2"
    Residue "n ARG   63": "NH1" <-> "NH2"
    Residue "n ARG   64": "NH1" <-> "NH2"
    Residue "n ARG   69": "NH1" <-> "NH2"
    Residue "n ARG   71": "NH1" <-> "NH2"
    Residue "n ARG   96": "NH1" <-> "NH2"
    Residue "n ARG  118": "NH1" <-> "NH2"
    Residue "o ARG   10": "NH1" <-> "NH2"
    Residue "o ARG   16": "NH1" <-> "NH2"
    Residue "o ARG   25": "NH1" <-> "NH2"
    Residue "o TYR   36": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "o ARG   81": "NH1" <-> "NH2"
    Residue "o ARG   94": "NH1" <-> "NH2"
    Residue "o ARG  102": "NH1" <-> "NH2"
    Residue "o ARG  111": "NH1" <-> "NH2"
    Residue "o PHE  117": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "p ASP   15": "OD1" <-> "OD2"
    Residue "p ARG   20": "NH1" <-> "NH2"
    Residue "p ASP   23": "OD1" <-> "OD2"
    Residue "p ARG   38": "NH1" <-> "NH2"
    Residue "p ARG   61": "NH1" <-> "NH2"
    Residue "p ARG   88": "NH1" <-> "NH2"
    Residue "p ARG  100": "NH1" <-> "NH2"
    Residue "p ARG  108": "NH1" <-> "NH2"
    Residue "q ARG    2": "NH1" <-> "NH2"
    Residue "q ARG    5": "NH1" <-> "NH2"
    Residue "q ARG   12": "NH1" <-> "NH2"
    Residue "q ARG   32": "NH1" <-> "NH2"
    Residue "q ARG   47": "NH1" <-> "NH2"
    Residue "q ARG   69": "NH1" <-> "NH2"
    Residue "q ASP  101": "OD1" <-> "OD2"
    Residue "r ARG   21": "NH1" <-> "NH2"
    Residue "r ASP   26": "OD1" <-> "OD2"
    Residue "r GLU   46": "OE1" <-> "OE2"
    Residue "r ARG   68": "NH1" <-> "NH2"
    Residue "r ARG   78": "NH1" <-> "NH2"
    Residue "r ARG   79": "NH1" <-> "NH2"
    Residue "r ARG   84": "NH1" <-> "NH2"
    Residue "s ASP   65": "OD1" <-> "OD2"
    Residue "s ASP   68": "OD1" <-> "OD2"
    Residue "s ARG   84": "NH1" <-> "NH2"
    Residue "s ARG   88": "NH1" <-> "NH2"
    Residue "s ARG   95": "NH1" <-> "NH2"
    Residue "s ARG  110": "NH1" <-> "NH2"
    Residue "t GLU   56": "OE1" <-> "OE2"
    Residue "t ARG   73": "NH1" <-> "NH2"
    Residue "u ARG    5": "NH1" <-> "NH2"
    Residue "u ARG    6": "NH1" <-> "NH2"
    Residue "u ASP   80": "OD1" <-> "OD2"
    Residue "u ARG   81": "NH1" <-> "NH2"
    Residue "u ARG   85": "NH1" <-> "NH2"
    Residue "u ARG   93": "NH1" <-> "NH2"
    Residue "v ASP   43": "OD1" <-> "OD2"
    Residue "w ASP   11": "OD1" <-> "OD2"
    Residue "w PHE   65": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "w PHE   75": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "x ASP   59": "OD1" <-> "OD2"
    Residue "x GLU   75": "OE1" <-> "OE2"
    Residue "y ARG   29": "NH1" <-> "NH2"
    Residue "y ARG   47": "NH1" <-> "NH2"
    Residue "y ARG   52": "NH1" <-> "NH2"
    Residue "z ARG   10": "NH1" <-> "NH2"
    Residue "z ARG   29": "NH1" <-> "NH2"
    Residue "z ARG   44": "NH1" <-> "NH2"
    Residue "B ARG    9": "NH1" <-> "NH2"
    Residue "B ARG   15": "NH1" <-> "NH2"
    Residue "B ARG   39": "NH1" <-> "NH2"
    Residue "B ARG   51": "NH1" <-> "NH2"
    Residue "C GLU    6": "OE1" <-> "OE2"
    Residue "C PHE   19": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "C ARG   43": "NH1" <-> "NH2"
    Residue "C TYR   48": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "D ARG    3": "NH1" <-> "NH2"
    Residue "D ARG   12": "NH1" <-> "NH2"
    Residue "D ARG   14": "NH1" <-> "NH2"
    Residue "D ARG   19": "NH1" <-> "NH2"
    Residue "D ARG   21": "NH1" <-> "NH2"
    Residue "D ARG   33": "NH1" <-> "NH2"
    Residue "D ARG   41": "NH1" <-> "NH2"
    Residue "E ARG   12": "NH1" <-> "NH2"
    Residue "E ARG   29": "NH1" <-> "NH2"
    Residue "E ARG   39": "NH1" <-> "NH2"
    Residue "E ARG   41": "NH1" <-> "NH2"
    Residue "F ARG   12": "NH1" <-> "NH2"
    Residue "F ARG   24": "NH1" <-> "NH2"
    Residue "G ASP    7": "OD1" <-> "OD2"
    Residue "G GLU   43": "OE1" <-> "OE2"
    Residue "G GLU   77": "OE1" <-> "OE2"
    Residue "G ASP   87": "OD1" <-> "OD2"
    Residue "G PHE   90": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "G ASP  122": "OD1" <-> "OD2"
    Residue "G ASP  164": "OD1" <-> "OD2"
    Residue "G GLU  222": "OE1" <-> "OE2"
    Residue "G ARG  224": "NH1" <-> "NH2"
    Residue "H GLU   27": "OE1" <-> "OE2"
    Residue "H ASP   33": "OD1" <-> "OD2"
    Residue "H ARG  106": "NH1" <-> "NH2"
    Residue "H ARG  130": "NH1" <-> "NH2"
    Residue "H GLU  160": "OE1" <-> "OE2"
    Residue "H GLU  165": "OE1" <-> "OE2"
    Residue "I ASP   17": "OD1" <-> "OD2"
    Residue "I GLU  165": "OE1" <-> "OE2"
    Residue "I ASP  189": "OD1" <-> "OD2"
    Residue "J ARG  156": "NH1" <-> "NH2"
    Residue "K ASP   72": "OD1" <-> "OD2"
    Residue "K GLU   73": "OE1" <-> "OE2"
    Residue "L PHE   17": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "L ASP  125": "OD1" <-> "OD2"
    Residue "L ASP  139": "OD1" <-> "OD2"
    Residue "M GLU   42": "OE1" <-> "OE2"
    Residue "M GLU   51": "OE1" <-> "OE2"
    Residue "M ASP   89": "OD1" <-> "OD2"
    Residue "N ASP   55": "OD1" <-> "OD2"
    Residue "N PHE  102": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "N ASP  106": "OD1" <-> "OD2"
    Residue "N ARG  123": "NH1" <-> "NH2"
    Residue "O GLU   66": "OE1" <-> "OE2"
    Residue "O ASP   75": "OD1" <-> "OD2"
    Residue "O ASP   85": "OD1" <-> "OD2"
    Residue "O ASP   91": "OD1" <-> "OD2"
    Residue "Q ARG   55": "NH1" <-> "NH2"
    Residue "T ASP   73": "OD1" <-> "OD2"
    Residue "U ARG   28": "NH1" <-> "NH2"
    Residue "U ASP   53": "OD1" <-> "OD2"
    Residue "U ASP   55": "OD1" <-> "OD2"
    Residue "U ASP   69": "OD1" <-> "OD2"
    Residue "V GLU   25": "OE1" <-> "OE2"
    Residue "V PHE   36": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "W ARG   11": "NH1" <-> "NH2"
    Residue "W ASP   24": "OD1" <-> "OD2"
    Residue "X GLU   19": "OE1" <-> "OE2"
    Residue "Y ASP   42": "OD1" <-> "OD2"
    Residue "Y GLU   52": "OE1" <-> "OE2"
    Residue "Z PHE   18": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "Z TYR   37": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "Z ARG   66": "NH1" <-> "NH2"
    Residue "a ARG    7": "NH1" <-> "NH2"
    Residue "a ARG   12": "NH1" <-> "NH2"
    Residue "a ASP   22": "OD1" <-> "OD2"
    Residue "a GLU   32": "OE1" <-> "OE2"
    Residue "a ASP   51": "OD1" <-> "OD2"
    Residue "a ARG  162": "NH1" <-> "NH2"
    Residue "a TYR  163": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "a ASP  179": "OD1" <-> "OD2"
    Residue "7 PHE  101": "CD1" <-> "CD2" "CE1" <-> "CE2"
  Time to flip residues: 0.13s

  Monomer Library directory:
    "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/chem_data/mon_lib"
  Total number of atoms: 150220
  Number of models: 1
  Model: ""
    Number of chains: 58
    Chain: "b"
      Number of atoms: 2083
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 271, 2083
          Classifications: {'peptide': 271}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 17, 'TRANS': 253}
    Chain: "c"
      Number of atoms: 1565
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 209, 1565
          Classifications: {'peptide': 209}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 6, 'TRANS': 202}
    Chain: "d"
      Number of atoms: 1552
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1552
          Classifications: {'peptide': 201}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 5, 'TRANS': 195}
    Chain: "e"
      Number of atoms: 1411
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 177, 1411
          Classifications: {'peptide': 177}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 6, 'TRANS': 170}
    Chain: "f"
      Number of atoms: 1323
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 176, 1323
          Classifications: {'peptide': 176}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 8, 'TRANS': 167}
    Chain: "g"
      Number of atoms: 1111
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 149, 1111
          Classifications: {'peptide': 149}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 3, 'TRANS': 145}
    Chain: "h"
      Number of atoms: 989
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 131, 989
          Classifications: {'peptide': 131}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 5, 'TRANS': 125}
    Chain: "i"
      Number of atoms: 1032
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 141, 1032
          Classifications: {'peptide': 141}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 9, 'TRANS': 131}
    Chain: "j"
      Number of atoms: 1129
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 142, 1129
          Classifications: {'peptide': 142}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 6, 'TRANS': 135}
    Chain: "k"
      Number of atoms: 939
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 122, 939
          Classifications: {'peptide': 122}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 5, 'TRANS': 116}
    Chain: "l"
      Number of atoms: 1045
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 143, 1045
          Classifications: {'peptide': 143}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 4, 'TRANS': 138}
    Chain: "m"
      Number of atoms: 1074
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 136, 1074
          Classifications: {'peptide': 136}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 7, 'TRANS': 128}
    Chain: "n"
      Number of atoms: 961
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 120, 961
          Classifications: {'peptide': 120}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 4, 'TRANS': 115}
    Chain: "o"
      Number of atoms: 892
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 116, 892
          Classifications: {'peptide': 116}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 2, 'TRANS': 113}
    Chain: "p"
      Number of atoms: 917
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 114, 917
          Classifications: {'peptide': 114}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 3, 'TRANS': 110}
    Chain: "q"
      Number of atoms: 947
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 117, 947
          Classifications: {'peptide': 117}
          Modifications used: {'COO': 1}
          Link IDs: {'TRANS': 116}
    Chain: "r"
      Number of atoms: 816
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 103, 816
          Classifications: {'peptide': 103}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 1, 'TRANS': 101}
    Chain: "s"
      Number of atoms: 857
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 110, 857
          Classifications: {'peptide': 110}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 2, 'TRANS': 107}
    Chain: "t"
      Number of atoms: 739
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 93, 739
          Classifications: {'peptide': 93}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 1, 'TRANS': 91}
    Chain: "u"
      Number of atoms: 780
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 102, 780
          Classifications: {'peptide': 102}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 3, 'TRANS': 98}
    Chain: "v"
      Number of atoms: 753
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 94, 753
          Classifications: {'peptide': 94}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 4, 'TRANS': 89}
    Chain: "w"
      Number of atoms: 575
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 75, 575
          Classifications: {'peptide': 75}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 1, 'TRANS': 73}
    Chain: "x"
      Number of atoms: 625
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 77, 625
          Classifications: {'peptide': 77}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 2, 'TRANS': 74}
    Chain: "y"
      Number of atoms: 509
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 63, 509
          Classifications: {'peptide': 63}
          Modifications used: {'COO': 1}
          Link IDs: {'TRANS': 62}
    Chain: "z"
      Number of atoms: 449
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 58, 449
          Classifications: {'peptide': 58}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 2, 'TRANS': 55}
    Chain: "B"
      Number of atoms: 444
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 56, 444
          Classifications: {'peptide': 56}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 1, 'TRANS': 54}
    Chain: "C"
      Number of atoms: 410
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 50, 410
          Classifications: {'peptide': 50}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 2, 'TRANS': 47}
    Chain: "D"
      Number of atoms: 377
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 46, 377
          Classifications: {'peptide': 46}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 1, 'TRANS': 44}
    Chain: "E"
      Number of atoms: 504
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 64, 504
          Classifications: {'peptide': 64}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 2, 'TRANS': 61}
    Chain: "F"
      Number of atoms: 302
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 38, 302
          Classifications: {'peptide': 38}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 1, 'TRANS': 36}
    Chain: "G"
      Number of atoms: 1757
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 225, 1757
          Classifications: {'peptide': 225}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 7, 'TRANS': 217}
    Chain: "H"
      Number of atoms: 1625
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 206, 1625
          Classifications: {'peptide': 206}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 7, 'TRANS': 198}
    Chain: "I"
      Number of atoms: 1643
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 205, 1643
          Classifications: {'peptide': 205}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 6, 'TRANS': 198}
    Chain: "J"
      Number of atoms: 1157
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 157, 1157
          Classifications: {'peptide': 157}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 5, 'TRANS': 151}
    Chain: "K"
      Number of atoms: 818
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 100, 818
          Classifications: {'peptide': 100}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 4, 'TRANS': 95}
    Chain: "L"
      Number of atoms: 1182
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 151, 1182
          Classifications: {'peptide': 151}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 5, 'TRANS': 145}
    Chain: "M"
      Number of atoms: 979
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 129, 979
          Classifications: {'peptide': 129}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 5, 'TRANS': 123}
    Chain: "N"
      Number of atoms: 1022
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 127, 1022
          Classifications: {'peptide': 127}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 3, 'TRANS': 123}
    Chain: "O"
      Number of atoms: 787
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 98, 787
          Classifications: {'peptide': 98}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 5, 'TRANS': 92}
    Chain: "P"
      Number of atoms: 870
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 116, 870
          Classifications: {'peptide': 116}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 7, 'TRANS': 108}
    Chain: "Q"
      Number of atoms: 955
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 123, 955
          Classifications: {'peptide': 123}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 7, 'TRANS': 115}
    Chain: "R"
      Number of atoms: 884
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 114, 884
          Classifications: {'peptide': 114}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 4, 'TRANS': 109}
    Chain: "S"
      Number of atoms: 805
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 100, 805
          Classifications: {'peptide': 100}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 4, 'TRANS': 95}
    Chain: "T"
      Number of atoms: 714
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 88, 714
          Classifications: {'peptide': 88}
          Modifications used: {'COO': 1}
          Link IDs: {'TRANS': 87}
    Chain: "U"
      Number of atoms: 649
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 82, 649
          Classifications: {'peptide': 82}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 2, 'TRANS': 79}
    Chain: "V"
      Number of atoms: 649
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 80, 649
          Classifications: {'peptide': 80}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 2, 'TRANS': 77}
    Chain: "W"
      Number of atoms: 536
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 65, 536
          Classifications: {'peptide': 65}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 2, 'TRANS': 62}
    Chain: "X"
      Number of atoms: 638
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 79, 638
          Classifications: {'peptide': 79}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 5, 'TRANS': 73}
    Chain: "Y"
      Number of atoms: 665
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 85, 665
          Classifications: {'peptide': 85}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 1, 'TRANS': 83}
    Chain: "Z"
      Number of atoms: 545
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 65, 545
          Classifications: {'peptide': 65}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 2, 'TRANS': 62}
    Chain: "a"
      Number of atoms: 1027
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 134, 1027
          Classifications: {'peptide': 134}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 2, 'TRANS': 131}
          Chain breaks: 1
    Chain: "3"
      Number of atoms: 33012
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 1539, 33012
          Classifications: {'RNA': 1539}
          Modifications used: {'5*END': 1, 'rna2p_pur': 90, 'rna2p_pyr': 49, 'rna3p_pur': 784, 'rna3p_pyr': 616}
          Link IDs: {'rna2p': 139, 'rna3p': 1399}
    Chain: "1"
      Number of atoms: 62317
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 2903, 62317
          Classifications: {'RNA': 2903}
          Modifications used: {'5*END': 1, 'rna2p_pur': 211, 'rna2p_pyr': 94, 'rna3p_pur': 1463, 'rna3p_pyr': 1135}
          Link IDs: {'rna2p': 305, 'rna3p': 2597}
    Chain: "2"
      Number of atoms: 2568
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 120, 2568
          Classifications: {'RNA': 120}
          Modifications used: {'5*END': 1, 'rna2p_pur': 4, 'rna2p_pyr': 2, 'rna3p_pur': 61, 'rna3p_pyr': 53}
          Link IDs: {'rna2p': 6, 'rna3p': 113}
    Chain: "5"
      Number of atoms: 1640
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 77, 1640
          Classifications: {'RNA': 77}
          Modifications used: {'5*END': 1, 'rna2p_pur': 6, 'rna2p_pyr': 4, 'rna3p_pur': 33, 'rna3p_pyr': 34}
          Link IDs: {'rna2p': 9, 'rna3p': 67}
    Chain: "6"
      Number of atoms: 1640
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 77, 1640
          Classifications: {'RNA': 77}
          Modifications used: {'5*END': 1, 'rna2p_pur': 5, 'rna2p_pyr': 3, 'rna3p_pur': 34, 'rna3p_pyr': 35}
          Link IDs: {'rna2p': 8, 'rna3p': 68}
    Chain: "4"
      Number of atoms: 388
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 18, 388
          Classifications: {'RNA': 18}
          Modifications used: {'5*END': 1, 'rna2p_pur': 1, 'rna3p_pur': 12, 'rna3p_pyr': 5}
          Link IDs: {'rna2p': 1, 'rna3p': 16}
    Chain: "7"
      Number of atoms: 1638
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 78, 1638
          Classifications: {'RNA': 76, 'peptide': 2}
          Modifications used: {'5*END': 1, 'rna2p_pur': 6, 'rna2p_pyr': 6, 'rna3p_pur': 33, 'rna3p_pyr': 31}
          Link IDs: {'TRANS': 1, 'rna2p': 12, 'rna3p': 63, None: 1}
            Not linked:
              pdbres="  A 7  77 "
              pdbres="PHE 7 101 "
          Chain breaks: 1
  Residues with excluded nonbonded symmetry interactions: 2
    residue:
      pdb=" N   PHE 7 101 " occ=0.94
      ... (9 atoms not shown)
      pdb=" CZ  PHE 7 101 " occ=0.75
    residue:
      pdb=" N   MET 7 102 " occ=0.70
      ... (6 atoms not shown)
      pdb=" CE  MET 7 102 " occ=0.70
  Time building chain proxies: 58.90, per 1000 atoms: 0.39
  Number of scatterers: 150220
  At special positions: 0
  Unit cell: (278.597, 267.933, 242.606, 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     154     16.00
     P    4803     15.00
     O   41818      8.00
     N   27960      7.00
     C   75485      6.00
    sf(0) = scattering factor at diffraction angle 0.

  Number of disulfides: simple=0, symmetry=0

  Automatic linking
    Parameters for automatic linking
      Linking & cutoffs
        Metal                : Auto  - 3.50
        Amino acid           : False - 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: 64.73
  Conformation dependent library (CDL) restraints added in 7.1 seconds
  

  11838 Ramachandran restraints generated.
    5919 Oldfield, 0 Emsley, 5919 emsley8k and 0 Phi/Psi/2.
  Adding C-beta torsion restraints...
  Number of C-beta restraints generated:  11076

  Finding SS restraints...
    Secondary structure from input PDB file:
      188 helices and 76 sheets defined
      33.2% alpha, 17.8% beta
      1517 base pairs and 2794 stacking pairs defined.
    Time for finding SS restraints: 55.45
  Creating SS restraints...
    Processing helix  chain 'b' and resid 29 through 31
      No H-bonds generated for 'chain 'b' and resid 29 through 31'
    Processing helix  chain 'b' and resid 196 through 202
      removed outlier: 4.164A  pdb=" N   MET b 200 " --> pdb=" O   ALA b 197 " (cutoff:3.500A)
    Processing helix  chain 'b' and resid 206 through 212
      removed outlier: 4.038A  pdb=" N   ALA b 210 " --> pdb=" O   LYS b 206 " (cutoff:3.500A)
    Processing helix  chain 'b' and resid 220 through 224
    Processing helix  chain 'c' and resid 61 through 72
      removed outlier: 4.141A  pdb=" N   ALA c  71 " --> pdb=" O   HIS c  67 " (cutoff:3.500A)
    Processing helix  chain 'c' and resid 97 through 102
      removed outlier: 3.753A  pdb=" N   LEU c 100 " --> pdb=" O   SER c  97 " (cutoff:3.500A)
    Processing helix  chain 'c' and resid 120 through 125
    Processing helix  chain 'c' and resid 181 through 185
      removed outlier: 3.550A  pdb=" N   ARG c 184 " --> pdb=" O   ASP c 181 " (cutoff:3.500A)
    Processing helix  chain 'd' and resid 24 through 38
    Processing helix  chain 'd' and resid 97 through 114
    Processing helix  chain 'd' and resid 130 through 141
      removed outlier: 3.734A  pdb=" N   LEU d 134 " --> pdb=" O   LYS d 130 " (cutoff:3.500A)
      removed outlier: 3.546A  pdb=" N   MET d 141 " --> pdb=" O   LYS d 137 " (cutoff:3.500A)
    Processing helix  chain 'd' and resid 154 through 160
    Processing helix  chain 'd' and resid 176 through 183
      removed outlier: 3.704A  pdb=" N   LEU d 180 " --> pdb=" O   ASP d 176 " (cutoff:3.500A)
      removed outlier: 3.513A  pdb=" N   PHE d 183 " --> pdb=" O   SER d 179 " (cutoff:3.500A)
    Processing helix  chain 'd' and resid 191 through 198
      removed outlier: 3.706A  pdb=" N   GLU d 198 " --> pdb=" O   LYS d 194 " (cutoff:3.500A)
    Processing helix  chain 'e' and resid 2 through 17
      removed outlier: 3.857A  pdb=" N   VAL e  11 " --> pdb=" O   TYR e   7 " (cutoff:3.500A)
      removed outlier: 5.741A  pdb=" N   VAL e  12 " --> pdb=" O   LYS e   8 " (cutoff:3.500A)
      removed outlier: 4.111A  pdb=" N   LYS e  13 " --> pdb=" O   ASP e   9 " (cutoff:3.500A)
      removed outlier: 4.229A  pdb=" N   THR e  17 " --> pdb=" O   LYS e  13 " (cutoff:3.500A)
    Processing helix  chain 'e' and resid 23 through 27
      removed outlier: 3.804A  pdb=" N   VAL e  27 " --> pdb=" O   VAL e  24 " (cutoff:3.500A)
    Processing helix  chain 'e' and resid 40 through 44
      removed outlier: 4.048A  pdb=" N   ILE e  43 " --> pdb=" O   GLY e  40 " (cutoff:3.500A)
      removed outlier: 3.850A  pdb=" N   ALA e  44 " --> pdb=" O   GLU e  41 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'e' and resid 40 through 44'
    Processing helix  chain 'e' and resid 45 through 60
      removed outlier: 4.296A  pdb=" N   LEU e  49 " --> pdb=" O   ASP e  45 " (cutoff:3.500A)
    Processing helix  chain 'e' and resid 93 through 105
      removed outlier: 3.545A  pdb=" N   GLU e  97 " --> pdb=" O   GLU e  93 " (cutoff:3.500A)
      removed outlier: 3.629A  pdb=" N   ILE e 103 " --> pdb=" O   PHE e  99 " (cutoff:3.500A)
    Processing helix  chain 'e' and resid 105 through 110
    Processing helix  chain 'e' and resid 133 through 137
      removed outlier: 4.159A  pdb=" N   ILE e 136 " --> pdb=" O   GLU e 133 " (cutoff:3.500A)
      removed outlier: 4.069A  pdb=" N   PHE e 137 " --> pdb=" O   GLN e 134 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'e' and resid 133 through 137'
    Processing helix  chain 'e' and resid 161 through 172
      removed outlier: 3.550A  pdb=" N   GLY e 165 " --> pdb=" O   SER e 161 " (cutoff:3.500A)
      removed outlier: 3.847A  pdb=" N   ALA e 167 " --> pdb=" O   GLU e 163 " (cutoff:3.500A)
      removed outlier: 4.136A  pdb=" N   LEU e 168 " --> pdb=" O   GLU e 164 " (cutoff:3.500A)
    Processing helix  chain 'f' and resid 59 through 78
      removed outlier: 3.532A  pdb=" N   GLN f  63 " --> pdb=" O   ASP f  59 " (cutoff:3.500A)
      removed outlier: 3.547A  pdb=" N   MET f  74 " --> pdb=" O   LEU f  70 " (cutoff:3.500A)
    Processing helix  chain 'f' and resid 136 through 149
      removed outlier: 3.689A  pdb=" N   ILE f 140 " --> pdb=" O   ASP f 136 " (cutoff:3.500A)
      removed outlier: 3.586A  pdb=" N   GLY f 141 " --> pdb=" O   LYS f 137 " (cutoff:3.500A)
    Processing helix  chain 'g' and resid 22 through 28
      removed outlier: 3.519A  pdb=" N   ALA g  26 " --> pdb=" O   LYS g  22 " (cutoff:3.500A)
    Processing helix  chain 'g' and resid 40 through 46
    Processing helix  chain 'g' and resid 54 through 70
      removed outlier: 3.765A  pdb=" N   ALA g  59 " --> pdb=" O   GLU g  55 " (cutoff:3.500A)
      removed outlier: 4.172A  pdb=" N   GLU g  60 " --> pdb=" O   ALA g  56 " (cutoff:3.500A)
      removed outlier: 4.136A  pdb=" N   LEU g  62 " --> pdb=" O   LEU g  58 " (cutoff:3.500A)
      removed outlier: 3.691A  pdb=" N   ALA g  63 " --> pdb=" O   ALA g  59 " (cutoff:3.500A)
    Processing helix  chain 'g' and resid 96 through 104
      removed outlier: 3.631A  pdb=" N   THR g 104 " --> pdb=" O   ALA g 100 " (cutoff:3.500A)
    Processing helix  chain 'h' and resid 3 through 19
      removed outlier: 3.520A  pdb=" N   ALA h  10 " --> pdb=" O   GLN h   6 " (cutoff:3.500A)
      removed outlier: 3.553A  pdb=" N   ALA h  13 " --> pdb=" O   GLN h   9 " (cutoff:3.500A)
      removed outlier: 3.612A  pdb=" N   GLU h  17 " --> pdb=" O   ALA h  13 " (cutoff:3.500A)
    Processing helix  chain 'h' and resid 36 through 41
      removed outlier: 3.770A  pdb=" N   GLU h  40 " --> pdb=" O   ASP h  36 " (cutoff:3.500A)
      removed outlier: 3.517A  pdb=" N   LEU h  41 " --> pdb=" O   LYS h  37 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'h' and resid 36 through 41'
    Processing helix  chain 'h' and resid 71 through 78
      removed outlier: 3.569A  pdb=" N   ASP h  74 " --> pdb=" O   CYS h  71 " (cutoff:3.500A)
      removed outlier: 4.093A  pdb=" N   PHE h  76 " --> pdb=" O   LYS h  73 " (cutoff:3.500A)
    Processing helix  chain 'h' and resid 94 through 102
      removed outlier: 3.752A  pdb=" N   PHE h  99 " --> pdb=" O   LEU h  95 " (cutoff:3.500A)
      removed outlier: 4.202A  pdb=" N   ALA h 100 " --> pdb=" O   PHE h  96 " (cutoff:3.500A)
    Processing helix  chain 'h' and resid 103 through 105
      No H-bonds generated for 'chain 'h' and resid 103 through 105'
    Processing helix  chain 'i' and resid 23 through 27
    Processing helix  chain 'i' and resid 33 through 44
      removed outlier: 3.778A  pdb=" N   ALA i  40 " --> pdb=" O   GLU i  36 " (cutoff:3.500A)
      removed outlier: 3.598A  pdb=" N   ALA i  43 " --> pdb=" O   LYS i  39 " (cutoff:3.500A)
      removed outlier: 3.834A  pdb=" N   LYS i  44 " --> pdb=" O   ALA i  40 " (cutoff:3.500A)
    Processing helix  chain 'i' and resid 45 through 48
    Processing helix  chain 'i' and resid 74 through 84
      removed outlier: 3.533A  pdb=" N   LYS i  81 " --> pdb=" O   VAL i  77 " (cutoff:3.500A)
    Processing helix  chain 'i' and resid 101 through 112
      removed outlier: 3.702A  pdb=" N   ILE i 108 " --> pdb=" O   GLN i 104 " (cutoff:3.500A)
      removed outlier: 3.794A  pdb=" N   THR i 111 " --> pdb=" O   GLU i 107 " (cutoff:3.500A)
    Processing helix  chain 'i' and resid 120 through 136
      removed outlier: 4.019A  pdb=" N   ILE i 128 " --> pdb=" O   MET i 124 " (cutoff:3.500A)
      removed outlier: 3.533A  pdb=" N   SER i 134 " --> pdb=" O   GLY i 130 " (cutoff:3.500A)
    Processing helix  chain 'j' and resid 24 through 38
      removed outlier: 3.513A  pdb=" N   GLU j  31 " --> pdb=" O   ARG j  27 " (cutoff:3.500A)
    Processing helix  chain 'j' and resid 58 through 62
      removed outlier: 3.539A  pdb=" N   VAL j  62 " --> pdb=" O   ALA j  59 " (cutoff:3.500A)
    Processing helix  chain 'j' and resid 67 through 72
    Processing helix  chain 'j' and resid 89 through 96
    Processing helix  chain 'j' and resid 97 through 105
      removed outlier: 4.438A  pdb=" N   ILE j 101 " --> pdb=" O   PRO j  97 " (cutoff:3.500A)
      removed outlier: 3.863A  pdb=" N   GLU j 102 " --> pdb=" O   GLU j  98 " (cutoff:3.500A)
    Processing helix  chain 'j' and resid 106 through 109
    Processing helix  chain 'j' and resid 112 through 120
      removed outlier: 3.521A  pdb=" N   ARG j 120 " --> pdb=" O   ARG j 116 " (cutoff:3.500A)
    Processing helix  chain 'k' and resid 104 through 108
    Processing helix  chain 'k' and resid 112 through 119
    Processing helix  chain 'l' and resid 56 through 61
    Processing helix  chain 'l' and resid 68 through 74
      removed outlier: 3.727A  pdb=" N   ALA l  72 " --> pdb=" O   SER l  68 " (cutoff:3.500A)
      removed outlier: 3.755A  pdb=" N   ILE l  73 " --> pdb=" O   ARG l  69 " (cutoff:3.500A)
    Processing helix  chain 'l' and resid 129 through 136
      removed outlier: 3.829A  pdb=" N   ALA l 133 " --> pdb=" O   LYS l 129 " (cutoff:3.500A)
    Processing helix  chain 'm' and resid 43 through 55
    Processing helix  chain 'm' and resid 109 through 124
      removed outlier: 3.523A  pdb=" N   GLU m 115 " --> pdb=" O   GLU m 111 " (cutoff:3.500A)
      removed outlier: 3.814A  pdb=" N   LYS m 118 " --> pdb=" O   ARG m 114 " (cutoff:3.500A)
      removed outlier: 3.682A  pdb=" N   LYS m 123 " --> pdb=" O   LEU m 119 " (cutoff:3.500A)
    Processing helix  chain 'n' and resid 13 through 32
    Processing helix  chain 'n' and resid 38 through 53
      removed outlier: 3.550A  pdb=" N   ARG n  45 " --> pdb=" O   ALA n  41 " (cutoff:3.500A)
      removed outlier: 4.733A  pdb=" N   ARG n  46 " --> pdb=" O   LYS n  42 " (cutoff:3.500A)
      removed outlier: 3.964A  pdb=" N   VAL n  47 " --> pdb=" O   GLU n  43 " (cutoff:3.500A)
      Proline residue:  n  50  - end of helix
    Processing helix  chain 'n' and resid 59 through 69
      removed outlier: 3.713A  pdb=" N   ARG n  69 " --> pdb=" O   LEU n  65 " (cutoff:3.500A)
    Processing helix  chain 'n' and resid 74 through 79
    Processing helix  chain 'n' and resid 82 through 87
    Processing helix  chain 'o' and resid 3 through 20
      removed outlier: 4.672A  pdb=" N   ARG o  13 " --> pdb=" O   ARG o   9 " (cutoff:3.500A)
      removed outlier: 4.937A  pdb=" N   ALA o  14 " --> pdb=" O   ARG o  10 " (cutoff:3.500A)
      removed outlier: 3.520A  pdb=" N   GLU o  20 " --> pdb=" O   ARG o  16 " (cutoff:3.500A)
    Processing helix  chain 'o' and resid 55 through 60
    Processing helix  chain 'o' and resid 67 through 86
    Processing helix  chain 'o' and resid 101 through 114
      removed outlier: 4.008A  pdb=" N   GLU o 112 " --> pdb=" O   ASP o 108 " (cutoff:3.500A)
      removed outlier: 3.726A  pdb=" N   ALA o 113 " --> pdb=" O   ALA o 109 " (cutoff:3.500A)
    Processing helix  chain 'p' and resid 2 through 9
    Processing helix  chain 'p' and resid 52 through 55
    Processing helix  chain 'p' and resid 96 through 100
    Processing helix  chain 'p' and resid 103 through 107
    Processing helix  chain 'q' and resid 6 through 18
    Processing helix  chain 'q' and resid 24 through 28
    Processing helix  chain 'q' and resid 30 through 71
      removed outlier: 4.312A  pdb=" N   GLN q  36 " --> pdb=" O   ARG q  32 " (cutoff:3.500A)
      removed outlier: 4.180A  pdb=" N   ARG q  50 " --> pdb=" O   TYR q  46 " (cutoff:3.500A)
      removed outlier: 4.650A  pdb=" N   LYS q  53 " --> pdb=" O   ARG q  49 " (cutoff:3.500A)
      removed outlier: 3.514A  pdb=" N   ARG q  57 " --> pdb=" O   LYS q  53 " (cutoff:3.500A)
    Processing helix  chain 'q' and resid 74 through 84
    Processing helix  chain 'q' and resid 90 through 101
      removed outlier: 3.545A  pdb=" N   PHE q 100 " --> pdb=" O   ASP q  96 " (cutoff:3.500A)
    Processing helix  chain 'q' and resid 101 through 117
    Processing helix  chain 's' and resid 13 through 22
      removed outlier: 3.546A  pdb=" N   LEU s  19 " --> pdb=" O   GLN s  15 " (cutoff:3.500A)
      removed outlier: 3.999A  pdb=" N   VAL s  20 " --> pdb=" O   LYS s  16 " (cutoff:3.500A)
    Processing helix  chain 's' and resid 28 through 38
      removed outlier: 3.521A  pdb=" N   ASP s  34 " --> pdb=" O   SER s  30 " (cutoff:3.500A)
      removed outlier: 4.035A  pdb=" N   TYR s  38 " --> pdb=" O   ASP s  34 " (cutoff:3.500A)
    Processing helix  chain 's' and resid 41 through 61
    Processing helix  chain 's' and resid 89 through 91
      No H-bonds generated for 'chain 's' and resid 89 through 91'
    Processing helix  chain 't' and resid 2 through 8
      removed outlier: 3.598A  pdb=" N   LEU t   8 " --> pdb=" O   GLU t   4 " (cutoff:3.500A)
    Processing helix  chain 't' and resid 17 through 27
    Processing helix  chain 't' and resid 39 through 51
    Processing helix  chain 'v' and resid 12 through 21
      removed outlier: 4.021A  pdb=" N   ALA v  16 " --> pdb=" O   GLN v  12 " (cutoff:3.500A)
    Processing helix  chain 'v' and resid 53 through 58
    Processing helix  chain 'x' and resid 52 through 61
      removed outlier: 3.624A  pdb=" N   ARG x  56 " --> pdb=" O   ALA x  52 " (cutoff:3.500A)
    Processing helix  chain 'x' and resid 62 through 73
    Processing helix  chain 'y' and resid 2 through 6
    Processing helix  chain 'y' and resid 11 through 23
      removed outlier: 3.637A  pdb=" N   ASN y  15 " --> pdb=" O   VAL y  11 " (cutoff:3.500A)
      removed outlier: 3.894A  pdb=" N   THR y  16 " --> pdb=" O   GLU y  12 " (cutoff:3.500A)
      removed outlier: 3.616A  pdb=" N   ARG y  23 " --> pdb=" O   LEU y  19 " (cutoff:3.500A)
    Processing helix  chain 'y' and resid 23 through 32
      removed outlier: 3.651A  pdb=" N   LEU y  28 " --> pdb=" O   GLU y  24 " (cutoff:3.500A)
    Processing helix  chain 'y' and resid 40 through 61
      removed outlier: 4.286A  pdb=" N   LYS y  44 " --> pdb=" O   SER y  40 " (cutoff:3.500A)
      removed outlier: 3.826A  pdb=" N   ASN y  58 " --> pdb=" O   LYS y  54 " (cutoff:3.500A)
    Processing helix  chain 'z' and resid 16 through 27
    Processing helix  chain 'z' and resid 40 through 48
      removed outlier: 3.647A  pdb=" N   MET z  46 " --> pdb=" O   ALA z  42 " (cutoff:3.500A)
    Processing helix  chain 'B' and resid 8 through 16
    Processing helix  chain 'D' and resid 8 through 17
    Processing helix  chain 'D' and resid 17 through 22
    Processing helix  chain 'D' and resid 24 through 38
    Processing helix  chain 'E' and resid 8 through 12
    Processing helix  chain 'E' and resid 36 through 44
      removed outlier: 3.651A  pdb=" N   ARG E  44 " --> pdb=" O   LYS E  40 " (cutoff:3.500A)
    Processing helix  chain 'E' and resid 53 through 61
      removed outlier: 3.667A  pdb=" N   VAL E  57 " --> pdb=" O   ASP E  53 " (cutoff:3.500A)
      removed outlier: 3.505A  pdb=" N   ALA E  59 " --> pdb=" O   GLY E  55 " (cutoff:3.500A)
    Processing helix  chain 'F' and resid 18 through 22
      removed outlier: 3.809A  pdb=" N   GLY F  21 " --> pdb=" O   LYS F  18 " (cutoff:3.500A)
    Processing helix  chain 'F' and resid 30 through 34
    Processing helix  chain 'G' and resid 4 through 10
      removed outlier: 3.835A  pdb=" N   MET G   8 " --> pdb=" O   SER G   4 " (cutoff:3.500A)
      removed outlier: 3.522A  pdb=" N   LEU G   9 " --> pdb=" O   MET G   5 " (cutoff:3.500A)
    Processing helix  chain 'G' and resid 23 through 28
      removed outlier: 3.880A  pdb=" N   LYS G  27 " --> pdb=" O   PRO G  24 " (cutoff:3.500A)
      Proline residue:  G  28  - end of helix
    Processing helix  chain 'G' and resid 41 through 62
      removed outlier: 3.578A  pdb=" N   THR G  45 " --> pdb=" O   ASN G  41 " (cutoff:3.500A)
      Proline residue:  G  47  - end of helix
      removed outlier: 4.004A  pdb=" N   ALA G  52 " --> pdb=" O   MET G  48 " (cutoff:3.500A)
      removed outlier: 3.523A  pdb=" N   ILE G  59 " --> pdb=" O   GLU G  55 " (cutoff:3.500A)
      removed outlier: 3.540A  pdb=" N   ARG G  62 " --> pdb=" O   LYS G  58 " (cutoff:3.500A)
    Processing helix  chain 'G' and resid 77 through 86
      removed outlier: 3.710A  pdb=" N   ASP G  81 " --> pdb=" O   GLU G  77 " (cutoff:3.500A)
      removed outlier: 3.662A  pdb=" N   CYS G  86 " --> pdb=" O   ALA G  82 " (cutoff:3.500A)
    Processing helix  chain 'G' and resid 102 through 119
      removed outlier: 4.583A  pdb=" N   GLN G 108 " --> pdb=" O   LYS G 104 " (cutoff:3.500A)
      removed outlier: 3.533A  pdb=" N   LYS G 111 " --> pdb=" O   ARG G 107 " (cutoff:3.500A)
      removed outlier: 3.586A  pdb=" N   ARG G 112 " --> pdb=" O   GLN G 108 " (cutoff:3.500A)
      removed outlier: 3.628A  pdb=" N   LEU G 113 " --> pdb=" O   SER G 109 " (cutoff:3.500A)
      removed outlier: 3.634A  pdb=" N   ASP G 115 " --> pdb=" O   LYS G 111 " (cutoff:3.500A)
      removed outlier: 3.700A  pdb=" N   LEU G 116 " --> pdb=" O   ARG G 112 " (cutoff:3.500A)
    Processing helix  chain 'G' and resid 129 through 145
      removed outlier: 3.757A  pdb=" N   LEU G 140 " --> pdb=" O   ARG G 136 " (cutoff:3.500A)
      removed outlier: 3.554A  pdb=" N   LYS G 142 " --> pdb=" O   ARG G 138 " (cutoff:3.500A)
    Processing helix  chain 'G' and resid 147 through 151
      removed outlier: 3.635A  pdb=" N   LYS G 151 " --> pdb=" O   GLY G 148 " (cutoff:3.500A)
    Processing helix  chain 'G' and resid 168 through 179
      removed outlier: 3.672A  pdb=" N   ILE G 172 " --> pdb=" O   GLU G 168 " (cutoff:3.500A)
      removed outlier: 3.583A  pdb=" N   LYS G 173 " --> pdb=" O   HIS G 169 " (cutoff:3.500A)
      removed outlier: 3.565A  pdb=" N   GLU G 174 " --> pdb=" O   ILE G 170 " (cutoff:3.500A)
      removed outlier: 3.551A  pdb=" N   ASN G 176 " --> pdb=" O   ILE G 172 " (cutoff:3.500A)
      removed outlier: 3.816A  pdb=" N   ASN G 177 " --> pdb=" O   LYS G 173 " (cutoff:3.500A)
      removed outlier: 3.564A  pdb=" N   LEU G 178 " --> pdb=" O   GLU G 174 " (cutoff:3.500A)
    Processing helix  chain 'G' and resid 191 through 195
      removed outlier: 4.385A  pdb=" N   GLY G 194 " --> pdb=" O   ASP G 191 " (cutoff:3.500A)
    Processing helix  chain 'G' and resid 205 through 224
      removed outlier: 3.839A  pdb=" N   LEU G 211 " --> pdb=" O   ARG G 207 " (cutoff:3.500A)
      removed outlier: 3.744A  pdb=" N   TYR G 212 " --> pdb=" O   ALA G 208 " (cutoff:3.500A)
      removed outlier: 3.534A  pdb=" N   ARG G 221 " --> pdb=" O   ALA G 217 " (cutoff:3.500A)
    Processing helix  chain 'H' and resid 7 through 11
    Processing helix  chain 'H' and resid 27 through 46
      removed outlier: 3.749A  pdb=" N   LEU H  42 " --> pdb=" O   VAL H  38 " (cutoff:3.500A)
      removed outlier: 3.515A  pdb=" N   LYS H  44 " --> pdb=" O   GLN H  40 " (cutoff:3.500A)
    Processing helix  chain 'H' and resid 47 through 49
      No H-bonds generated for 'chain 'H' and resid 47 through 49'
    Processing helix  chain 'H' and resid 71 through 77
    Processing helix  chain 'H' and resid 80 through 95
      removed outlier: 3.693A  pdb=" N   ASP H  92 " --> pdb=" O   LYS H  88 " (cutoff:3.500A)
      removed outlier: 4.447A  pdb=" N   ILE H  93 " --> pdb=" O   VAL H  89 " (cutoff:3.500A)
    Processing helix  chain 'H' and resid 107 through 110
    Processing helix  chain 'H' and resid 111 through 124
      removed outlier: 3.571A  pdb=" N   VAL H 115 " --> pdb=" O   ASP H 111 " (cutoff:3.500A)
    Processing helix  chain 'H' and resid 128 through 142
      removed outlier: 3.590A  pdb=" N   VAL H 137 " --> pdb=" O   MET H 133 " (cutoff:3.500A)
      removed outlier: 3.571A  pdb=" N   ALA H 140 " --> pdb=" O   ALA H 136 " (cutoff:3.500A)
      removed outlier: 3.639A  pdb=" N   MET H 141 " --> pdb=" O   VAL H 137 " (cutoff:3.500A)
    Processing helix  chain 'H' and resid 156 through 159
    Processing helix  chain 'I' and resid 8 through 14
      removed outlier: 3.540A  pdb=" N   GLU I  14 " --> pdb=" O   LEU I  10 " (cutoff:3.500A)
    Processing helix  chain 'I' and resid 48 through 65
      removed outlier: 3.521A  pdb=" N   ILE I  63 " --> pdb=" O   LYS I  59 " (cutoff:3.500A)
    Processing helix  chain 'I' and resid 67 through 81
    Processing helix  chain 'I' and resid 84 through 96
      removed outlier: 3.612A  pdb=" N   LEU I  90 " --> pdb=" O   GLY I  86 " (cutoff:3.500A)
      removed outlier: 3.559A  pdb=" N   LEU I  92 " --> pdb=" O   ASN I  88 " (cutoff:3.500A)
    Processing helix  chain 'I' and resid 96 through 105
      removed outlier: 3.699A  pdb=" N   TYR I 102 " --> pdb=" O   ASP I  98 " (cutoff:3.500A)
    Processing helix  chain 'I' and resid 109 through 119
    Processing helix  chain 'I' and resid 153 through 162
      removed outlier: 3.584A  pdb=" N   LEU I 160 " --> pdb=" O   ALA I 156 " (cutoff:3.500A)
      removed outlier: 3.847A  pdb=" N   GLU I 162 " --> pdb=" O   LEU I 158 " (cutoff:3.500A)
    Processing helix  chain 'I' and resid 196 through 205
      removed outlier: 3.545A  pdb=" N   VAL I 200 " --> pdb=" O   GLU I 196 " (cutoff:3.500A)
      removed outlier: 3.888A  pdb=" N   GLU I 201 " --> pdb=" O   HIS I 197 " (cutoff:3.500A)
      removed outlier: 3.551A  pdb=" N   LYS I 205 " --> pdb=" O   GLU I 201 " (cutoff:3.500A)
    Processing helix  chain 'J' and resid 54 through 69
      removed outlier: 3.617A  pdb=" N   GLU J  64 " --> pdb=" O   GLN J  60 " (cutoff:3.500A)
      removed outlier: 3.728A  pdb=" N   LYS J  65 " --> pdb=" O   LYS J  61 " (cutoff:3.500A)
      removed outlier: 3.507A  pdb=" N   ARG J  68 " --> pdb=" O   GLU J  64 " (cutoff:3.500A)
    Processing helix  chain 'J' and resid 109 through 116
      removed outlier: 3.750A  pdb=" N   VAL J 113 " --> pdb=" O   ALA J 109 " (cutoff:3.500A)
    Processing helix  chain 'J' and resid 131 through 145
      removed outlier: 3.643A  pdb=" N   GLU J 144 " --> pdb=" O   ILE J 140 " (cutoff:3.500A)
      removed outlier: 3.626A  pdb=" N   ASN J 145 " --> pdb=" O   ASP J 141 " (cutoff:3.500A)
    Processing helix  chain 'J' and resid 148 through 153
    Processing helix  chain 'J' and resid 161 through 165
    Processing helix  chain 'K' and resid 12 through 17
    Processing helix  chain 'K' and resid 18 through 32
      removed outlier: 3.790A  pdb=" N   GLU K  23 " --> pdb=" O   PRO K  19 " (cutoff:3.500A)
      removed outlier: 3.629A  pdb=" N   ALA K  28 " --> pdb=" O   ARG K  24 " (cutoff:3.500A)
    Processing helix  chain 'K' and resid 67 through 80
      removed outlier: 3.841A  pdb=" N   ILE K  71 " --> pdb=" O   PRO K  67 " (cutoff:3.500A)
      removed outlier: 3.991A  pdb=" N   ASP K  72 " --> pdb=" O   GLN K  68 " (cutoff:3.500A)
      removed outlier: 3.586A  pdb=" N   GLU K  73 " --> pdb=" O   GLU K  69 " (cutoff:3.500A)
      removed outlier: 3.693A  pdb=" N   THR K  77 " --> pdb=" O   GLU K  73 " (cutoff:3.500A)
      removed outlier: 3.856A  pdb=" N   PHE K  78 " --> pdb=" O   LEU K  74 " (cutoff:3.500A)
      removed outlier: 3.536A  pdb=" N   PHE K  80 " --> pdb=" O   THR K  76 " (cutoff:3.500A)
    Processing helix  chain 'L' and resid 19 through 30
    Processing helix  chain 'L' and resid 34 through 54
      removed outlier: 3.538A  pdb=" N   ALA L  38 " --> pdb=" O   LYS L  34 " (cutoff:3.500A)
      removed outlier: 3.505A  pdb=" N   ARG L  52 " --> pdb=" O   THR L  48 " (cutoff:3.500A)
    Processing helix  chain 'L' and resid 57 through 64
      removed outlier: 3.545A  pdb=" N   PHE L  61 " --> pdb=" O   GLU L  57 " (cutoff:3.500A)
      removed outlier: 3.847A  pdb=" N   GLU L  62 " --> pdb=" O   LEU L  58 " (cutoff:3.500A)
    Processing helix  chain 'L' and resid 91 through 107
      removed outlier: 3.628A  pdb=" N   ASN L  96 " --> pdb=" O   PRO L  92 " (cutoff:3.500A)
      removed outlier: 4.475A  pdb=" N   ALA L  97 " --> pdb=" O   VAL L  93 " (cutoff:3.500A)
      removed outlier: 3.544A  pdb=" N   VAL L 104 " --> pdb=" O   MET L 100 " (cutoff:3.500A)
    Processing helix  chain 'L' and resid 114 through 128
      removed outlier: 3.573A  pdb=" N   ALA L 120 " --> pdb=" O   ALA L 116 " (cutoff:3.500A)
    Processing helix  chain 'L' and resid 131 through 142
      removed outlier: 3.550A  pdb=" N   ARG L 137 " --> pdb=" O   ALA L 133 " (cutoff:3.500A)
    Processing helix  chain 'L' and resid 144 through 148
    Processing helix  chain 'M' and resid 4 through 19
    Processing helix  chain 'M' and resid 29 through 42
      removed outlier: 3.801A  pdb=" N   VAL M  38 " --> pdb=" O   ALA M  34 " (cutoff:3.500A)
    Processing helix  chain 'M' and resid 112 through 116
    Processing helix  chain 'N' and resid 34 through 38
    Processing helix  chain 'N' and resid 70 through 85
    Processing helix  chain 'N' and resid 90 through 95
    Processing helix  chain 'O' and resid 14 through 28
      removed outlier: 3.907A  pdb=" N   GLN O  20 " --> pdb=" O   ARG O  16 " (cutoff:3.500A)
      removed outlier: 4.041A  pdb=" N   GLU O  24 " --> pdb=" O   GLN O  20 " (cutoff:3.500A)
      removed outlier: 3.670A  pdb=" N   ILE O  25 " --> pdb=" O   ALA O  21 " (cutoff:3.500A)
      removed outlier: 3.593A  pdb=" N   GLU O  27 " --> pdb=" O   ALA O  23 " (cutoff:3.500A)
    Processing helix  chain 'O' and resid 80 through 85
      removed outlier: 4.434A  pdb=" N   ASP O  85 " --> pdb=" O   GLU O  81 " (cutoff:3.500A)
    Processing helix  chain 'P' and resid 53 through 57
      removed outlier: 3.600A  pdb=" N   SER P  57 " --> pdb=" O   SER P  54 " (cutoff:3.500A)
    Processing helix  chain 'P' and resid 58 through 68
    Processing helix  chain 'P' and resid 93 through 101
    Processing helix  chain 'Q' and resid 2 through 9
    Processing helix  chain 'Q' and resid 114 through 118
      removed outlier: 3.974A  pdb=" N   GLY Q 117 " --> pdb=" O   SER Q 114 " (cutoff:3.500A)
      removed outlier: 4.072A  pdb=" N   VAL Q 118 " --> pdb=" O   LYS Q 115 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'Q' and resid 114 through 118'
    Processing helix  chain 'R' and resid 13 through 18
    Processing helix  chain 'R' and resid 19 through 21
      No H-bonds generated for 'chain 'R' and resid 19 through 21'
    Processing helix  chain 'R' and resid 25 through 36
    Processing helix  chain 'R' and resid 43 through 47
    Processing helix  chain 'R' and resid 48 through 60
      removed outlier: 3.552A  pdb=" N   ILE R  52 " --> pdb=" O   SER R  48 " (cutoff:3.500A)
      removed outlier: 3.692A  pdb=" N   ASP R  53 " --> pdb=" O   GLU R  49 " (cutoff:3.500A)
      removed outlier: 4.465A  pdb=" N   THR R  54 " --> pdb=" O   GLY R  50 " (cutoff:3.500A)
      removed outlier: 3.947A  pdb=" N   GLU R  58 " --> pdb=" O   THR R  54 " (cutoff:3.500A)
      removed outlier: 3.601A  pdb=" N   VAL R  59 " --> pdb=" O   LEU R  55 " (cutoff:3.500A)
    Processing helix  chain 'R' and resid 64 through 83
      removed outlier: 3.721A  pdb=" N   ARG R  70 " --> pdb=" O   GLY R  66 " (cutoff:3.500A)
      removed outlier: 3.539A  pdb=" N   GLY R  83 " --> pdb=" O   LEU R  79 " (cutoff:3.500A)
    Processing helix  chain 'R' and resid 84 through 93
    Processing helix  chain 'S' and resid 2 through 17
      removed outlier: 3.763A  pdb=" N   LYS S   6 " --> pdb=" O   LYS S   2 " (cutoff:3.500A)
      removed outlier: 3.544A  pdb=" N   ARG S  12 " --> pdb=" O   ARG S   8 " (cutoff:3.500A)
      removed outlier: 3.690A  pdb=" N   ASP S  17 " --> pdb=" O   VAL S  13 " (cutoff:3.500A)
    Processing helix  chain 'S' and resid 24 through 29
    Processing helix  chain 'S' and resid 38 through 47
      removed outlier: 3.732A  pdb=" N   VAL S  44 " --> pdb=" O   ARG S  40 " (cutoff:3.500A)
    Processing helix  chain 'S' and resid 55 through 59
    Processing helix  chain 'S' and resid 79 through 88
      removed outlier: 3.546A  pdb=" N   ARG S  84 " --> pdb=" O   ARG S  80 " (cutoff:3.500A)
    Processing helix  chain 'T' and resid 3 through 15
      removed outlier: 3.587A  pdb=" N   SER T  12 " --> pdb=" O   ALA T   8 " (cutoff:3.500A)
      removed outlier: 3.514A  pdb=" N   GLU T  13 " --> pdb=" O   LYS T   9 " (cutoff:3.500A)
      removed outlier: 3.635A  pdb=" N   GLY T  15 " --> pdb=" O   VAL T  11 " (cutoff:3.500A)
    Processing helix  chain 'T' and resid 23 through 39
    Processing helix  chain 'T' and resid 48 through 73
      removed outlier: 3.729A  pdb=" N   GLY T  54 " --> pdb=" O   HIS T  50 " (cutoff:3.500A)
    Processing helix  chain 'T' and resid 73 through 85
      removed outlier: 3.539A  pdb=" N   GLU T  82 " --> pdb=" O   THR T  78 " (cutoff:3.500A)
    Processing helix  chain 'U' and resid 53 through 62
      removed outlier: 3.532A  pdb=" N   ILE U  57 " --> pdb=" O   ASP U  53 " (cutoff:3.500A)
    Processing helix  chain 'U' and resid 68 through 77
      removed outlier: 3.557A  pdb=" N   GLU U  77 " --> pdb=" O   ALA U  73 " (cutoff:3.500A)
    Processing helix  chain 'W' and resid 24 through 29
      removed outlier: 3.710A  pdb=" N   LEU W  28 " --> pdb=" O   ASP W  24 " (cutoff:3.500A)
    Processing helix  chain 'W' and resid 30 through 32
      No H-bonds generated for 'chain 'W' and resid 30 through 32'
    Processing helix  chain 'W' and resid 40 through 45
      removed outlier: 3.676A  pdb=" N   THR W  44 " --> pdb=" O   PRO W  40 " (cutoff:3.500A)
    Processing helix  chain 'W' and resid 47 through 64
    Processing helix  chain 'X' and resid 11 through 23
      removed outlier: 3.518A  pdb=" N   LYS X  17 " --> pdb=" O   HIS X  13 " (cutoff:3.500A)
      removed outlier: 3.528A  pdb=" N   GLU X  23 " --> pdb=" O   GLU X  19 " (cutoff:3.500A)
    Processing helix  chain 'X' and resid 40 through 44
      removed outlier: 3.649A  pdb=" N   ILE X  44 " --> pdb=" O   PRO X  41 " (cutoff:3.500A)
    Processing helix  chain 'X' and resid 69 through 74
      removed outlier: 3.635A  pdb=" N   PHE X  73 " --> pdb=" O   LEU X  70 " (cutoff:3.500A)
    Processing helix  chain 'Y' and resid 7 through 41
      removed outlier: 3.990A  pdb=" N   HIS Y  19 " --> pdb=" O   LYS Y  15 " (cutoff:3.500A)
      removed outlier: 3.624A  pdb=" N   SER Y  22 " --> pdb=" O   LYS Y  18 " (cutoff:3.500A)
      removed outlier: 3.559A  pdb=" N   PHE Y  30 " --> pdb=" O   MET Y  26 " (cutoff:3.500A)
    Processing helix  chain 'Y' and resid 42 through 53
      removed outlier: 3.532A  pdb=" N   MET Y  53 " --> pdb=" O   ALA Y  49 " (cutoff:3.500A)
    Processing helix  chain 'Y' and resid 53 through 63
      removed outlier: 3.527A  pdb=" N   ASP Y  58 " --> pdb=" O   GLN Y  54 " (cutoff:3.500A)
      removed outlier: 3.531A  pdb=" N   ARG Y  59 " --> pdb=" O   PRO Y  55 " (cutoff:3.500A)
    Processing helix  chain 'Y' and resid 68 through 86
    Processing helix  chain 'Z' and resid 17 through 23
      removed outlier: 3.517A  pdb=" N   GLU Z  23 " --> pdb=" O   LYS Z  19 " (cutoff:3.500A)
    Processing helix  chain 'Z' and resid 38 through 57
      removed outlier: 3.670A  pdb=" N   LYS Z  48 " --> pdb=" O   ARG Z  44 " (cutoff:3.500A)
      removed outlier: 3.567A  pdb=" N   SER Z  50 " --> pdb=" O   ARG Z  46 " (cutoff:3.500A)
      removed outlier: 3.819A  pdb=" N   LYS Z  53 " --> pdb=" O   ALA Z  49 " (cutoff:3.500A)
    Processing helix  chain 'a' and resid 5 through 14
      removed outlier: 3.729A  pdb=" N   VAL a  10 " --> pdb=" O   LYS a   6 " (cutoff:3.500A)
      removed outlier: 3.937A  pdb=" N   ILE a  11 " --> pdb=" O   ARG a   7 " (cutoff:3.500A)
    Processing helix  chain 'a' and resid 22 through 30
      removed outlier: 4.274A  pdb=" N   ILE a  27 " --> pdb=" O   ILE a  23 " (cutoff:3.500A)
      removed outlier: 5.343A  pdb=" N   ALA a  28 " --> pdb=" O   ASN a  24 " (cutoff:3.500A)
    Processing helix  chain 'a' and resid 54 through 58
      removed outlier: 3.649A  pdb=" N   GLN a  57 " --> pdb=" O   LYS a  54 " (cutoff:3.500A)
      removed outlier: 3.748A  pdb=" N   ASN a  58 " --> pdb=" O   SER a  55 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'a' and resid 54 through 58'
    Processing helix  chain 'a' and resid 181 through 197
      removed outlier: 3.816A  pdb=" N   LEU a 189 " --> pdb=" O   LEU a 185 " (cutoff:3.500A)
      removed outlier: 3.694A  pdb=" N   GLU a 190 " --> pdb=" O   LYS a 186 " (cutoff:3.500A)
    Processing sheet with id=AA1, first strand: chain 'b' and resid 2 through 4
    Processing sheet with id=AA2, first strand: chain 'b' and resid 33 through 34
    Processing sheet with id=AA3, first strand: chain 'b' and resid 100 through 104
      removed outlier: 3.586A  pdb=" N   ARG b  79 " --> pdb=" O   LEU b  92 " (cutoff:3.500A)
      removed outlier: 6.528A  pdb=" N   LEU b  94 " --> pdb=" O   VAL b  77 " (cutoff:3.500A)
      removed outlier: 5.547A  pdb=" N   VAL b  77 " --> pdb=" O   LEU b  94 " (cutoff:3.500A)
    Processing sheet with id=AA4, first strand: chain 'b' and resid 128 through 130
      removed outlier: 7.055A  pdb=" N   THR b 172 " --> pdb=" O   VAL b 164 " (cutoff:3.500A)
      removed outlier: 5.082A  pdb=" N   ARG b 166 " --> pdb=" O   TYR b 170 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   TYR b 170 " --> pdb=" O   ARG b 166 " (cutoff:3.500A)
    Processing sheet with id=AA5, first strand: chain 'c' and resid 4 through 15
      removed outlier: 6.807A  pdb=" N   VAL c  26 " --> pdb=" O   VAL c   9 " (cutoff:3.500A)
      removed outlier: 4.636A  pdb=" N   MET c  11 " --> pdb=" O   VAL c  24 " (cutoff:3.500A)
      removed outlier: 6.890A  pdb=" N   VAL c  24 " --> pdb=" O   MET c  11 " (cutoff:3.500A)
      removed outlier: 4.739A  pdb=" N   ARG c  13 " --> pdb=" O   ILE c  22 " (cutoff:3.500A)
      removed outlier: 6.390A  pdb=" N   ILE c  22 " --> pdb=" O   ARG c  13 " (cutoff:3.500A)
      removed outlier: 6.891A  pdb=" N   LEU c 188 " --> pdb=" O   VAL c 178 " (cutoff:3.500A)
      removed outlier: 4.568A  pdb=" N   ASP c 176 " --> pdb=" O   LYS c 190 " (cutoff:3.500A)
      removed outlier: 5.159A  pdb=" N   THR c 171 " --> pdb=" O   GLY c 111 " (cutoff:3.500A)
      removed outlier: 7.226A  pdb=" N   GLY c 111 " --> pdb=" O   THR c 171 " (cutoff:3.500A)
      removed outlier: 5.289A  pdb=" N   GLN c 173 " --> pdb=" O   VAL c 109 " (cutoff:3.500A)
      removed outlier: 6.412A  pdb=" N   VAL c 109 " --> pdb=" O   GLN c 173 " (cutoff:3.500A)
      removed outlier: 4.858A  pdb=" N   THR c 112 " --> pdb=" O   ASP c 200 " (cutoff:3.500A)
      removed outlier: 7.217A  pdb=" N   ASP c 200 " --> pdb=" O   THR c 112 " (cutoff:3.500A)
    Processing sheet with id=AA6, first strand: chain 'c' and resid 77 through 83
      removed outlier: 5.232A  pdb=" N   GLY c  78 " --> pdb=" O   THR c  52 " (cutoff:3.500A)
      removed outlier: 4.711A  pdb=" N   THR c  52 " --> pdb=" O   GLY c  78 " (cutoff:3.500A)
      removed outlier: 6.327A  pdb=" N   ALA c  47 " --> pdb=" O   VAL c  37 " (cutoff:3.500A)
      removed outlier: 4.686A  pdb=" N   VAL c  37 " --> pdb=" O   ALA c  47 " (cutoff:3.500A)
      removed outlier: 6.569A  pdb=" N   GLN c  49 " --> pdb=" O   THR c  35 " (cutoff:3.500A)
    Processing sheet with id=AA7, first strand: chain 'c' and resid 117 through 119
      removed outlier: 3.535A  pdb=" N   GLY c 117 " --> pdb=" O   MET c 165 " (cutoff:3.500A)
    Processing sheet with id=AA8, first strand: chain 'd' and resid 2 through 3
      removed outlier: 3.587A  pdb=" N   LEU d   3 " --> pdb=" O   LEU d  12 " (cutoff:3.500A)
    Processing sheet with id=AA9, first strand: chain 'd' and resid 118 through 121
      removed outlier: 7.625A  pdb=" N   ILE d 149 " --> pdb=" O   THR d 189 " (cutoff:3.500A)
      removed outlier: 6.397A  pdb=" N   ILE d 148 " --> pdb=" O   ARG d 170 " (cutoff:3.500A)
    Processing sheet with id=AB1, first strand: chain 'e' and resid 89 through 90
      removed outlier: 3.543A  pdb=" N   LEU e  90 " --> pdb=" O   ILE e  33 " (cutoff:3.500A)
      removed outlier: 3.604A  pdb=" N   LYS e  32 " --> pdb=" O   THR e 156 " (cutoff:3.500A)
      removed outlier: 3.548A  pdb=" N   ASP e 152 " --> pdb=" O   ASN e  36 " (cutoff:3.500A)
    Processing sheet with id=AB2, first strand: chain 'e' and resid 65 through 68
      removed outlier: 3.789A  pdb=" N   GLY e  85 " --> pdb=" O   THR e  67 " (cutoff:3.500A)
    Processing sheet with id=AB3, first strand: chain 'f' and resid 8 through 9
    Processing sheet with id=AB4, first strand: chain 'f' and resid 18 through 19
    Processing sheet with id=AB5, first strand: chain 'f' and resid 120 through 123
    Processing sheet with id=AB6, first strand: chain 'f' and resid 94 through 98
    Processing sheet with id=AB7, first strand: chain 'g' and resid 4 through 5
    Processing sheet with id=AB8, first strand: chain 'g' and resid 79 through 82
      removed outlier: 3.905A  pdb=" N   VAL g 147 " --> pdb=" O   ILE g  80 " (cutoff:3.500A)
      removed outlier: 3.534A  pdb=" N   HIS g 128 " --> pdb=" O   VAL g 144 " (cutoff:3.500A)
    Processing sheet with id=AB9, first strand: chain 'h' and resid 25 through 27
    Processing sheet with id=AC1, first strand: chain 'i' and resid 8 through 10
      removed outlier: 3.925A  pdb=" N   VAL i   8 " --> pdb=" O   ILE i  58 " (cutoff:3.500A)
      removed outlier: 3.720A  pdb=" N   ILE i  58 " --> pdb=" O   VAL i   8 " (cutoff:3.500A)
      removed outlier: 3.721A  pdb=" N   LEU i  10 " --> pdb=" O   VAL i  56 " (cutoff:3.500A)
      removed outlier: 3.509A  pdb=" N   VAL i  56 " --> pdb=" O   LEU i  10 " (cutoff:3.500A)
      removed outlier: 3.665A  pdb=" N   VAL i  69 " --> pdb=" O   VAL i  57 " (cutoff:3.500A)
    Processing sheet with id=AC2, first strand: chain 'j' and resid 122 through 124
      removed outlier: 6.476A  pdb=" N   ILE j  54 " --> pdb=" O   LYS j 123 " (cutoff:3.500A)
      removed outlier: 6.359A  pdb=" N   TYR j  16 " --> pdb=" O   ILE j  55 " (cutoff:3.500A)
      removed outlier: 7.405A  pdb=" N   LEU j  57 " --> pdb=" O   TYR j  16 " (cutoff:3.500A)
      removed outlier: 6.808A  pdb=" N   VAL j  18 " --> pdb=" O   LEU j  57 " (cutoff:3.500A)
      removed outlier: 3.737A  pdb=" N   GLN j 138 " --> pdb=" O   TRP j  15 " (cutoff:3.500A)
    Processing sheet with id=AC3, first strand: chain 'j' and resid 73 through 77
    Processing sheet with id=AC4, first strand: chain 'k' and resid 7 through 10
      removed outlier: 6.495A  pdb=" N   ARG k  17 " --> pdb=" O   VAL k  10 " (cutoff:3.500A)
      removed outlier: 6.657A  pdb=" N   ALA k  16 " --> pdb=" O   ALA k  46 " (cutoff:3.500A)
      removed outlier: 6.389A  pdb=" N   ALA k  46 " --> pdb=" O   ALA k  16 " (cutoff:3.500A)
      removed outlier: 6.653A  pdb=" N   ARG k  18 " --> pdb=" O   LYS k  44 " (cutoff:3.500A)
      removed outlier: 6.814A  pdb=" N   LYS k  40 " --> pdb=" O   ILE k  22 " (cutoff:3.500A)
      removed outlier: 5.918A  pdb=" N   VAL k  24 " --> pdb=" O   ILE k  38 " (cutoff:3.500A)
      removed outlier: 7.887A  pdb=" N   ILE k  38 " --> pdb=" O   VAL k  24 " (cutoff:3.500A)
      removed outlier: 5.920A  pdb=" N   VAL k  62 " --> pdb=" O   VAL k  85 " (cutoff:3.500A)
      removed outlier: 6.515A  pdb=" N   VAL k  85 " --> pdb=" O   VAL k  62 " (cutoff:3.500A)
      removed outlier: 8.120A  pdb=" N   CYS k  84 " --> pdb=" O   MET k   7 " (cutoff:3.500A)
      removed outlier: 6.523A  pdb=" N   ASN k   9 " --> pdb=" O   CYS k  84 " (cutoff:3.500A)
      removed outlier: 7.661A  pdb=" N   LEU k  86 " --> pdb=" O   ASN k   9 " (cutoff:3.500A)
    Processing sheet with id=AC5, first strand: chain 'k' and resid 69 through 70
      removed outlier: 3.858A  pdb=" N   VAL k  76 " --> pdb=" O   VAL p  72 " (cutoff:3.500A)
      removed outlier: 3.932A  pdb=" N   ALA p  48 " --> pdb=" O   THR p  59 " (cutoff:3.500A)
      removed outlier: 6.565A  pdb=" N   ARG p  61 " --> pdb=" O   VAL p  46 " (cutoff:3.500A)
      removed outlier: 5.840A  pdb=" N   VAL p  46 " --> pdb=" O   ARG p  61 " (cutoff:3.500A)
      removed outlier: 8.222A  pdb=" N   ILE p  63 " --> pdb=" O   GLY p  44 " (cutoff:3.500A)
      removed outlier: 8.810A  pdb=" N   GLY p  44 " --> pdb=" O   ILE p  63 " (cutoff:3.500A)
      removed outlier: 6.507A  pdb=" N   THR p  24 " --> pdb=" O   LYS p  86 " (cutoff:3.500A)
      removed outlier: 3.824A  pdb=" N   SER p  82 " --> pdb=" O   LYS p  28 " (cutoff:3.500A)
      removed outlier: 6.382A  pdb=" N   TRP p  30 " --> pdb=" O   VAL p  80 " (cutoff:3.500A)
      removed outlier: 6.361A  pdb=" N   VAL p  80 " --> pdb=" O   TRP p  30 " (cutoff:3.500A)
    Processing sheet with id=AC6, first strand: chain 'l' and resid 75 through 78
      removed outlier: 6.414A  pdb=" N   ALA l 108 " --> pdb=" O   ARG l 126 " (cutoff:3.500A)
    Processing sheet with id=AC7, first strand: chain 'l' and resid 89 through 90
      removed outlier: 6.002A  pdb=" N   VAL l 122 " --> pdb=" O   GLU l 143 " (cutoff:3.500A)
    Processing sheet with id=AC8, first strand: chain 'm' and resid 62 through 65
      removed outlier: 3.616A  pdb=" N   LYS m 100 " --> pdb=" O   ALA m  35 " (cutoff:3.500A)
      removed outlier: 6.533A  pdb=" N   LEU m  33 " --> pdb=" O   LEU m 102 " (cutoff:3.500A)
      removed outlier: 4.318A  pdb=" N   GLU m 104 " --> pdb=" O   PHE m  31 " (cutoff:3.500A)
      removed outlier: 6.573A  pdb=" N   PHE m  31 " --> pdb=" O   GLU m 104 " (cutoff:3.500A)
    Processing sheet with id=AC9, first strand: chain 'm' and resid 39 through 42
      removed outlier: 5.862A  pdb=" N   VAL m  89 " --> pdb=" O   GLU m  75 " (cutoff:3.500A)
      removed outlier: 6.588A  pdb=" N   GLU m  75 " --> pdb=" O   VAL m  89 " (cutoff:3.500A)
      removed outlier: 3.612A  pdb=" N   TYR m  91 " --> pdb=" O   ILE m  73 " (cutoff:3.500A)
    Processing sheet with id=AD1, first strand: chain 'n' and resid 33 through 37
      removed outlier: 3.797A  pdb=" N   GLY n 101 " --> pdb=" O   MET n 110 " (cutoff:3.500A)
      removed outlier: 5.965A  pdb=" N   TYR n 112 " --> pdb=" O   LYS n  99 " (cutoff:3.500A)
      removed outlier: 5.222A  pdb=" N   LYS n  99 " --> pdb=" O   TYR n 112 " (cutoff:3.500A)
      removed outlier: 7.412A  pdb=" N   GLU n 114 " --> pdb=" O   ILE n  97 " (cutoff:3.500A)
      removed outlier: 5.650A  pdb=" N   ILE n  97 " --> pdb=" O   GLU n 114 " (cutoff:3.500A)
    Processing sheet with id=AD2, first strand: chain 'o' and resid 47 through 52
      removed outlier: 3.816A  pdb=" N   VAL o  49 " --> pdb=" O   VAL o  39 " (cutoff:3.500A)
      removed outlier: 3.536A  pdb=" N   HIS o  34 " --> pdb=" O   THR o  31 " (cutoff:3.500A)
      removed outlier: 6.192A  pdb=" N   THR o  24 " --> pdb=" O   SER o  91 " (cutoff:3.500A)
      removed outlier: 7.129A  pdb=" N   ASP o  93 " --> pdb=" O   THR o  24 " (cutoff:3.500A)
      removed outlier: 6.318A  pdb=" N   LEU o  26 " --> pdb=" O   ASP o  93 " (cutoff:3.500A)
    Processing sheet with id=AD3, first strand: chain 'r' and resid 11 through 15
      removed outlier: 7.338A  pdb=" N   TYR r   2 " --> pdb=" O   ILE r  41 " (cutoff:3.500A)
      removed outlier: 4.925A  pdb=" N   ILE r  41 " --> pdb=" O   TYR r   2 " (cutoff:3.500A)
      removed outlier: 6.159A  pdb=" N   VAL r   4 " --> pdb=" O   LEU r  39 " (cutoff:3.500A)
    Processing sheet with id=AD4, first strand: chain 'r' and resid 19 through 23
      removed outlier: 6.954A  pdb=" N   ASP r  95 " --> pdb=" O   VAL r  64 " (cutoff:3.500A)
      removed outlier: 6.746A  pdb=" N   LYS r  60 " --> pdb=" O   THR r  99 " (cutoff:3.500A)
    Processing sheet with id=AD5, first strand: chain 'r' and resid 72 through 78
      removed outlier: 4.065A  pdb=" N   TYR r  83 " --> pdb=" O   ARG r  78 " (cutoff:3.500A)
    Processing sheet with id=AD6, first strand: chain 's' and resid 4 through 8
      removed outlier: 6.736A  pdb=" N   ASP s  94 " --> pdb=" O   ILE s  85 " (cutoff:3.500A)
      removed outlier: 5.353A  pdb=" N   ILE s  85 " --> pdb=" O   ASP s  94 " (cutoff:3.500A)
      removed outlier: 6.579A  pdb=" N   ILE s  96 " --> pdb=" O   LYS s  83 " (cutoff:3.500A)
      removed outlier: 4.719A  pdb=" N   LYS s  83 " --> pdb=" O   ILE s  96 " (cutoff:3.500A)
      removed outlier: 5.512A  pdb=" N   LYS s  98 " --> pdb=" O   SER s  81 " (cutoff:3.500A)
      removed outlier: 4.864A  pdb=" N   SER s  81 " --> pdb=" O   LYS s  98 " (cutoff:3.500A)
      removed outlier: 4.986A  pdb=" N   THR s 100 " --> pdb=" O   GLY s  79 " (cutoff:3.500A)
      removed outlier: 3.576A  pdb=" N   GLY s  79 " --> pdb=" O   THR s 100 " (cutoff:3.500A)
      removed outlier: 6.657A  pdb=" N   SER s 108 " --> pdb=" O   VAL s  71 " (cutoff:3.500A)
      removed outlier: 4.958A  pdb=" N   VAL s  71 " --> pdb=" O   SER s 108 " (cutoff:3.500A)
    Processing sheet with id=AD7, first strand: chain 't' and resid 11 through 14
      removed outlier: 3.941A  pdb=" N   LYS t  81 " --> pdb=" O   VAL t  34 " (cutoff:3.500A)
      removed outlier: 6.407A  pdb=" N   TRP t  80 " --> pdb=" O   VAL t  62 " (cutoff:3.500A)
      removed outlier: 4.917A  pdb=" N   VAL t  62 " --> pdb=" O   TRP t  80 " (cutoff:3.500A)
      removed outlier: 7.131A  pdb=" N   LYS t  82 " --> pdb=" O   THR t  60 " (cutoff:3.500A)
      removed outlier: 4.864A  pdb=" N   THR t  60 " --> pdb=" O   LYS t  82 " (cutoff:3.500A)
      removed outlier: 6.562A  pdb=" N   TYR t  84 " --> pdb=" O   VAL t  58 " (cutoff:3.500A)
      removed outlier: 4.818A  pdb=" N   VAL t  58 " --> pdb=" O   TYR t  84 " (cutoff:3.500A)
      removed outlier: 6.839A  pdb=" N   THR t  86 " --> pdb=" O   GLU t  56 " (cutoff:3.500A)
    Processing sheet with id=AD8, first strand: chain 't' and resid 67 through 70
    Processing sheet with id=AD9, first strand: chain 'u' and resid 64 through 65
    Processing sheet with id=AE1, first strand: chain 'u' and resid 40 through 44
    Processing sheet with id=AE2, first strand: chain 'u' and resid 82 through 85
    Processing sheet with id=AE3, first strand: chain 'v' and resid 6 through 8
      removed outlier: 5.787A  pdb=" N   ALA v  36 " --> pdb=" O   GLY v  32 " (cutoff:3.500A)
      removed outlier: 6.402A  pdb=" N   GLY v  32 " --> pdb=" O   ALA v  36 " (cutoff:3.500A)
      removed outlier: 8.897A  pdb=" N   LYS v  25 " --> pdb=" O   GLN v  87 " (cutoff:3.500A)
      removed outlier: 10.034A  pdb=" N   ILE v  89 " --> pdb=" O   LYS v  25 " (cutoff:3.500A)
      removed outlier: 8.461A  pdb=" N   PHE v  91 " --> pdb=" O   PRO v  27 " (cutoff:3.500A)
      removed outlier: 6.326A  pdb=" N   ILE v  29 " --> pdb=" O   PHE v  91 " (cutoff:3.500A)
      removed outlier: 6.623A  pdb=" N   ARG v  93 " --> pdb=" O   ILE v  29 " (cutoff:3.500A)
      removed outlier: 7.012A  pdb=" N   TYR v  31 " --> pdb=" O   ARG v  93 " (cutoff:3.500A)
    Processing sheet with id=AE4, first strand: chain 'v' and resid 6 through 8
      removed outlier: 5.787A  pdb=" N   ALA v  36 " --> pdb=" O   GLY v  32 " (cutoff:3.500A)
      removed outlier: 6.402A  pdb=" N   GLY v  32 " --> pdb=" O   ALA v  36 " (cutoff:3.500A)
      removed outlier: 8.897A  pdb=" N   LYS v  25 " --> pdb=" O   GLN v  87 " (cutoff:3.500A)
      removed outlier: 10.034A  pdb=" N   ILE v  89 " --> pdb=" O   LYS v  25 " (cutoff:3.500A)
      removed outlier: 8.461A  pdb=" N   PHE v  91 " --> pdb=" O   PRO v  27 " (cutoff:3.500A)
      removed outlier: 6.326A  pdb=" N   ILE v  29 " --> pdb=" O   PHE v  91 " (cutoff:3.500A)
      removed outlier: 6.623A  pdb=" N   ARG v  93 " --> pdb=" O   ILE v  29 " (cutoff:3.500A)
      removed outlier: 7.012A  pdb=" N   TYR v  31 " --> pdb=" O   ARG v  93 " (cutoff:3.500A)
      removed outlier: 3.551A  pdb=" N   HIS v  88 " --> pdb=" O   GLN v  78 " (cutoff:3.500A)
    Processing sheet with id=AE5, first strand: chain 'w' and resid 18 through 19
      removed outlier: 6.863A  pdb=" N   LEU w  55 " --> pdb=" O   ILE w  33 " (cutoff:3.500A)
    Processing sheet with id=AE6, first strand: chain 'w' and resid 26 through 27
      removed outlier: 3.516A  pdb=" N   GLY w  61 " --> pdb=" O   VAL w  27 " (cutoff:3.500A)
      removed outlier: 7.353A  pdb=" N   HIS w  42 " --> pdb=" O   ILE w  76 " (cutoff:3.500A)
      removed outlier: 9.290A  pdb=" N   ILE w  78 " --> pdb=" O   HIS w  42 " (cutoff:3.500A)
    Processing sheet with id=AE7, first strand: chain 'x' and resid 12 through 15
    Processing sheet with id=AE8, first strand: chain 'x' and resid 32 through 39
      removed outlier: 3.540A  pdb=" N   ARG x  44 " --> pdb=" O   VAL x  39 " (cutoff:3.500A)
    Processing sheet with id=AE9, first strand: chain 'z' and resid 34 through 38
    Processing sheet with id=AF1, first strand: chain 'B' and resid 47 through 48
    Processing sheet with id=AF2, first strand: chain 'C' and resid 19 through 24
      removed outlier: 3.548A  pdb=" N   THR C  22 " --> pdb=" O   ILE C   8 " (cutoff:3.500A)
    Processing sheet with id=AF3, first strand: chain 'C' and resid 36 through 39
    Processing sheet with id=AF4, first strand: chain 'E' and resid 14 through 15
    Processing sheet with id=AF5, first strand: chain 'F' and resid 15 through 17
    Processing sheet with id=AF6, first strand: chain 'G' and resid 15 through 18
      removed outlier: 6.099A  pdb=" N   PHE G  15 " --> pdb=" O   ILE G  40 " (cutoff:3.500A)
      removed outlier: 6.277A  pdb=" N   ILE G  40 " --> pdb=" O   PHE G  15 " (cutoff:3.500A)
      removed outlier: 4.847A  pdb=" N   HIS G  17 " --> pdb=" O   HIS G  38 " (cutoff:3.500A)
      removed outlier: 6.109A  pdb=" N   VAL G  37 " --> pdb=" O   ALA G  33 " (cutoff:3.500A)
      removed outlier: 4.671A  pdb=" N   ALA G  33 " --> pdb=" O   VAL G  37 " (cutoff:3.500A)
      removed outlier: 6.878A  pdb=" N   ILE G  39 " --> pdb=" O   PHE G  31 " (cutoff:3.500A)
    Processing sheet with id=AF7, first strand: chain 'G' and resid 67 through 69
    Processing sheet with id=AF8, first strand: chain 'G' and resid 160 through 163
      removed outlier: 6.733A  pdb=" N   VAL G 182 " --> pdb=" O   PHE G 197 " (cutoff:3.500A)
    Processing sheet with id=AF9, first strand: chain 'H' and resid 19 through 20
      removed outlier: 3.502A  pdb=" N   ARG H  53 " --> pdb=" O   HIS H  68 " (cutoff:3.500A)
      removed outlier: 6.979A  pdb=" N   ILE H  63 " --> pdb=" O   GLN H  99 " (cutoff:3.500A)
      removed outlier: 7.866A  pdb=" N   ASN H 101 " --> pdb=" O   ILE H  63 " (cutoff:3.500A)
      removed outlier: 6.884A  pdb=" N   VAL H  65 " --> pdb=" O   ASN H 101 " (cutoff:3.500A)
      removed outlier: 7.734A  pdb=" N   ALA H 103 " --> pdb=" O   VAL H  65 " (cutoff:3.500A)
      removed outlier: 5.824A  pdb=" N   ILE H  67 " --> pdb=" O   ALA H 103 " (cutoff:3.500A)
    Processing sheet with id=AG1, first strand: chain 'H' and resid 163 through 167
      removed outlier: 3.688A  pdb=" N   VAL H 152 " --> pdb=" O   GLU H 165 " (cutoff:3.500A)
      removed outlier: 3.825A  pdb=" N   ASN H 184 " --> pdb=" O   VAL H 199 " (cutoff:3.500A)
    Processing sheet with id=AG2, first strand: chain 'I' and resid 127 through 128
    Processing sheet with id=AG3, first strand: chain 'J' and resid 12 through 20
      removed outlier: 5.604A  pdb=" N   GLU J  12 " --> pdb=" O   GLY J  39 " (cutoff:3.500A)
      removed outlier: 6.901A  pdb=" N   GLY J  39 " --> pdb=" O   GLU J  12 " (cutoff:3.500A)
      removed outlier: 5.368A  pdb=" N   LEU J  14 " --> pdb=" O   VAL J  37 " (cutoff:3.500A)
      removed outlier: 6.596A  pdb=" N   VAL J  37 " --> pdb=" O   LEU J  14 " (cutoff:3.500A)
    Processing sheet with id=AG4, first strand: chain 'J' and resid 12 through 20
      removed outlier: 5.604A  pdb=" N   GLU J  12 " --> pdb=" O   GLY J  39 " (cutoff:3.500A)
      removed outlier: 6.901A  pdb=" N   GLY J  39 " --> pdb=" O   GLU J  12 " (cutoff:3.500A)
      removed outlier: 5.368A  pdb=" N   LEU J  14 " --> pdb=" O   VAL J  37 " (cutoff:3.500A)
      removed outlier: 6.596A  pdb=" N   VAL J  37 " --> pdb=" O   LEU J  14 " (cutoff:3.500A)
    Processing sheet with id=AG5, first strand: chain 'J' and resid 84 through 85
      removed outlier: 3.533A  pdb=" N   MET J  95 " --> pdb=" O   VAL J  84 " (cutoff:3.500A)
    Processing sheet with id=AG6, first strand: chain 'K' and resid 2 through 3
    Processing sheet with id=AG7, first strand: chain 'K' and resid 43 through 44
      removed outlier: 3.536A  pdb=" N   GLY K  43 " --> pdb=" O   TYR K  59 " (cutoff:3.500A)
      removed outlier: 3.691A  pdb=" N   MET K   9 " --> pdb=" O   ARG K  86 " (cutoff:3.500A)
      removed outlier: 4.803A  pdb=" N   ARG K  86 " --> pdb=" O   MET K   9 " (cutoff:3.500A)
    Processing sheet with id=AG8, first strand: chain 'L' and resid 72 through 78
      removed outlier: 3.766A  pdb=" N   VAL L  86 " --> pdb=" O   LYS L  75 " (cutoff:3.500A)
      removed outlier: 3.880A  pdb=" N   TYR L  84 " --> pdb=" O   ARG L  77 " (cutoff:3.500A)
    Processing sheet with id=AG9, first strand: chain 'M' and resid 23 through 27
      removed outlier: 3.875A  pdb=" N   GLU M  51 " --> pdb=" O   GLU M  57 " (cutoff:3.500A)
      removed outlier: 4.461A  pdb=" N   THR M  61 " --> pdb=" O   ASP M  47 " (cutoff:3.500A)
      removed outlier: 5.425A  pdb=" N   ASP M  47 " --> pdb=" O   THR M  61 " (cutoff:3.500A)
    Processing sheet with id=AH1, first strand: chain 'M' and resid 74 through 76
      removed outlier: 7.001A  pdb=" N   VAL M 102 " --> pdb=" O   ILE M 125 " (cutoff:3.500A)
      removed outlier: 4.959A  pdb=" N   TYR M 127 " --> pdb=" O   ILE M 100 " (cutoff:3.500A)
      removed outlier: 6.975A  pdb=" N   ILE M 100 " --> pdb=" O   TYR M 127 " (cutoff:3.500A)
    Processing sheet with id=AH2, first strand: chain 'N' and resid 5 through 7
      removed outlier: 3.615A  pdb=" N   GLY N   7 " --> pdb=" O   VAL N  18 " (cutoff:3.500A)
    Processing sheet with id=AH3, first strand: chain 'O' and resid 45 through 52
      removed outlier: 3.551A  pdb=" N   GLU O  47 " --> pdb=" O   ILE O  67 " (cutoff:3.500A)
      removed outlier: 3.671A  pdb=" N   VAL O  51 " --> pdb=" O   ASP O  63 " (cutoff:3.500A)
      removed outlier: 3.594A  pdb=" N   ASP O  63 " --> pdb=" O   VAL O  51 " (cutoff:3.500A)
      removed outlier: 3.545A  pdb=" N   LYS O  11 " --> pdb=" O   ASP O  97 " (cutoff:3.500A)
      removed outlier: 3.836A  pdb=" N   ASP O  97 " --> pdb=" O   LYS O  11 " (cutoff:3.500A)
    Processing sheet with id=AH4, first strand: chain 'O' and resid 45 through 52
      removed outlier: 3.551A  pdb=" N   GLU O  47 " --> pdb=" O   ILE O  67 " (cutoff:3.500A)
      removed outlier: 3.671A  pdb=" N   VAL O  51 " --> pdb=" O   ASP O  63 " (cutoff:3.500A)
      removed outlier: 3.594A  pdb=" N   ASP O  63 " --> pdb=" O   VAL O  51 " (cutoff:3.500A)
    Processing sheet with id=AH5, first strand: chain 'P' and resid 40 through 45
      removed outlier: 3.787A  pdb=" N   GLY P  42 " --> pdb=" O   ILE P  33 " (cutoff:3.500A)
      removed outlier: 7.019A  pdb=" N   VAL P  83 " --> pdb=" O   THR P 107 " (cutoff:3.500A)
      removed outlier: 4.372A  pdb=" N   ILE P 109 " --> pdb=" O   VAL P  83 " (cutoff:3.500A)
      removed outlier: 7.284A  pdb=" N   VAL P  85 " --> pdb=" O   ILE P 109 " (cutoff:3.500A)
      removed outlier: 4.647A  pdb=" N   ASP P 111 " --> pdb=" O   VAL P  85 " (cutoff:3.500A)
    Processing sheet with id=AH6, first strand: chain 'Q' and resid 28 through 31
    Processing sheet with id=AH7, first strand: chain 'Q' and resid 34 through 39
      removed outlier: 4.912A  pdb=" N   ARG Q  35 " --> pdb=" O   ARG Q  53 " (cutoff:3.500A)
    Processing sheet with id=AH8, first strand: chain 'U' and resid 34 through 35
      removed outlier: 3.604A  pdb=" N   GLU U  34 " --> pdb=" O   VAL U  21 " (cutoff:3.500A)
      removed outlier: 6.555A  pdb=" N   VAL U   2 " --> pdb=" O   THR U  66 " (cutoff:3.500A)
    Processing sheet with id=AH9, first strand: chain 'U' and resid 38 through 39
    Processing sheet with id=AI1, first strand: chain 'V' and resid 7 through 13
      removed outlier: 8.338A  pdb=" N   GLN V   8 " --> pdb=" O   GLU V  25 " (cutoff:3.500A)
      removed outlier: 6.240A  pdb=" N   GLU V  25 " --> pdb=" O   GLN V   8 " (cutoff:3.500A)
      removed outlier: 7.141A  pdb=" N   VAL V  21 " --> pdb=" O   VAL V  12 " (cutoff:3.500A)
      removed outlier: 4.086A  pdb=" N   TRP V  72 " --> pdb=" O   HIS V  44 " (cutoff:3.500A)
      removed outlier: 6.948A  pdb=" N   GLU V  59 " --> pdb=" O   VAL V  75 " (cutoff:3.500A)
      removed outlier: 5.879A  pdb=" N   VAL V  77 " --> pdb=" O   VAL V  57 " (cutoff:3.500A)
      removed outlier: 8.285A  pdb=" N   VAL V  57 " --> pdb=" O   VAL V  77 " (cutoff:3.500A)
      removed outlier: 3.693A  pdb=" N   LEU V   7 " --> pdb=" O   ILE V  60 " (cutoff:3.500A)
    Processing sheet with id=AI2, first strand: chain 'X' and resid 31 through 32
      removed outlier: 3.628A  pdb=" N   HIS X  51 " --> pdb=" O   THR X  32 " (cutoff:3.500A)
    Processing sheet with id=AI3, first strand: chain 'a' and resid 170 through 177
      removed outlier: 7.192A  pdb=" N   VAL a  42 " --> pdb=" O   ILE a 175 " (cutoff:3.500A)
      removed outlier: 3.578A  pdb=" N   LYS a 211 " --> pdb=" O   ASN a  47 " (cutoff:3.500A)
    Processing sheet with id=AI4, first strand: chain 'a' and resid 60 through 64

    1621 hydrogen bonds defined for protein.
    4485 hydrogen bond angles defined for protein.
    Restraints generated for nucleic acids:
      3806 hydrogen bonds
      6126 hydrogen bond angles
      0 basepair planarities
      1517 basepair parallelities
      2794 stacking parallelities
  Total time for adding SS restraints: 263.56

  Time building geometry restraints manager: 70.30 seconds

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

  Histogram of bond lengths:
        1.22 -     1.34: 30045
        1.34 -     1.46: 66940
        1.46 -     1.58: 56348
        1.58 -     1.71: 9606
        1.71 -     1.83: 278
  Bond restraints: 163217
  Sorted by residual:
  bond pdb=" N   GLY H   1 "
       pdb=" CA  GLY H   1 "
    ideal  model  delta    sigma   weight residual
    1.451  1.493 -0.042 1.60e-02 3.91e+03 6.81e+00
  bond pdb=" CA  THR l  30 "
       pdb=" CB  THR l  30 "
    ideal  model  delta    sigma   weight residual
    1.532  1.569 -0.037 1.42e-02 4.96e+03 6.76e+00
  bond pdb=" N   GLY C   3 "
       pdb=" CA  GLY C   3 "
    ideal  model  delta    sigma   weight residual
    1.451  1.492 -0.041 1.60e-02 3.91e+03 6.47e+00
  bond pdb=" CA  THR O  32 "
       pdb=" CB  THR O  32 "
    ideal  model  delta    sigma   weight residual
    1.521  1.558 -0.037 1.48e-02 4.57e+03 6.36e+00
  bond pdb=" N   GLY a 159 "
       pdb=" CA  GLY a 159 "
    ideal  model  delta    sigma   weight residual
    1.451  1.491 -0.040 1.60e-02 3.91e+03 6.26e+00
  ... (remaining 163212 not shown)

  Histogram of bond angle deviations from ideal:
       99.57 -   106.48: 29388
      106.48 -   113.38: 96459
      113.38 -   120.29: 60527
      120.29 -   127.20: 47112
      127.20 -   134.11: 10714
  Bond angle restraints: 244200
  Sorted by residual:
  angle pdb=" N   LYS Z  45 "
        pdb=" CA  LYS Z  45 "
        pdb=" C   LYS Z  45 "
      ideal   model   delta    sigma   weight residual
     113.23  100.86   12.37 1.24e+00 6.50e-01 9.96e+01
  angle pdb=" N   LYS Z  58 "
        pdb=" CA  LYS Z  58 "
        pdb=" C   LYS Z  58 "
      ideal   model   delta    sigma   weight residual
     111.36  100.96   10.40 1.09e+00 8.42e-01 9.11e+01
  angle pdb=" N   VAL U  78 "
        pdb=" CA  VAL U  78 "
        pdb=" C   VAL U  78 "
      ideal   model   delta    sigma   weight residual
     113.07  100.14   12.93 1.37e+00 5.33e-01 8.91e+01
  angle pdb=" N   SER S   4 "
        pdb=" CA  SER S   4 "
        pdb=" C   SER S   4 "
      ideal   model   delta    sigma   weight residual
     111.82  100.93   10.89 1.16e+00 7.43e-01 8.82e+01
  angle pdb=" N   VAL P  73 "
        pdb=" CA  VAL P  73 "
        pdb=" C   VAL P  73 "
      ideal   model   delta    sigma   weight residual
     112.43  105.04    7.39 9.20e-01 1.18e+00 6.46e+01
  ... (remaining 244195 not shown)

  Histogram of dihedral angle deviations from ideal:
        0.00 -    35.69: 93380
       35.69 -    71.39: 9977
       71.39 -   107.08: 1264
      107.08 -   142.78: 9
      142.78 -   178.47: 19
  Dihedral angle restraints: 104649
    sinusoidal: 87487
      harmonic: 17162
  Sorted by residual:
  dihedral pdb=" C5'   U 11130 "
           pdb=" C4'   U 11130 "
           pdb=" C3'   U 11130 "
           pdb=" O3'   U 11130 "
      ideal   model   delta sinusoidal    sigma   weight residual
     147.00   80.46   66.54     1      8.00e+00 1.56e-02 9.03e+01
  dihedral pdb=" C4'   U 11130 "
           pdb=" C3'   U 11130 "
           pdb=" C2'   U 11130 "
           pdb=" C1'   U 11130 "
      ideal   model   delta sinusoidal    sigma   weight residual
     -35.00   31.49  -66.49     1      8.00e+00 1.56e-02 9.02e+01
  dihedral pdb=" O4'   C 2  12 "
           pdb=" C1'   C 2  12 "
           pdb=" N1    C 2  12 "
           pdb=" C2    C 2  12 "
      ideal   model   delta sinusoidal    sigma   weight residual
     200.00   29.47  170.53     1      1.50e+01 4.44e-03 8.48e+01
  ... (remaining 104646 not shown)

  Histogram of chiral volume deviations from ideal:
       0.000 -    0.090: 23485
       0.090 -    0.180: 6977
       0.180 -    0.270: 697
       0.270 -    0.360: 71
       0.360 -    0.450: 6
  Chirality restraints: 31236
  Sorted by residual:
  chirality pdb=" C3'   U 11130 "
            pdb=" C4'   U 11130 "
            pdb=" O3'   U 11130 "
            pdb=" C2'   U 11130 "
    both_signs  ideal   model   delta    sigma   weight residual
      False     -2.74   -2.29   -0.45 2.00e-01 2.50e+01 5.07e+00
  chirality pdb=" CA  ASN Z   8 "
            pdb=" N   ASN Z   8 "
            pdb=" C   ASN Z   8 "
            pdb=" CB  ASN Z   8 "
    both_signs  ideal   model   delta    sigma   weight residual
      False      2.51    2.08    0.43 2.00e-01 2.50e+01 4.58e+00
  chirality pdb=" C3'   A 31201 "
            pdb=" C4'   A 31201 "
            pdb=" O3'   A 31201 "
            pdb=" C2'   A 31201 "
    both_signs  ideal   model   delta    sigma   weight residual
      False     -2.74   -2.34   -0.40 2.00e-01 2.50e+01 4.04e+00
  ... (remaining 31233 not shown)

  Planarity restraints: 13083
  Sorted by residual:
                                 delta    sigma   weight rms_deltas residual
  plane pdb=" C1'   G 1  27 "   -0.108 2.00e-02 2.50e+03   4.57e-02 6.27e+01
        pdb=" N9    G 1  27 "    0.006 2.00e-02 2.50e+03
        pdb=" C8    G 1  27 "    0.053 2.00e-02 2.50e+03
        pdb=" N7    G 1  27 "    0.048 2.00e-02 2.50e+03
        pdb=" C5    G 1  27 "    0.018 2.00e-02 2.50e+03
        pdb=" C6    G 1  27 "   -0.024 2.00e-02 2.50e+03
        pdb=" O6    G 1  27 "   -0.067 2.00e-02 2.50e+03
        pdb=" N1    G 1  27 "   -0.020 2.00e-02 2.50e+03
        pdb=" C2    G 1  27 "    0.011 2.00e-02 2.50e+03
        pdb=" N2    G 1  27 "    0.029 2.00e-02 2.50e+03
        pdb=" N3    G 1  27 "    0.027 2.00e-02 2.50e+03
        pdb=" C4    G 1  27 "    0.027 2.00e-02 2.50e+03
                                 delta    sigma   weight rms_deltas residual
  plane pdb=" C1'   G 1 775 "    0.098 2.00e-02 2.50e+03   4.10e-02 5.04e+01
        pdb=" N9    G 1 775 "   -0.006 2.00e-02 2.50e+03
        pdb=" C8    G 1 775 "   -0.045 2.00e-02 2.50e+03
        pdb=" N7    G 1 775 "   -0.041 2.00e-02 2.50e+03
        pdb=" C5    G 1 775 "   -0.017 2.00e-02 2.50e+03
        pdb=" C6    G 1 775 "    0.019 2.00e-02 2.50e+03
        pdb=" O6    G 1 775 "    0.062 2.00e-02 2.50e+03
        pdb=" N1    G 1 775 "    0.015 2.00e-02 2.50e+03
        pdb=" C2    G 1 775 "   -0.012 2.00e-02 2.50e+03
        pdb=" N2    G 1 775 "   -0.019 2.00e-02 2.50e+03
        pdb=" N3    G 1 775 "   -0.029 2.00e-02 2.50e+03
        pdb=" C4    G 1 775 "   -0.026 2.00e-02 2.50e+03
                                 delta    sigma   weight rms_deltas residual
  plane pdb=" C1'   A 11773 "    0.097 2.00e-02 2.50e+03   4.06e-02 4.52e+01
        pdb=" N9    A 11773 "   -0.011 2.00e-02 2.50e+03
        pdb=" C8    A 11773 "   -0.040 2.00e-02 2.50e+03
        pdb=" N7    A 11773 "   -0.025 2.00e-02 2.50e+03
        pdb=" C5    A 11773 "   -0.010 2.00e-02 2.50e+03
        pdb=" C6    A 11773 "    0.018 2.00e-02 2.50e+03
        pdb=" N6    A 11773 "    0.052 2.00e-02 2.50e+03
        pdb=" N1    A 11773 "    0.012 2.00e-02 2.50e+03
        pdb=" C2    A 11773 "   -0.016 2.00e-02 2.50e+03
        pdb=" N3    A 11773 "   -0.041 2.00e-02 2.50e+03
        pdb=" C4    A 11773 "   -0.034 2.00e-02 2.50e+03
  ... (remaining 13080 not shown)

  Histogram of nonbonded interaction distances:
        1.31 -     2.03: 2
        2.03 -     2.75: 16099
        2.75 -     3.46: 196075
        3.46 -     4.18: 480329
        4.18 -     4.90: 656733
  Nonbonded interactions: 1349238
  Sorted by model distance:
  nonbonded pdb=" O3'   A 7  77 "
            pdb=" C   PHE 7 101 "
     model   vdw
     1.309 3.270
  nonbonded pdb=" N   PHE 7 101 "
            pdb=" C   MET 7 102 "
     model   vdw
     1.327 3.350
  nonbonded pdb=" O3'   A 7  77 "
            pdb=" O   PHE 7 101 "
     model   vdw
     2.248 3.040
  nonbonded pdb=" O   THR R  54 "
            pdb=" OD1 ASP R  57 "
     model   vdw
     2.256 3.040
  nonbonded pdb=" OG  SER l  42 "
            pdb=" OP2   C 1 672 "
     model   vdw
     2.268 2.440
  ... (remaining 1349233 not shown)

  NOTE: a complete listing of the restraints can be obtained by requesting
        output of .geo file.
Find NCS groups from input model
Found NCS groups:
ncs_group {
  reference = chain '5'
  selection = chain '6'
}

Set up NCS constraints
  No NCS constraints will be used in refinement.
Set refine NCS operators
Adjust number of macro_cycles
  Number of macro_cycles: 10
Reset NCS operators
Extract rigid body selections
Check and reset occupancies
  Occupancies: min=0.50 max=1.00 mean=1.00
Load rotamer database and sin/cos tables
Set ADP refinement strategy
  ADPs will be refined as individual isotropic
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:             2.010
  Set stop_for_unknowns flag:              0.000
  Assert model is a single copy model:     0.000
  Assert all atoms have isotropic ADPs:    0.010
  Construct map_model_manager:             0.180
  Extract box with map and model:          10.880
  Check model and map are aligned:         1.700
  Set scattering table:                    1.100
  Process input model:                     552.000
  Find NCS groups from input model:        3.150
  Set up NCS constraints:                  0.440
  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:             0.020
  Load rotamer database and sin/cos tables:11.210
  Set ADP refinement strategy:             0.000
  Make a string to write initial .geo file:0.000
  Internal consistency checks:             0.000
  Total:  582.700
-------------------------------------------------------------------------------
Set refinement monitor
**********************
-------------------------------------------------------------------------------
Setup refinement engine
***********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8266
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      :  0.006   0.042 163217  Z= 0.353
  Angle     :  0.943  12.933 244200  Z= 0.632
  Chirality :  0.079   0.450  31236
  Planarity :  0.007   0.096  13083
  Dihedral  : 22.157 178.471  93573
  Min Nonbonded Distance : 1.309

Molprobity Statistics.
  All-atom Clashscore : 10.30
  Ramachandran Plot:
    Outliers :  1.89 %
    Allowed  : 10.32 %
    Favored  : 87.79 %
  Rotamer:
    Outliers :  0.96 %
    Allowed  :  6.52 %
    Favored  : 92.53 %
  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: -4.88 (0.08), residues: 5919
  helix: -3.91 (0.07), residues: 1779
  sheet: -2.81 (0.14), residues: 1041
  loop : -2.96 (0.09), residues: 3099

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.049   0.006   TRP b 212 
 HIS   0.002   0.000   HIS b 231 
 PHE   0.033   0.005   PHE G  89 
 TYR   0.052   0.007   TYR s  38 
 ARG   0.009   0.001   ARG O  72 

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

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

  11838 Ramachandran restraints generated.
    5919 Oldfield, 0 Emsley, 5919 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  11838 Ramachandran restraints generated.
    5919 Oldfield, 0 Emsley, 5919 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  2279 residues out of total 4910 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 47
    poor density    : 2232
  time to evaluate  : 6.528 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
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   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
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   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: 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: b   65 ASP cc_start: 0.7555 (t0) cc_final: 0.7221 (t0)
REVERT: b  142 ASN cc_start: 0.9015 (t0) cc_final: 0.8650 (t0)
REVERT: c   28 GLU cc_start: 0.7799 (tp30) cc_final: 0.7371 (tp30)
REVERT: c   33 ARG cc_start: 0.8557 (ptp90) cc_final: 0.8188 (ptp90)
REVERT: c  137 SER cc_start: 0.8721 (m) cc_final: 0.8422 (p)
REVERT: d   24 ASN cc_start: 0.9120 (t0) cc_final: 0.8846 (t0)
REVERT: d   35 TYR cc_start: 0.8521 (t80) cc_final: 0.8223 (t80)
REVERT: d  111 GLU cc_start: 0.8285 (tp30) cc_final: 0.7904 (tp30)
REVERT: d  130 LYS cc_start: 0.8710 (mmtm) cc_final: 0.8481 (mmmm)
REVERT: d  155 GLU cc_start: 0.7633 (pm20) cc_final: 0.7248 (tm-30)
REVERT: d  163 ASN cc_start: 0.8611 (t0) cc_final: 0.8395 (t0)
REVERT: d  168 ASP cc_start: 0.8487 (t0) cc_final: 0.7986 (t0)
REVERT: d  179 SER cc_start: 0.8128 (m) cc_final: 0.7879 (p)
REVERT: d  198 GLU cc_start: 0.8294 (mp0) cc_final: 0.7962 (mp0)
REVERT: e   10 GLU cc_start: 0.8153 (tm-30) cc_final: 0.7764 (tm-30)
REVERT: e   33 ILE cc_start: 0.8206 (mt) cc_final: 0.7992 (mt)
REVERT: e   37 MET cc_start: 0.7547 (tpt) cc_final: 0.7172 (ttm)
REVERT: e   77 LYS cc_start: 0.9040 (mttp) cc_final: 0.8652 (tppt)
REVERT: e   98 PHE cc_start: 0.8143 (t80) cc_final: 0.7907 (t80)
REVERT: e  102 LEU cc_start: 0.9368 (mt) cc_final: 0.9149 (mp)
REVERT: e  103 ILE cc_start: 0.9364 (pt) cc_final: 0.9135 (pt)
REVERT: e  126 ASN cc_start: 0.7778 (p0) cc_final: 0.6940 (p0)
REVERT: e  132 ARG cc_start: 0.8074 (tpp-160) cc_final: 0.7611 (mtt-85)
REVERT: e  173 ASP cc_start: 0.8296 (m-30) cc_final: 0.7817 (p0)
REVERT: f   21 GLN cc_start: 0.7474 (tp40) cc_final: 0.6430 (tp40)
REVERT: f   70 LEU cc_start: 0.8732 (mm) cc_final: 0.8522 (tm)
REVERT: f   86 LEU cc_start: 0.8902 (mt) cc_final: 0.8637 (mm)
REVERT: f  129 GLU cc_start: 0.8285 (tp30) cc_final: 0.7971 (tp30)
REVERT: g   22 LYS cc_start: 0.8441 (mttp) cc_final: 0.8078 (mtmt)
REVERT: g   41 LYS cc_start: 0.8305 (mmmt) cc_final: 0.7333 (pmtt)
REVERT: g   42 LYS cc_start: 0.8753 (tppt) cc_final: 0.8408 (tppp)
REVERT: g   55 GLU cc_start: 0.8173 (tm-30) cc_final: 0.7737 (tm-30)
REVERT: h    1 MET cc_start: 0.6487 (tmm) cc_final: 0.5530 (tmt)
REVERT: h   38 MET cc_start: 0.4838 (mmt) cc_final: 0.3020 (mpt)
REVERT: h   60 LEU cc_start: 0.7791 (tp) cc_final: 0.7502 (mp)
REVERT: j   16 TYR cc_start: 0.8736 (m-80) cc_final: 0.8434 (m-80)
REVERT: j   53 TYR cc_start: 0.8680 (m-80) cc_final: 0.8420 (m-80)
REVERT: j   75 TYR cc_start: 0.8340 (m-80) cc_final: 0.8138 (m-80)
REVERT: j   96 ARG cc_start: 0.7754 (pmt-80) cc_final: 0.7509 (pmt170)
REVERT: k  100 PHE cc_start: 0.8078 (m-80) cc_final: 0.7877 (m-80)
REVERT: k  104 THR cc_start: 0.9585 (OUTLIER) cc_final: 0.9265 (p)
REVERT: k  112 PHE cc_start: 0.8773 (m-80) cc_final: 0.8561 (m-10)
REVERT: l   77 ILE cc_start: 0.9415 (pt) cc_final: 0.9012 (pp)
REVERT: l  123 ARG cc_start: 0.7929 (ttm170) cc_final: 0.7598 (ttm170)
REVERT: m   45 GLN cc_start: 0.8952 (mt0) cc_final: 0.8711 (mt0)
REVERT: m   47 GLU cc_start: 0.8432 (tm-30) cc_final: 0.7717 (tp30)
REVERT: m   66 ARG cc_start: 0.8440 (mmm-85) cc_final: 0.8236 (mmm-85)
REVERT: m  103 TYR cc_start: 0.8487 (m-80) cc_final: 0.8234 (m-80)
REVERT: m  104 GLU cc_start: 0.7871 (mt-10) cc_final: 0.7579 (mt-10)
REVERT: n   18 GLN cc_start: 0.8335 (tt0) cc_final: 0.8076 (tt0)
REVERT: n   31 HIS cc_start: 0.8382 (m90) cc_final: 0.8153 (m170)
REVERT: n   44 LEU cc_start: 0.9157 (tp) cc_final: 0.8928 (tt)
REVERT: n   46 ARG cc_start: 0.8249 (mtp-110) cc_final: 0.7868 (mtp85)
REVERT: n   74 GLU cc_start: 0.8046 (tt0) cc_final: 0.7767 (tt0)
REVERT: n   94 TYR cc_start: 0.9210 (m-80) cc_final: 0.8934 (m-80)
REVERT: o   33 ARG cc_start: 0.7465 (ttp80) cc_final: 0.6622 (ptp-110)
REVERT: o   68 LYS cc_start: 0.8404 (mttt) cc_final: 0.8170 (mttp)
REVERT: o   88 LYS cc_start: 0.7522 (tmtt) cc_final: 0.7177 (tptp)
REVERT: o   95 SER cc_start: 0.8483 (m) cc_final: 0.8125 (m)
REVERT: o   99 TYR cc_start: 0.8237 (t80) cc_final: 0.7877 (t80)
REVERT: o  104 GLN cc_start: 0.8998 (tt0) cc_final: 0.8713 (tt0)
REVERT: p   11 GLN cc_start: 0.8227 (mt0) cc_final: 0.7877 (mt0)
REVERT: p   23 ASP cc_start: 0.8151 (m-30) cc_final: 0.7582 (m-30)
REVERT: p   37 LYS cc_start: 0.9212 (mtmm) cc_final: 0.8898 (mmpt)
REVERT: p   77 SER cc_start: 0.9179 (t) cc_final: 0.8947 (p)
REVERT: p  110 LYS cc_start: 0.7947 (ttpt) cc_final: 0.7652 (ptmm)
REVERT: q    7 VAL cc_start: 0.8931 (p) cc_final: 0.8594 (t)
REVERT: q   96 ASP cc_start: 0.8285 (t70) cc_final: 0.7788 (t70)
REVERT: r    2 TYR cc_start: 0.8558 (p90) cc_final: 0.8276 (p90)
REVERT: r   11 GLN cc_start: 0.8732 (OUTLIER) cc_final: 0.8395 (mm-40)
REVERT: r   60 LYS cc_start: 0.8803 (mtmm) cc_final: 0.8340 (pttm)
REVERT: s    8 ARG cc_start: 0.8182 (mtp-110) cc_final: 0.7871 (mtm180)
REVERT: s   88 ARG cc_start: 0.8295 (mmm-85) cc_final: 0.7891 (mmm-85)
REVERT: t   42 GLU cc_start: 0.8424 (mt-10) cc_final: 0.7755 (mp0)
REVERT: t   69 ARG cc_start: 0.8330 (ttp-110) cc_final: 0.7793 (mtp85)
REVERT: t   84 TYR cc_start: 0.8953 (m-80) cc_final: 0.8728 (m-80)
REVERT: u    9 GLU cc_start: 0.8793 (tp30) cc_final: 0.8035 (tp30)
REVERT: u   68 ASN cc_start: 0.8608 (m110) cc_final: 0.8305 (m-40)
REVERT: u   73 ASN cc_start: 0.8290 (t0) cc_final: 0.7887 (p0)
REVERT: v    9 ARG cc_start: 0.7325 (mtp180) cc_final: 0.6878 (mtp180)
REVERT: v   41 GLU cc_start: 0.6818 (tm-30) cc_final: 0.5845 (tm-30)
REVERT: v   49 ASN cc_start: 0.7963 (m-40) cc_final: 0.7615 (m-40)
REVERT: w   25 GLU cc_start: 0.7641 (tt0) cc_final: 0.7339 (tt0)
REVERT: w   76 ILE cc_start: 0.9282 (mt) cc_final: 0.8997 (mp)
REVERT: y   17 GLU cc_start: 0.9501 (tm-30) cc_final: 0.9269 (tm-30)
REVERT: y   27 ASN cc_start: 0.9291 (m110) cc_final: 0.8946 (m110)
REVERT: y   39 GLN cc_start: 0.8013 (mt0) cc_final: 0.7533 (mt0)
REVERT: y   41 HIS cc_start: 0.8628 (p-80) cc_final: 0.8283 (p90)
REVERT: y   47 ARG cc_start: 0.8541 (ttp-110) cc_final: 0.8250 (ttm110)
REVERT: y   48 ARG cc_start: 0.7993 (mmt90) cc_final: 0.6975 (mmt180)
REVERT: y   52 ARG cc_start: 0.8611 (ttm110) cc_final: 0.8099 (mtp85)
REVERT: z   48 ASN cc_start: 0.8479 (t0) cc_final: 0.8194 (t0)
REVERT: z   53 MET cc_start: 0.8237 (ptm) cc_final: 0.7846 (ptm)
REVERT: B   14 MET cc_start: 0.8148 (mtm) cc_final: 0.7937 (mtm)
REVERT: B   42 ILE cc_start: 0.9326 (pt) cc_final: 0.9109 (pp)
REVERT: C   19 PHE cc_start: 0.8856 (p90) cc_final: 0.8600 (p90)
REVERT: C   20 TYR cc_start: 0.8285 (m-80) cc_final: 0.7367 (m-80)
REVERT: D    4 THR cc_start: 0.8885 (p) cc_final: 0.8655 (p)
REVERT: E   11 LYS cc_start: 0.8855 (mtmt) cc_final: 0.8583 (ptpp)
REVERT: E   63 TYR cc_start: 0.8312 (m-80) cc_final: 0.7880 (m-80)
REVERT: F   18 LYS cc_start: 0.8147 (tttt) cc_final: 0.7836 (ttmt)
REVERT: G    5 MET cc_start: 0.8650 (ttm) cc_final: 0.8120 (tpt)
REVERT: G    6 ARG cc_start: 0.8471 (ptm-80) cc_final: 0.7905 (tmm-80)
REVERT: G    8 MET cc_start: 0.8801 (ptp) cc_final: 0.8411 (ptt)
REVERT: G   34 ARG cc_start: 0.8651 (mmt180) cc_final: 0.7799 (mmt180)
REVERT: G   55 GLU cc_start: 0.8664 (tp30) cc_final: 0.8099 (tp30)
REVERT: G   66 ILE cc_start: 0.8670 (pt) cc_final: 0.8452 (pp)
REVERT: G   96 LEU cc_start: 0.8048 (mt) cc_final: 0.7654 (mt)
REVERT: G   99 MET cc_start: 0.8110 (mpp) cc_final: 0.7894 (mpp)
REVERT: G  141 GLU cc_start: 0.8633 (mp0) cc_final: 0.8275 (mp0)
REVERT: G  164 ASP cc_start: 0.6947 (m-30) cc_final: 0.6604 (m-30)
REVERT: G  167 HIS cc_start: 0.8901 (t70) cc_final: 0.8011 (t-90)
REVERT: G  199 ILE cc_start: 0.7933 (mt) cc_final: 0.7670 (mm)
REVERT: G  204 ASP cc_start: 0.7610 (m-30) cc_final: 0.7256 (m-30)
REVERT: G  224 ARG cc_start: 0.7642 (mtp85) cc_final: 0.7383 (tpp80)
REVERT: H   45 GLU cc_start: 0.8299 (tm-30) cc_final: 0.7803 (tm-30)
REVERT: H   57 GLU cc_start: 0.5406 (tm-30) cc_final: 0.5123 (tm-30)
REVERT: H   84 GLU cc_start: 0.8555 (tp30) cc_final: 0.8147 (tp30)
REVERT: H   86 LEU cc_start: 0.9201 (mt) cc_final: 0.8919 (mt)
REVERT: H  130 ARG cc_start: 0.7603 (mtt90) cc_final: 0.7315 (mmt90)
REVERT: H  139 ASN cc_start: 0.8402 (m110) cc_final: 0.8042 (m110)
REVERT: H  169 GLU cc_start: 0.8568 (tm-30) cc_final: 0.8162 (tp30)
REVERT: I    8 LEU cc_start: 0.7724 (mp) cc_final: 0.7104 (tp)
REVERT: I   49 ASP cc_start: 0.8350 (OUTLIER) cc_final: 0.8023 (t70)
REVERT: I   58 GLN cc_start: 0.8187 (mm110) cc_final: 0.7964 (mm110)
REVERT: I   72 ARG cc_start: 0.8137 (ttp80) cc_final: 0.7660 (ttp80)
REVERT: I   73 ASN cc_start: 0.8271 (m110) cc_final: 0.7941 (m110)
REVERT: I  120 LYS cc_start: 0.8393 (mttt) cc_final: 0.7850 (mmmt)
REVERT: I  123 MET cc_start: 0.7615 (ptp) cc_final: 0.6767 (ppp)
REVERT: I  197 HIS cc_start: 0.8011 (t70) cc_final: 0.7742 (t-90)
REVERT: J   24 VAL cc_start: 0.9186 (t) cc_final: 0.8956 (m)
REVERT: J   54 GLU cc_start: 0.7722 (tt0) cc_final: 0.6721 (tt0)
REVERT: J  121 ASN cc_start: 0.8392 (p0) cc_final: 0.7918 (p0)
REVERT: J  127 TYR cc_start: 0.8537 (m-80) cc_final: 0.7689 (m-80)
REVERT: J  159 SER cc_start: 0.8271 (t) cc_final: 0.7835 (p)
REVERT: K    1 MET cc_start: 0.7917 (mtm) cc_final: 0.7687 (mtp)
REVERT: K   18 VAL cc_start: 0.8627 (p) cc_final: 0.8384 (p)
REVERT: K   22 ILE cc_start: 0.9258 (mp) cc_final: 0.8993 (mp)
REVERT: K   56 LYS cc_start: 0.8255 (mtmt) cc_final: 0.7753 (ttmt)
REVERT: K   63 ASN cc_start: 0.7788 (t0) cc_final: 0.7476 (t0)
REVERT: K   65 GLU cc_start: 0.7808 (tt0) cc_final: 0.6869 (tp30)
REVERT: K   78 PHE cc_start: 0.9016 (m-10) cc_final: 0.8617 (m-80)
REVERT: K   90 MET cc_start: 0.7633 (mtm) cc_final: 0.7275 (mpt)
REVERT: L   10 LYS cc_start: 0.7226 (tmtt) cc_final: 0.7005 (tmtt)
REVERT: L   46 LEU cc_start: 0.9118 (tp) cc_final: 0.8890 (tp)
REVERT: L   67 ASN cc_start: 0.7071 (m-40) cc_final: 0.6822 (m-40)
REVERT: L   75 LYS cc_start: 0.8406 (mttm) cc_final: 0.7940 (mttm)
REVERT: L   96 ASN cc_start: 0.8833 (p0) cc_final: 0.8500 (p0)
REVERT: L  129 ASN cc_start: 0.9034 (p0) cc_final: 0.8821 (p0)
REVERT: L  135 LYS cc_start: 0.7741 (tttm) cc_final: 0.7271 (tmtm)
REVERT: L  139 ASP cc_start: 0.8344 (m-30) cc_final: 0.7744 (m-30)
REVERT: L  142 ARG cc_start: 0.8824 (mmt90) cc_final: 0.8207 (mmm-85)
REVERT: L  143 MET cc_start: 0.8015 (mmm) cc_final: 0.7786 (tpp)
REVERT: M    9 MET cc_start: 0.8598 (ttt) cc_final: 0.8227 (ttt)
REVERT: M   20 ASN cc_start: 0.8734 (t0) cc_final: 0.8504 (t0)
REVERT: M   26 MET cc_start: 0.8014 (ptp) cc_final: 0.7403 (ptp)
REVERT: M   28 SER cc_start: 0.8890 (t) cc_final: 0.8684 (p)
REVERT: M   37 ASN cc_start: 0.8649 (m-40) cc_final: 0.8010 (m110)
REVERT: M   41 GLU cc_start: 0.8805 (tp30) cc_final: 0.8535 (tp30)
REVERT: M   49 LYS cc_start: 0.8338 (mtmt) cc_final: 0.7859 (mtmm)
REVERT: M   87 ARG cc_start: 0.8192 (mtt-85) cc_final: 0.7704 (tpp-160)
REVERT: M  107 LYS cc_start: 0.8717 (mmtm) cc_final: 0.7864 (tmtp)
REVERT: M  117 GLN cc_start: 0.7690 (pp30) cc_final: 0.7239 (pp30)
REVERT: N   19 PHE cc_start: 0.8384 (m-80) cc_final: 0.8175 (m-10)
REVERT: N   29 ILE cc_start: 0.8251 (pt) cc_final: 0.7930 (pp)
REVERT: N   30 ASN cc_start: 0.8649 (m110) cc_final: 0.8322 (m-40)
REVERT: N   62 LEU cc_start: 0.8870 (mt) cc_final: 0.8305 (mm)
REVERT: N  119 LYS cc_start: 0.8437 (ptmm) cc_final: 0.7709 (pttp)
REVERT: O    5 ARG cc_start: 0.7414 (tpp-160) cc_final: 0.7161 (mtp85)
REVERT: P   67 GLU cc_start: 0.8688 (tt0) cc_final: 0.8437 (tt0)
REVERT: Q    4 ASN cc_start: 0.8243 (t0) cc_final: 0.7916 (t0)
REVERT: Q    5 GLN cc_start: 0.8651 (mt0) cc_final: 0.8402 (mt0)
REVERT: Q   28 GLN cc_start: 0.8769 (mp10) cc_final: 0.8566 (mp-120)
REVERT: Q  115 LYS cc_start: 0.9079 (mttt) cc_final: 0.8823 (mttm)
REVERT: R   43 LYS cc_start: 0.7338 (mtmm) cc_final: 0.6877 (mppt)
REVERT: R   62 PHE cc_start: 0.6979 (t80) cc_final: 0.6346 (t80)
REVERT: R   68 LEU cc_start: 0.8191 (tp) cc_final: 0.7873 (tp)
REVERT: R   71 GLU cc_start: 0.7877 (tp30) cc_final: 0.7543 (tp30)
REVERT: R   77 LYS cc_start: 0.9100 (tttm) cc_final: 0.8826 (ttmm)
REVERT: R   80 MET cc_start: 0.6997 (ppp) cc_final: 0.6710 (pp-130)
REVERT: R   97 ARG cc_start: 0.8153 (mmt90) cc_final: 0.7600 (mmt-90)
REVERT: R  102 LYS cc_start: 0.8616 (tttt) cc_final: 0.8205 (ttmm)
REVERT: S   46 LYS cc_start: 0.8298 (tppt) cc_final: 0.7906 (tppt)
REVERT: S   52 ARG cc_start: 0.8324 (tpp80) cc_final: 0.8116 (tpt-90)
REVERT: S   74 ARG cc_start: 0.7832 (ttm170) cc_final: 0.7277 (mtt180)
REVERT: S   81 ILE cc_start: 0.8117 (mt) cc_final: 0.7297 (mt)
REVERT: S   89 ARG cc_start: 0.7397 (mtm110) cc_final: 0.7020 (mtm110)
REVERT: T   30 LEU cc_start: 0.8974 (tt) cc_final: 0.8729 (tm)
REVERT: T   47 LYS cc_start: 0.8823 (mmtm) cc_final: 0.8279 (mtmt)
REVERT: T   64 LYS cc_start: 0.8714 (mttt) cc_final: 0.8463 (tptt)
REVERT: U   17 TYR cc_start: 0.7954 (m-80) cc_final: 0.7654 (m-80)
REVERT: U   18 GLN cc_start: 0.7928 (mp10) cc_final: 0.7495 (mp10)
REVERT: U   34 GLU cc_start: 0.8613 (pt0) cc_final: 0.8071 (pp20)
REVERT: U   63 GLN cc_start: 0.8194 (mm110) cc_final: 0.7941 (mt0)
REVERT: V    8 GLN cc_start: 0.8897 (tt0) cc_final: 0.8347 (tm-30)
REVERT: V   48 GLU cc_start: 0.8097 (pp20) cc_final: 0.7852 (pp20)
REVERT: V   60 ILE cc_start: 0.9272 (pt) cc_final: 0.8567 (mm)
REVERT: V   68 LYS cc_start: 0.8859 (tttp) cc_final: 0.8653 (ttpt)
REVERT: W   20 ILE cc_start: 0.7507 (mm) cc_final: 0.7114 (mp)
REVERT: W   37 LYS cc_start: 0.8359 (mtpt) cc_final: 0.8074 (mtpp)
REVERT: W   47 ARG cc_start: 0.7510 (mmt-90) cc_final: 0.7260 (mmp80)
REVERT: W   53 GLN cc_start: 0.8293 (mt0) cc_final: 0.7997 (pt0)
REVERT: W   58 ILE cc_start: 0.9363 (mm) cc_final: 0.9104 (mt)
REVERT: X    8 PRO cc_start: 0.7234 (Cg_exo) cc_final: 0.6793 (Cg_endo)
REVERT: X   14 LEU cc_start: 0.8570 (tp) cc_final: 0.8355 (tm)
REVERT: X   18 VAL cc_start: 0.8160 (t) cc_final: 0.7918 (t)
REVERT: X   40 PHE cc_start: 0.7812 (m-80) cc_final: 0.7494 (m-80)
REVERT: Y    8 LYS cc_start: 0.8137 (tttt) cc_final: 0.7783 (ttmt)
REVERT: Y   48 LYS cc_start: 0.9300 (pttp) cc_final: 0.8901 (pptt)
REVERT: Y   54 GLN cc_start: 0.8856 (tt0) cc_final: 0.8347 (tt0)
REVERT: Y   69 ASN cc_start: 0.8669 (m110) cc_final: 0.8371 (m-40)
REVERT: Y   70 LYS cc_start: 0.7564 (tttm) cc_final: 0.7350 (ttpp)
REVERT: Z   17 ARG cc_start: 0.7136 (ttt90) cc_final: 0.6153 (ttt-90)
REVERT: Z   20 ARG cc_start: 0.6652 (ptp-170) cc_final: 0.6235 (tmt170)
REVERT: a   33 LEU cc_start: 0.6194 (mt) cc_final: 0.5684 (pt)
  outliers start: 47
  outliers final: 21
  residues processed: 2253
  average time/residue: 2.2089
  time to fit residues: 7100.7801
Evaluate side-chains
  1695 residues out of total 4910 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 24
    poor density    : 1671
  time to evaluate  : 6.359 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain b residue  143 VAL
Chi-restraints excluded: chain e residue   43 ILE
Chi-restraints excluded: chain e residue  141 ASP
Chi-restraints excluded: chain f residue  146 ASP
Chi-restraints excluded: chain g residue  146 VAL
Chi-restraints excluded: chain h residue   82 ILE
Chi-restraints excluded: chain i residue  117 THR
Chi-restraints excluded: chain k residue   58 LEU
Chi-restraints excluded: chain k residue  104 THR
Chi-restraints excluded: chain l residue   93 ASN
Chi-restraints excluded: chain m residue   95 LEU
Chi-restraints excluded: chain o residue  108 ASP
Chi-restraints excluded: chain p residue   83 ILE
Chi-restraints excluded: chain r residue   11 GLN
Chi-restraints excluded: chain E residue   54 LEU
Chi-restraints excluded: chain G residue   81 ASP
Chi-restraints excluded: chain I residue   49 ASP
Chi-restraints excluded: chain J residue  130 THR
Chi-restraints excluded: chain K residue    6 ILE
Chi-restraints excluded: chain O residue   18 ILE
Chi-restraints excluded: chain Q residue   51 VAL
Chi-restraints excluded: chain U residue   23 ASP
Chi-restraints excluded: chain Z residue   37 TYR
Chi-restraints excluded: chain a residue    8 MET
Rotamers are restrained with sigma=5.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 1057
   random chunks:
   chunk 892 optimal weight:   10.0000
   chunk 801 optimal weight:    8.9990
   chunk 444 optimal weight:    6.9990
   chunk 273 optimal weight:    0.0470
   chunk 540 optimal weight:    4.9990
   chunk 428 optimal weight:    6.9990
   chunk 828 optimal weight:   10.0000
   chunk 320 optimal weight:    9.9990
   chunk 503 optimal weight:    3.9990
   chunk 616 optimal weight:   10.0000
   chunk 959 optimal weight:    9.9990
   overall best weight:    4.6086

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

Flipped N/Q/H residues before XYZ refinement:
b  45 ASN
b  85 ASN
b 116 GLN
b 133 ASN
** c  94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
** c 164 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
d  30 GLN
d  97 ASN
e 126 ASN
** e 134 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
f  37 ASN
f  44 HIS
f  47 ASN
f 110 HIS
** g   2 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
** g  73 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** h  57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
i   5 GLN
i  29 GLN
** i  42 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** j  40 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
j  80 HIS
j 128 ASN
j 135 GLN
j 136 GLN
l   4 ASN
l  93 ASN
m   3 GLN
m  13 HIS
n   3 HIS
n  81 ASN
o  38 GLN
o  61 GLN
p  11 GLN
p  74 GLN
q  36 GLN
q  71 ASN
r  11 GLN
r  12 HIS
** t  48 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
t  59 ASN
u  39 ASN
u  68 ASN
u  73 ASN
v  24 ASN
B   5 ASN
D  13 ASN
D  29 GLN
G  57 ASN
G 145 ASN
G 167 HIS
H   2 GLN
H  31 ASN
H 122 GLN
** H 184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
I  39 GLN
I  73 ASN
** I 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
I 139 ASN
I 151 GLN
J  76 ASN
J 145 ASN
** K  11 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
L 141 HIS
L 147 ASN
M  37 ASN
N  49 GLN
N  80 HIS
N 109 GLN
O  58 ASN
P  23 HIS
** Q   4 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
Q  71 HIS
** S   3 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
S  48 GLN
S  59 GLN
T  27 GLN
** T  45 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
T  61 GLN
U  26 ASN
U  63 GLN
V  50 ASN
X  51 HIS
** Y   2 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
Y  12 GLN
Y  74 HIS
Y  83 ASN
a  20 GLN
a 203 GLN

Total number of N/Q/H flips: 73

-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8305
moved from start:          0.2041

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.005   0.060 163217  Z= 0.302
  Angle     :  0.691  13.518 244200  Z= 0.358
  Chirality :  0.041   0.377  31236
  Planarity :  0.006   0.072  13083
  Dihedral  : 22.779 179.761  81809
  Min Nonbonded Distance : 2.044

Molprobity Statistics.
  All-atom Clashscore : 12.72
  Ramachandran Plot:
    Outliers :  0.32 %
    Allowed  :  7.82 %
    Favored  : 91.86 %
  Rotamer:
    Outliers :  7.01 %
    Allowed  : 23.20 %
    Favored  : 69.80 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.02 %

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: -3.38 (0.10), residues: 5919
  helix: -2.03 (0.10), residues: 1820
  sheet: -2.08 (0.15), residues: 1002
  loop : -2.44 (0.10), residues: 3097

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.027   0.002   TRP L 102 
 HIS   0.006   0.001   HIS O  70 
 PHE   0.029   0.002   PHE s  75 
 TYR   0.020   0.002   TYR j 125 
 ARG   0.010   0.001   ARG l   2 

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

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

  11838 Ramachandran restraints generated.
    5919 Oldfield, 0 Emsley, 5919 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  11838 Ramachandran restraints generated.
    5919 Oldfield, 0 Emsley, 5919 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  2159 residues out of total 4910 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 344
    poor density    : 1815
  time to evaluate  : 6.637 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: 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: b   44 ASN cc_start: 0.8381 (OUTLIER) cc_final: 0.8002 (OUTLIER)
REVERT: b   65 ASP cc_start: 0.7519 (t0) cc_final: 0.7275 (t0)
REVERT: b   81 GLU cc_start: 0.7651 (OUTLIER) cc_final: 0.7444 (mt-10)
REVERT: c   13 ARG cc_start: 0.8830 (OUTLIER) cc_final: 0.7105 (ptt-90)
REVERT: c   28 GLU cc_start: 0.7817 (tp30) cc_final: 0.7261 (tp30)
REVERT: c   59 ARG cc_start: 0.8333 (tpm170) cc_final: 0.7787 (tpp-160)
REVERT: c  137 SER cc_start: 0.8776 (m) cc_final: 0.8406 (p)
REVERT: d   24 ASN cc_start: 0.8982 (t0) cc_final: 0.8677 (t0)
REVERT: d   35 TYR cc_start: 0.8425 (t80) cc_final: 0.8174 (t80)
REVERT: d  111 GLU cc_start: 0.8339 (tp30) cc_final: 0.7852 (tp30)
REVERT: d  130 LYS cc_start: 0.8637 (mmtm) cc_final: 0.8237 (mmtm)
REVERT: d  132 LYS cc_start: 0.8289 (tttm) cc_final: 0.7896 (ttpm)
REVERT: d  144 GLU cc_start: 0.8368 (pm20) cc_final: 0.8152 (pm20)
REVERT: d  152 GLU cc_start: 0.7822 (tp30) cc_final: 0.7491 (mm-30)
REVERT: d  163 ASN cc_start: 0.8656 (t0) cc_final: 0.8438 (t0)
REVERT: d  168 ASP cc_start: 0.8574 (t0) cc_final: 0.8045 (t0)
REVERT: d  198 GLU cc_start: 0.8296 (mp0) cc_final: 0.7928 (mp0)
REVERT: e    6 TYR cc_start: 0.8469 (t80) cc_final: 0.8145 (t80)
REVERT: e   31 GLU cc_start: 0.7076 (pm20) cc_final: 0.6865 (pm20)
REVERT: e   77 LYS cc_start: 0.8947 (mttp) cc_final: 0.8529 (tppt)
REVERT: e  139 GLU cc_start: 0.7680 (mp0) cc_final: 0.6967 (pm20)
REVERT: e  177 ARG cc_start: 0.7768 (tmm160) cc_final: 0.7472 (tmm-80)
REVERT: f   21 GLN cc_start: 0.7851 (tp40) cc_final: 0.6793 (tp40)
REVERT: f   31 GLU cc_start: 0.9239 (tm-30) cc_final: 0.8730 (tp30)
REVERT: f   38 ASP cc_start: 0.8544 (p0) cc_final: 0.8158 (p0)
REVERT: f   86 LEU cc_start: 0.8873 (mt) cc_final: 0.8525 (mm)
REVERT: f  152 ARG cc_start: 0.7825 (mmm-85) cc_final: 0.7383 (mmp80)
REVERT: g   42 LYS cc_start: 0.8851 (tppt) cc_final: 0.8643 (tppp)
REVERT: h    1 MET cc_start: 0.6428 (tmm) cc_final: 0.5226 (tmt)
REVERT: h   38 MET cc_start: 0.4860 (mmt) cc_final: 0.2960 (mpt)
REVERT: h   60 LEU cc_start: 0.7673 (tp) cc_final: 0.7409 (mp)
REVERT: j   16 TYR cc_start: 0.8720 (m-80) cc_final: 0.8435 (m-80)
REVERT: j   75 TYR cc_start: 0.8355 (m-80) cc_final: 0.8071 (m-80)
REVERT: k   29 HIS cc_start: 0.8077 (OUTLIER) cc_final: 0.7677 (t-90)
REVERT: k   73 ASP cc_start: 0.7838 (p0) cc_final: 0.7596 (p0)
REVERT: k  112 PHE cc_start: 0.8711 (m-80) cc_final: 0.8433 (m-10)
REVERT: l   47 ARG cc_start: 0.8584 (OUTLIER) cc_final: 0.7336 (ptt90)
REVERT: l   77 ILE cc_start: 0.9276 (pt) cc_final: 0.8874 (pp)
REVERT: l  143 GLU cc_start: 0.6424 (pp20) cc_final: 0.6216 (pp20)
REVERT: m   44 ARG cc_start: 0.7900 (mmt90) cc_final: 0.7542 (mmm-85)
REVERT: m   47 GLU cc_start: 0.8066 (tm-30) cc_final: 0.7683 (tp30)
REVERT: m   55 ARG cc_start: 0.8616 (tpp-160) cc_final: 0.8360 (tpp-160)
REVERT: m  103 TYR cc_start: 0.8507 (m-80) cc_final: 0.8285 (m-80)
REVERT: m  136 MET cc_start: 0.7367 (ptp) cc_final: 0.6795 (pmm)
REVERT: n   44 LEU cc_start: 0.9187 (tp) cc_final: 0.8858 (tt)
REVERT: n   74 GLU cc_start: 0.8019 (tt0) cc_final: 0.7781 (tt0)
REVERT: n   94 TYR cc_start: 0.9254 (m-80) cc_final: 0.8982 (m-80)
REVERT: o   19 GLN cc_start: 0.7879 (pt0) cc_final: 0.7605 (pt0)
REVERT: o   48 LEU cc_start: 0.8785 (mm) cc_final: 0.8266 (pt)
REVERT: o   68 LYS cc_start: 0.8349 (mttt) cc_final: 0.8035 (mttp)
REVERT: o   76 LYS cc_start: 0.8942 (tttt) cc_final: 0.8715 (tmmm)
REVERT: o   87 ILE cc_start: 0.9293 (mm) cc_final: 0.9079 (mp)
REVERT: o   88 LYS cc_start: 0.7579 (tmtt) cc_final: 0.7306 (tptp)
REVERT: p   23 ASP cc_start: 0.8167 (m-30) cc_final: 0.7782 (m-30)
REVERT: p   99 LEU cc_start: 0.9261 (mt) cc_final: 0.9026 (mt)
REVERT: p  110 LYS cc_start: 0.7919 (ttpt) cc_final: 0.7623 (ttpp)
REVERT: q   21 LYS cc_start: 0.8942 (OUTLIER) cc_final: 0.8552 (mtpt)
REVERT: q   80 ASN cc_start: 0.8442 (t0) cc_final: 0.8152 (t0)
REVERT: q   96 ASP cc_start: 0.8086 (t70) cc_final: 0.7567 (t0)
REVERT: r   60 LYS cc_start: 0.8758 (mtmm) cc_final: 0.8312 (pttm)
REVERT: r   71 LYS cc_start: 0.8879 (OUTLIER) cc_final: 0.8632 (tttt)
REVERT: s    8 ARG cc_start: 0.8110 (mtp-110) cc_final: 0.7811 (mtm180)
REVERT: s   70 LYS cc_start: 0.8569 (mttm) cc_final: 0.8176 (mmtm)
REVERT: s   92 ARG cc_start: 0.7679 (OUTLIER) cc_final: 0.6777 (ptm-80)
REVERT: t   42 GLU cc_start: 0.8340 (mt-10) cc_final: 0.7966 (mt-10)
REVERT: t   69 ARG cc_start: 0.8376 (ttp-110) cc_final: 0.8044 (ttt180)
REVERT: u    9 GLU cc_start: 0.8832 (tp30) cc_final: 0.8468 (tp30)
REVERT: u   36 GLU cc_start: 0.7655 (pm20) cc_final: 0.7447 (pm20)
REVERT: u   68 ASN cc_start: 0.8729 (m-40) cc_final: 0.8328 (m-40)
REVERT: v    2 PHE cc_start: 0.7717 (m-10) cc_final: 0.7445 (m-10)
REVERT: v    7 GLU cc_start: 0.7819 (pp20) cc_final: 0.6766 (pp20)
REVERT: v   41 GLU cc_start: 0.7023 (tm-30) cc_final: 0.6056 (tm-30)
REVERT: v   73 LYS cc_start: 0.8654 (mttt) cc_final: 0.7866 (tptp)
REVERT: w   25 GLU cc_start: 0.7578 (tt0) cc_final: 0.7309 (tt0)
REVERT: x   67 LEU cc_start: 0.8830 (OUTLIER) cc_final: 0.8534 (mt)
REVERT: x   71 ARG cc_start: 0.8399 (mtm180) cc_final: 0.8143 (mtm180)
REVERT: y   17 GLU cc_start: 0.9384 (tm-30) cc_final: 0.8971 (tm-30)
REVERT: y   27 ASN cc_start: 0.9073 (m110) cc_final: 0.8572 (m110)
REVERT: y   37 LEU cc_start: 0.8273 (tm) cc_final: 0.8060 (tp)
REVERT: y   38 GLN cc_start: 0.7192 (mm110) cc_final: 0.6838 (mm110)
REVERT: y   39 GLN cc_start: 0.8192 (mt0) cc_final: 0.7448 (mt0)
REVERT: y   41 HIS cc_start: 0.8627 (p-80) cc_final: 0.8073 (p-80)
REVERT: y   44 LYS cc_start: 0.8984 (tttp) cc_final: 0.8612 (ttpt)
REVERT: y   52 ARG cc_start: 0.8491 (ttm110) cc_final: 0.7974 (mtm-85)
REVERT: z   47 ILE cc_start: 0.9043 (OUTLIER) cc_final: 0.8766 (mp)
REVERT: z   48 ASN cc_start: 0.8406 (t0) cc_final: 0.8173 (t0)
REVERT: B   14 MET cc_start: 0.8179 (mtm) cc_final: 0.7909 (mtm)
REVERT: B   42 ILE cc_start: 0.9246 (pt) cc_final: 0.9045 (pp)
REVERT: D    2 LYS cc_start: 0.8914 (ttpt) cc_final: 0.8290 (ptmt)
REVERT: D    4 THR cc_start: 0.8766 (p) cc_final: 0.8544 (p)
REVERT: E   63 TYR cc_start: 0.8214 (m-80) cc_final: 0.7448 (m-80)
REVERT: F   34 LYS cc_start: 0.8570 (ttpp) cc_final: 0.8161 (ttmt)
REVERT: G    5 MET cc_start: 0.8686 (ttm) cc_final: 0.8302 (tpt)
REVERT: G    6 ARG cc_start: 0.8736 (ptm-80) cc_final: 0.8528 (ppp80)
REVERT: G    8 MET cc_start: 0.9059 (ptp) cc_final: 0.8335 (ptt)
REVERT: G   99 MET cc_start: 0.8307 (OUTLIER) cc_final: 0.8013 (mpp)
REVERT: G  107 ARG cc_start: 0.8194 (ttm170) cc_final: 0.7931 (ttp-110)
REVERT: G  167 HIS cc_start: 0.8873 (t-90) cc_final: 0.8045 (t-90)
REVERT: G  224 ARG cc_start: 0.7752 (mtp85) cc_final: 0.7419 (tpp80)
REVERT: H    6 PRO cc_start: 0.9000 (Cg_exo) cc_final: 0.8771 (Cg_endo)
REVERT: H   84 GLU cc_start: 0.8568 (tp30) cc_final: 0.7959 (tp30)
REVERT: H   88 LYS cc_start: 0.8824 (pttm) cc_final: 0.8509 (pttm)
REVERT: H  120 THR cc_start: 0.9266 (m) cc_final: 0.8823 (p)
REVERT: H  139 ASN cc_start: 0.8417 (m110) cc_final: 0.8154 (t0)
REVERT: H  151 GLU cc_start: 0.7696 (tm-30) cc_final: 0.7486 (tm-30)
REVERT: H  169 GLU cc_start: 0.8459 (tm-30) cc_final: 0.8093 (tm-30)
REVERT: I   49 ASP cc_start: 0.8243 (OUTLIER) cc_final: 0.8000 (t70)
REVERT: I   59 LYS cc_start: 0.8869 (ttmm) cc_final: 0.8614 (tmtp)
REVERT: I   72 ARG cc_start: 0.7930 (ttp80) cc_final: 0.7674 (ttp80)
REVERT: I   74 TYR cc_start: 0.8906 (m-80) cc_final: 0.8624 (m-80)
REVERT: I  110 ARG cc_start: 0.7101 (mtt-85) cc_final: 0.6830 (mmt180)
REVERT: I  120 LYS cc_start: 0.8675 (mttt) cc_final: 0.7920 (mmmt)
REVERT: I  123 MET cc_start: 0.7774 (ptp) cc_final: 0.7399 (ppp)
REVERT: I  151 GLN cc_start: 0.7533 (OUTLIER) cc_final: 0.7291 (pp30)
REVERT: J   11 GLN cc_start: 0.8040 (tt0) cc_final: 0.7822 (tt0)
REVERT: J   19 ARG cc_start: 0.8090 (OUTLIER) cc_final: 0.7834 (ttm170)
REVERT: J   72 ASN cc_start: 0.8400 (m-40) cc_final: 0.7512 (t0)
REVERT: J  127 TYR cc_start: 0.8668 (m-80) cc_final: 0.7652 (m-80)
REVERT: J  143 LEU cc_start: 0.9177 (mp) cc_final: 0.8876 (mt)
REVERT: K   17 GLN cc_start: 0.7031 (tm-30) cc_final: 0.6644 (tm-30)
REVERT: K   56 LYS cc_start: 0.8160 (mtmt) cc_final: 0.7720 (tttp)
REVERT: K   65 GLU cc_start: 0.8065 (tt0) cc_final: 0.6952 (tp30)
REVERT: K   90 MET cc_start: 0.7623 (mtm) cc_final: 0.7169 (mtp)
REVERT: L   29 LEU cc_start: 0.8997 (OUTLIER) cc_final: 0.8755 (tm)
REVERT: L   41 ILE cc_start: 0.8878 (mt) cc_final: 0.8554 (mp)
REVERT: L  102 TRP cc_start: 0.8927 (m-10) cc_final: 0.8669 (m-10)
REVERT: L  142 ARG cc_start: 0.8756 (mmt90) cc_final: 0.8423 (mmm-85)
REVERT: L  143 MET cc_start: 0.8184 (mmm) cc_final: 0.7826 (tpp)
REVERT: M   20 ASN cc_start: 0.8802 (t0) cc_final: 0.8595 (t0)
REVERT: M   25 THR cc_start: 0.7911 (OUTLIER) cc_final: 0.7682 (t)
REVERT: M   26 MET cc_start: 0.7518 (ptp) cc_final: 0.7080 (ptt)
REVERT: M   46 GLU cc_start: 0.7979 (OUTLIER) cc_final: 0.7602 (pp20)
REVERT: M  117 GLN cc_start: 0.7381 (pp30) cc_final: 0.6945 (pp30)
REVERT: N   19 PHE cc_start: 0.7977 (m-80) cc_final: 0.7712 (m-10)
REVERT: N   29 ILE cc_start: 0.8299 (pt) cc_final: 0.8019 (pp)
REVERT: N   30 ASN cc_start: 0.8762 (m110) cc_final: 0.8535 (m-40)
REVERT: N   87 MET cc_start: 0.8318 (mmp) cc_final: 0.8008 (ppp)
REVERT: N  119 LYS cc_start: 0.8347 (ptmm) cc_final: 0.7660 (ptmm)
REVERT: O    5 ARG cc_start: 0.7344 (tpp-160) cc_final: 0.6620 (tpm170)
REVERT: P   17 ASP cc_start: 0.8562 (p0) cc_final: 0.7823 (p0)
REVERT: P   33 ILE cc_start: 0.8236 (mt) cc_final: 0.7972 (mp)
REVERT: P   76 TYR cc_start: 0.8415 (m-80) cc_final: 0.8134 (m-80)
REVERT: Q    4 ASN cc_start: 0.8545 (t0) cc_final: 0.7992 (t0)
REVERT: Q   35 ARG cc_start: 0.8510 (OUTLIER) cc_final: 0.8215 (tmt90)
REVERT: Q  108 ASP cc_start: 0.8131 (OUTLIER) cc_final: 0.7893 (m-30)
REVERT: R    6 ILE cc_start: 0.8198 (OUTLIER) cc_final: 0.7721 (mm)
REVERT: R   48 SER cc_start: 0.7262 (p) cc_final: 0.6762 (p)
REVERT: R   51 GLN cc_start: 0.8903 (mt0) cc_final: 0.8350 (mp10)
REVERT: R   62 PHE cc_start: 0.6884 (t80) cc_final: 0.6572 (t80)
REVERT: R   65 GLU cc_start: 0.7599 (OUTLIER) cc_final: 0.6443 (tp30)
REVERT: R   74 MET cc_start: 0.7643 (ppp) cc_final: 0.7339 (ppp)
REVERT: R   80 MET cc_start: 0.7250 (OUTLIER) cc_final: 0.6983 (pp-130)
REVERT: R   81 ASP cc_start: 0.8135 (p0) cc_final: 0.7916 (p0)
REVERT: R  100 ARG cc_start: 0.8535 (tpt-90) cc_final: 0.8331 (tpt-90)
REVERT: R  102 LYS cc_start: 0.8660 (tttt) cc_final: 0.8425 (ttmm)
REVERT: S   18 LYS cc_start: 0.9032 (ttpt) cc_final: 0.8753 (tppt)
REVERT: S   46 LYS cc_start: 0.8403 (tppt) cc_final: 0.7982 (tppt)
REVERT: S   57 SER cc_start: 0.8204 (p) cc_final: 0.7949 (t)
REVERT: S   74 ARG cc_start: 0.7857 (ttm170) cc_final: 0.7511 (mtp85)
REVERT: S   75 LYS cc_start: 0.8861 (tppt) cc_final: 0.8626 (ttmm)
REVERT: S   89 ARG cc_start: 0.7134 (mtm110) cc_final: 0.6895 (mtp-110)
REVERT: T    3 SER cc_start: 0.9223 (p) cc_final: 0.8069 (p)
REVERT: T    9 LYS cc_start: 0.8825 (ttmt) cc_final: 0.8312 (mmpt)
REVERT: T   13 GLU cc_start: 0.7738 (tt0) cc_final: 0.7403 (tm-30)
REVERT: T   44 GLU cc_start: 0.7073 (pm20) cc_final: 0.6854 (pm20)
REVERT: T   47 LYS cc_start: 0.8611 (mmtm) cc_final: 0.8228 (mtmt)
REVERT: T   64 LYS cc_start: 0.8637 (mttt) cc_final: 0.8431 (tptt)
REVERT: U   12 LYS cc_start: 0.6866 (ttpp) cc_final: 0.6627 (tmtt)
REVERT: U   17 TYR cc_start: 0.8060 (m-80) cc_final: 0.7634 (m-80)
REVERT: U   18 GLN cc_start: 0.7803 (mp10) cc_final: 0.7329 (mp10)
REVERT: U   32 PHE cc_start: 0.8335 (p90) cc_final: 0.7943 (p90)
REVERT: U   34 GLU cc_start: 0.8515 (pt0) cc_final: 0.7832 (pp20)
REVERT: U   51 ARG cc_start: 0.8338 (tmm-80) cc_final: 0.7113 (ttm170)
REVERT: V   41 THR cc_start: 0.7749 (m) cc_final: 0.7526 (m)
REVERT: V   68 LYS cc_start: 0.8866 (tttp) cc_final: 0.8555 (ttpp)
REVERT: W   20 ILE cc_start: 0.7503 (mm) cc_final: 0.7248 (mp)
REVERT: W   37 LYS cc_start: 0.8375 (mtpt) cc_final: 0.8081 (mtpt)
REVERT: Y   54 GLN cc_start: 0.8753 (tt0) cc_final: 0.8187 (tm-30)
REVERT: Y   69 ASN cc_start: 0.8652 (m110) cc_final: 0.8336 (m-40)
REVERT: Y   70 LYS cc_start: 0.6997 (tttm) cc_final: 0.6732 (tttt)
REVERT: Y   81 GLN cc_start: 0.8083 (mm110) cc_final: 0.7782 (mm-40)
REVERT: Z   17 ARG cc_start: 0.7031 (ttt90) cc_final: 0.6080 (ttt-90)
REVERT: Z   20 ARG cc_start: 0.6717 (ptp-170) cc_final: 0.6217 (tmt170)
REVERT: Z   38 GLU cc_start: 0.7979 (tp30) cc_final: 0.7702 (tm-30)
REVERT: Z   54 ARG cc_start: 0.8363 (mtp180) cc_final: 0.8055 (tmt90)
REVERT: a   33 LEU cc_start: 0.5344 (OUTLIER) cc_final: 0.4829 (pt)
REVERT: a   48 LEU cc_start: 0.6396 (OUTLIER) cc_final: 0.6178 (tm)
  outliers start: 344
  outliers final: 152
  residues processed: 1943
  average time/residue: 2.1010
  time to fit residues: 5925.7055
Evaluate side-chains
  1807 residues out of total 4910 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 175
    poor density    : 1632
  time to evaluate  : 6.469 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain b residue   44 ASN
Chi-restraints excluded: chain b residue   48 ILE
Chi-restraints excluded: chain b residue   73 ILE
Chi-restraints excluded: chain b residue   76 VAL
Chi-restraints excluded: chain b residue   81 GLU
Chi-restraints excluded: chain b residue  117 SER
Chi-restraints excluded: chain b residue  143 VAL
Chi-restraints excluded: chain b residue  159 THR
Chi-restraints excluded: chain b residue  172 THR
Chi-restraints excluded: chain b residue  198 GLU
Chi-restraints excluded: chain b residue  258 SER
Chi-restraints excluded: chain c residue   13 ARG
Chi-restraints excluded: chain c residue   22 ILE
Chi-restraints excluded: chain c residue  126 ASN
Chi-restraints excluded: chain c residue  155 VAL
Chi-restraints excluded: chain c residue  193 VAL
Chi-restraints excluded: chain d residue   53 THR
Chi-restraints excluded: chain d residue   75 SER
Chi-restraints excluded: chain d residue  184 ASP
Chi-restraints excluded: chain d residue  187 VAL
Chi-restraints excluded: chain e residue   39 VAL
Chi-restraints excluded: chain e residue  107 VAL
Chi-restraints excluded: chain e residue  128 SER
Chi-restraints excluded: chain e residue  140 ILE
Chi-restraints excluded: chain f residue   18 ILE
Chi-restraints excluded: chain f residue   88 LEU
Chi-restraints excluded: chain f residue  112 VAL
Chi-restraints excluded: chain f residue  113 ASP
Chi-restraints excluded: chain f residue  132 LEU
Chi-restraints excluded: chain h residue    3 LEU
Chi-restraints excluded: chain h residue   82 ILE
Chi-restraints excluded: chain i residue  117 THR
Chi-restraints excluded: chain i residue  135 MET
Chi-restraints excluded: chain j residue    3 THR
Chi-restraints excluded: chain j residue   21 THR
Chi-restraints excluded: chain j residue   31 GLU
Chi-restraints excluded: chain j residue   67 ASN
Chi-restraints excluded: chain j residue   70 THR
Chi-restraints excluded: chain j residue   78 THR
Chi-restraints excluded: chain j residue   84 ILE
Chi-restraints excluded: chain j residue   88 THR
Chi-restraints excluded: chain k residue   29 HIS
Chi-restraints excluded: chain k residue   58 LEU
Chi-restraints excluded: chain k residue   61 VAL
Chi-restraints excluded: chain k residue   76 VAL
Chi-restraints excluded: chain k residue   95 ILE
Chi-restraints excluded: chain k residue  115 ILE
Chi-restraints excluded: chain l residue    3 LEU
Chi-restraints excluded: chain l residue   47 ARG
Chi-restraints excluded: chain l residue   73 ILE
Chi-restraints excluded: chain l residue  101 ILE
Chi-restraints excluded: chain m residue   12 MET
Chi-restraints excluded: chain m residue   42 THR
Chi-restraints excluded: chain m residue   74 THR
Chi-restraints excluded: chain m residue   95 LEU
Chi-restraints excluded: chain m residue  128 THR
Chi-restraints excluded: chain m residue  129 THR
Chi-restraints excluded: chain n residue   15 SER
Chi-restraints excluded: chain n residue   29 VAL
Chi-restraints excluded: chain n residue   76 VAL
Chi-restraints excluded: chain n residue  113 ILE
Chi-restraints excluded: chain o residue    8 ILE
Chi-restraints excluded: chain o residue   18 LEU
Chi-restraints excluded: chain o residue   69 ASP
Chi-restraints excluded: chain o residue   91 SER
Chi-restraints excluded: chain p residue   25 VAL
Chi-restraints excluded: chain p residue   40 GLN
Chi-restraints excluded: chain p residue   64 SER
Chi-restraints excluded: chain p residue  103 THR
Chi-restraints excluded: chain q residue   16 ILE
Chi-restraints excluded: chain q residue   17 LEU
Chi-restraints excluded: chain q residue   21 LYS
Chi-restraints excluded: chain q residue   33 VAL
Chi-restraints excluded: chain q residue   86 SER
Chi-restraints excluded: chain r residue   68 ARG
Chi-restraints excluded: chain r residue   71 LYS
Chi-restraints excluded: chain r residue   94 THR
Chi-restraints excluded: chain s residue   62 ASP
Chi-restraints excluded: chain s residue   74 ILE
Chi-restraints excluded: chain s residue   92 ARG
Chi-restraints excluded: chain s residue   99 ARG
Chi-restraints excluded: chain s residue  107 VAL
Chi-restraints excluded: chain t residue   17 SER
Chi-restraints excluded: chain t residue   31 VAL
Chi-restraints excluded: chain u residue   20 LYS
Chi-restraints excluded: chain v residue   62 THR
Chi-restraints excluded: chain w residue   12 SER
Chi-restraints excluded: chain x residue   12 VAL
Chi-restraints excluded: chain x residue   39 VAL
Chi-restraints excluded: chain x residue   67 LEU
Chi-restraints excluded: chain z residue   47 ILE
Chi-restraints excluded: chain B residue   17 SER
Chi-restraints excluded: chain B residue   24 VAL
Chi-restraints excluded: chain B residue   33 SER
Chi-restraints excluded: chain B residue   43 THR
Chi-restraints excluded: chain B residue   45 ASP
Chi-restraints excluded: chain C residue   16 THR
Chi-restraints excluded: chain D residue   41 ARG
Chi-restraints excluded: chain D residue   42 LEU
Chi-restraints excluded: chain E residue   58 ILE
Chi-restraints excluded: chain F residue   22 VAL
Chi-restraints excluded: chain G residue   79 VAL
Chi-restraints excluded: chain G residue   81 ASP
Chi-restraints excluded: chain G residue   99 MET
Chi-restraints excluded: chain G residue  126 ASP
Chi-restraints excluded: chain G residue  185 ILE
Chi-restraints excluded: chain G residue  206 ILE
Chi-restraints excluded: chain G residue  211 LEU
Chi-restraints excluded: chain H residue  123 LEU
Chi-restraints excluded: chain H residue  185 THR
Chi-restraints excluded: chain I residue   49 ASP
Chi-restraints excluded: chain I residue  151 GLN
Chi-restraints excluded: chain J residue   19 ARG
Chi-restraints excluded: chain J residue   31 SER
Chi-restraints excluded: chain J residue   35 LEU
Chi-restraints excluded: chain J residue   55 VAL
Chi-restraints excluded: chain J residue  105 ILE
Chi-restraints excluded: chain J residue  119 VAL
Chi-restraints excluded: chain J residue  121 ASN
Chi-restraints excluded: chain J residue  122 VAL
Chi-restraints excluded: chain K residue    6 ILE
Chi-restraints excluded: chain K residue   40 GLU
Chi-restraints excluded: chain K residue   47 LEU
Chi-restraints excluded: chain K residue   86 ARG
Chi-restraints excluded: chain L residue   29 LEU
Chi-restraints excluded: chain L residue   31 VAL
Chi-restraints excluded: chain L residue   58 LEU
Chi-restraints excluded: chain L residue  138 GLU
Chi-restraints excluded: chain M residue   25 THR
Chi-restraints excluded: chain M residue   46 GLU
Chi-restraints excluded: chain M residue   57 GLU
Chi-restraints excluded: chain M residue   58 LEU
Chi-restraints excluded: chain M residue   71 VAL
Chi-restraints excluded: chain M residue   91 LEU
Chi-restraints excluded: chain M residue  128 VAL
Chi-restraints excluded: chain N residue   28 VAL
Chi-restraints excluded: chain O residue   44 THR
Chi-restraints excluded: chain P residue   45 THR
Chi-restraints excluded: chain P residue   58 THR
Chi-restraints excluded: chain P residue   73 VAL
Chi-restraints excluded: chain P residue   83 VAL
Chi-restraints excluded: chain P residue   99 LEU
Chi-restraints excluded: chain P residue  113 THR
Chi-restraints excluded: chain Q residue   34 THR
Chi-restraints excluded: chain Q residue   35 ARG
Chi-restraints excluded: chain Q residue   51 VAL
Chi-restraints excluded: chain Q residue  108 ASP
Chi-restraints excluded: chain R residue    6 ILE
Chi-restraints excluded: chain R residue   65 GLU
Chi-restraints excluded: chain R residue   80 MET
Chi-restraints excluded: chain T residue   21 THR
Chi-restraints excluded: chain U residue   23 ASP
Chi-restraints excluded: chain U residue   68 SER
Chi-restraints excluded: chain V residue   15 LYS
Chi-restraints excluded: chain V residue   16 MET
Chi-restraints excluded: chain V residue   21 VAL
Chi-restraints excluded: chain V residue   56 ASP
Chi-restraints excluded: chain V residue   64 ARG
Chi-restraints excluded: chain V residue   69 THR
Chi-restraints excluded: chain V residue   82 VAL
Chi-restraints excluded: chain W residue   25 ILE
Chi-restraints excluded: chain W residue   33 THR
Chi-restraints excluded: chain W residue   35 SER
Chi-restraints excluded: chain W residue   44 THR
Chi-restraints excluded: chain X residue    3 SER
Chi-restraints excluded: chain X residue   15 LEU
Chi-restraints excluded: chain X residue   62 THR
Chi-restraints excluded: chain Y residue    5 SER
Chi-restraints excluded: chain Y residue   20 ASN
Chi-restraints excluded: chain Y residue   31 ILE
Chi-restraints excluded: chain Y residue   75 LYS
Chi-restraints excluded: chain Z residue   18 PHE
Chi-restraints excluded: chain Z residue   41 THR
Chi-restraints excluded: chain a residue   33 LEU
Chi-restraints excluded: chain a residue   48 LEU
Rotamers are restrained with sigma=4.50
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 1057
   random chunks:
   chunk 533 optimal weight:   20.0000
   chunk 297 optimal weight:    8.9990
   chunk 798 optimal weight:   10.0000
   chunk 653 optimal weight:   10.0000
   chunk 264 optimal weight:    5.9990
   chunk 961 optimal weight:   10.0000
   chunk 1038 optimal weight:   10.0000
   chunk 856 optimal weight:   10.0000
   chunk 953 optimal weight:   10.0000
   chunk 327 optimal weight:    0.9980
   chunk 771 optimal weight:   10.0000
   overall best weight:    7.1992

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

Flipped N/Q/H residues before XYZ refinement:
** b 116 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
** c 164 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
** f 115 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
** g  73 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** h  57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** i  42 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
i 106 GLN
j 135 GLN
k   9 ASN
k  93 GLN
l   4 ASN
m   3 GLN
** n   9 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
o 104 GLN
p  11 GLN
p  74 GLN
** p  76 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
q  19 GLN
** r  11 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
r  12 HIS
s  31 GLN
** t  48 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
v  24 ASN
D  29 GLN
** G  38 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
G  57 ASN
H  31 ASN
H 138 GLN
** H 184 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** I 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
I 197 HIS
** J  76 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
J 145 ASN
** K  11 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
L  27 ASN
L 141 HIS
** L 147 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
M  37 ASN
N  49 GLN
N 109 GLN
P  63 GLN
** Q   4 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
Q   5 GLN
Q  71 HIS
Q  76 HIS
Q  95 HIS
R  11 HIS
** R  99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
** R 104 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
T  34 GLN
** T  41 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
T  61 GLN
** Y   2 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
Y  74 HIS
Y  81 GLN

Total number of N/Q/H flips: 34

-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8360
moved from start:          0.2943

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.007   0.100 163217  Z= 0.439
  Angle     :  0.750  10.636 244200  Z= 0.382
  Chirality :  0.043   0.336  31236
  Planarity :  0.006   0.069  13083
  Dihedral  : 23.092 179.690  81782
  Min Nonbonded Distance : 2.040

Molprobity Statistics.
  All-atom Clashscore : 14.77
  Ramachandran Plot:
    Outliers :  0.24 %
    Allowed  : 10.00 %
    Favored  : 89.76 %
  Rotamer:
    Outliers :  9.57 %
    Allowed  : 26.19 %
    Favored  : 64.24 %
  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: -2.87 (0.10), residues: 5919
  helix: -1.28 (0.11), residues: 1823
  sheet: -1.91 (0.15), residues: 1012
  loop : -2.30 (0.10), residues: 3084

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.020   0.002   TRP b 212 
 HIS   0.011   0.002   HIS I 197 
 PHE   0.032   0.002   PHE s  75 
 TYR   0.024   0.002   TYR I 134 
 ARG   0.012   0.001   ARG s  88 

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

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

  11838 Ramachandran restraints generated.
    5919 Oldfield, 0 Emsley, 5919 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  11838 Ramachandran restraints generated.
    5919 Oldfield, 0 Emsley, 5919 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  2133 residues out of total 4910 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 470
    poor density    : 1663
  time to evaluate  : 6.600 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: 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: b   13 ARG cc_start: 0.9000 (OUTLIER) cc_final: 0.8318 (ptp-110)
REVERT: b   44 ASN cc_start: 0.8600 (OUTLIER) cc_final: 0.8195 (OUTLIER)
REVERT: b   65 ASP cc_start: 0.7597 (t0) cc_final: 0.7352 (t0)
REVERT: c   13 ARG cc_start: 0.8843 (OUTLIER) cc_final: 0.7748 (ptt-90)
REVERT: c   28 GLU cc_start: 0.7773 (tp30) cc_final: 0.7183 (tp30)
REVERT: c   59 ARG cc_start: 0.8420 (tpm170) cc_final: 0.7762 (tpp-160)
REVERT: c  106 LYS cc_start: 0.9058 (OUTLIER) cc_final: 0.8428 (mmtp)
REVERT: c  169 ARG cc_start: 0.8587 (OUTLIER) cc_final: 0.8200 (mmm160)
REVERT: d   24 ASN cc_start: 0.8956 (t0) cc_final: 0.8622 (t0)
REVERT: d   35 TYR cc_start: 0.8666 (t80) cc_final: 0.8439 (t80)
REVERT: d  111 GLU cc_start: 0.8286 (tp30) cc_final: 0.8004 (tm-30)
REVERT: d  130 LYS cc_start: 0.8801 (mmtm) cc_final: 0.8560 (mmmm)
REVERT: d  132 LYS cc_start: 0.8236 (tttm) cc_final: 0.7934 (ttpp)
REVERT: d  149 ILE cc_start: 0.8947 (OUTLIER) cc_final: 0.8651 (pp)
REVERT: d  162 ARG cc_start: 0.8314 (ttp-170) cc_final: 0.7847 (ttp-110)
REVERT: d  168 ASP cc_start: 0.8557 (t0) cc_final: 0.8086 (t0)
REVERT: d  169 VAL cc_start: 0.9147 (p) cc_final: 0.8788 (t)
REVERT: d  198 GLU cc_start: 0.8296 (mp0) cc_final: 0.8068 (mp0)
REVERT: e  129 MET cc_start: 0.8370 (ppp) cc_final: 0.8152 (ppp)
REVERT: e  177 ARG cc_start: 0.7957 (tmm160) cc_final: 0.7620 (tmm-80)
REVERT: f   21 GLN cc_start: 0.7889 (tp40) cc_final: 0.7045 (tp40)
REVERT: f   31 GLU cc_start: 0.9393 (tm-30) cc_final: 0.9145 (tm-30)
REVERT: f   38 ASP cc_start: 0.8666 (p0) cc_final: 0.8348 (p0)
REVERT: f   41 GLU cc_start: 0.7679 (tp30) cc_final: 0.7315 (tp30)
REVERT: f   43 LYS cc_start: 0.8695 (mtmm) cc_final: 0.8461 (mtmm)
REVERT: f   70 LEU cc_start: 0.8516 (OUTLIER) cc_final: 0.8272 (tm)
REVERT: f  110 HIS cc_start: 0.7682 (OUTLIER) cc_final: 0.7223 (p90)
REVERT: f  152 ARG cc_start: 0.7869 (mmm-85) cc_final: 0.7505 (mmp80)
REVERT: g    2 GLN cc_start: 0.7544 (OUTLIER) cc_final: 0.7318 (pp30)
REVERT: g   22 LYS cc_start: 0.8288 (mttp) cc_final: 0.7821 (mtmt)
REVERT: g   41 LYS cc_start: 0.8352 (mmmt) cc_final: 0.8115 (tptm)
REVERT: g   42 LYS cc_start: 0.8931 (tppt) cc_final: 0.8365 (mmtm)
REVERT: h    1 MET cc_start: 0.6707 (tmm) cc_final: 0.5758 (tmt)
REVERT: h   38 MET cc_start: 0.4844 (mmt) cc_final: 0.2840 (mpt)
REVERT: h   60 LEU cc_start: 0.7609 (tp) cc_final: 0.7326 (mp)
REVERT: h   82 ILE cc_start: 0.1019 (OUTLIER) cc_final: 0.0101 (pp)
REVERT: h   86 MET cc_start: 0.2123 (OUTLIER) cc_final: 0.1708 (tpp)
REVERT: j   75 TYR cc_start: 0.8391 (m-80) cc_final: 0.8060 (m-80)
REVERT: k   22 ILE cc_start: 0.8947 (pp) cc_final: 0.8727 (pt)
REVERT: k   29 HIS cc_start: 0.8249 (OUTLIER) cc_final: 0.7816 (t-90)
REVERT: k  105 ARG cc_start: 0.8739 (tpp80) cc_final: 0.8534 (tpp80)
REVERT: k  112 PHE cc_start: 0.8753 (m-80) cc_final: 0.8447 (m-10)
REVERT: l   47 ARG cc_start: 0.8693 (OUTLIER) cc_final: 0.7492 (ptt90)
REVERT: l   77 ILE cc_start: 0.9270 (pt) cc_final: 0.8868 (pp)
REVERT: l  143 GLU cc_start: 0.6669 (pp20) cc_final: 0.6336 (pp20)
REVERT: m   47 GLU cc_start: 0.8195 (tm-30) cc_final: 0.7887 (tp30)
REVERT: m   51 ARG cc_start: 0.8174 (OUTLIER) cc_final: 0.7876 (mpp80)
REVERT: m  103 TYR cc_start: 0.8579 (m-80) cc_final: 0.8331 (m-80)
REVERT: m  112 LEU cc_start: 0.8801 (tp) cc_final: 0.8066 (tp)
REVERT: m  115 GLU cc_start: 0.8010 (tt0) cc_final: 0.7499 (pt0)
REVERT: n   43 GLU cc_start: 0.8421 (tp30) cc_final: 0.8058 (mp0)
REVERT: n   44 LEU cc_start: 0.9239 (tp) cc_final: 0.9011 (tt)
REVERT: n   74 GLU cc_start: 0.7893 (tt0) cc_final: 0.7608 (tt0)
REVERT: n   94 TYR cc_start: 0.9366 (m-80) cc_final: 0.9071 (m-80)
REVERT: o    4 LYS cc_start: 0.8826 (OUTLIER) cc_final: 0.8428 (tptm)
REVERT: o    7 ARG cc_start: 0.8590 (OUTLIER) cc_final: 0.8061 (ttm170)
REVERT: o   19 GLN cc_start: 0.7746 (pt0) cc_final: 0.7464 (pt0)
REVERT: o   76 LYS cc_start: 0.8996 (tttt) cc_final: 0.8721 (tmmm)
REVERT: o   88 LYS cc_start: 0.7438 (tmtt) cc_final: 0.7113 (tptp)
REVERT: p    8 GLU cc_start: 0.7929 (mt-10) cc_final: 0.7657 (mt-10)
REVERT: p   23 ASP cc_start: 0.8204 (m-30) cc_final: 0.7822 (m-30)
REVERT: p   99 LEU cc_start: 0.9271 (mt) cc_final: 0.9071 (mt)
REVERT: p  110 LYS cc_start: 0.7965 (ttpt) cc_final: 0.7668 (ttpp)
REVERT: q   21 LYS cc_start: 0.8980 (OUTLIER) cc_final: 0.8529 (mtpt)
REVERT: q   80 ASN cc_start: 0.8481 (t0) cc_final: 0.8221 (t0)
REVERT: q   96 ASP cc_start: 0.8119 (t70) cc_final: 0.7643 (t70)
REVERT: r    1 MET cc_start: 0.6880 (pp-130) cc_final: 0.6667 (pp-130)
REVERT: r    6 GLN cc_start: 0.7934 (OUTLIER) cc_final: 0.7717 (tp40)
REVERT: r   13 ARG cc_start: 0.8777 (ttp80) cc_final: 0.8552 (ttp80)
REVERT: r   24 LYS cc_start: 0.8396 (OUTLIER) cc_final: 0.8172 (tttp)
REVERT: r   60 LYS cc_start: 0.8947 (mtmm) cc_final: 0.8374 (pttm)
REVERT: r   71 LYS cc_start: 0.8918 (OUTLIER) cc_final: 0.8649 (tttt)
REVERT: r   78 ARG cc_start: 0.8624 (OUTLIER) cc_final: 0.8276 (mmt90)
REVERT: s    8 ARG cc_start: 0.8086 (mtp-110) cc_final: 0.7767 (mtm180)
REVERT: s   31 GLN cc_start: 0.8928 (tm-30) cc_final: 0.8383 (tp-100)
REVERT: s   69 LEU cc_start: 0.8223 (OUTLIER) cc_final: 0.7996 (mt)
REVERT: s   92 ARG cc_start: 0.7767 (OUTLIER) cc_final: 0.6907 (ptm-80)
REVERT: s   95 ARG cc_start: 0.8414 (OUTLIER) cc_final: 0.7493 (ptp-110)
REVERT: t    5 GLU cc_start: 0.8267 (tp30) cc_final: 0.7986 (tp30)
REVERT: t   42 GLU cc_start: 0.8350 (mt-10) cc_final: 0.7778 (mt-10)
REVERT: t   44 LYS cc_start: 0.8949 (OUTLIER) cc_final: 0.8434 (ttmt)
REVERT: t   69 ARG cc_start: 0.8354 (ttp-110) cc_final: 0.7783 (mtp85)
REVERT: u    9 GLU cc_start: 0.8802 (tp30) cc_final: 0.8429 (tp30)
REVERT: u   36 GLU cc_start: 0.7797 (pm20) cc_final: 0.7484 (pm20)
REVERT: u   59 GLU cc_start: 0.8176 (tp30) cc_final: 0.7539 (tm-30)
REVERT: u   68 ASN cc_start: 0.9041 (m-40) cc_final: 0.8803 (m-40)
REVERT: v    4 ILE cc_start: 0.8781 (mp) cc_final: 0.8543 (mp)
REVERT: v    7 GLU cc_start: 0.7752 (pp20) cc_final: 0.7146 (pp20)
REVERT: v    9 ARG cc_start: 0.7016 (mmm160) cc_final: 0.6691 (mtp180)
REVERT: v   41 GLU cc_start: 0.7316 (tm-30) cc_final: 0.6414 (tm-30)
REVERT: v   53 LYS cc_start: 0.7897 (mtmt) cc_final: 0.7623 (mttt)
REVERT: w   25 GLU cc_start: 0.7580 (tt0) cc_final: 0.7340 (tt0)
REVERT: x   67 LEU cc_start: 0.8886 (OUTLIER) cc_final: 0.8682 (mt)
REVERT: y   17 GLU cc_start: 0.9280 (tm-30) cc_final: 0.8801 (tm-30)
REVERT: y   27 ASN cc_start: 0.9246 (m110) cc_final: 0.8533 (m110)
REVERT: y   30 MET cc_start: 0.8257 (mtm) cc_final: 0.8057 (mtm)
REVERT: y   31 GLN cc_start: 0.8667 (mt0) cc_final: 0.8117 (mm-40)
REVERT: y   38 GLN cc_start: 0.7288 (mm110) cc_final: 0.7009 (mm110)
REVERT: y   39 GLN cc_start: 0.8085 (mt0) cc_final: 0.7507 (mt0)
REVERT: y   44 LYS cc_start: 0.8979 (tttp) cc_final: 0.8333 (ttpt)
REVERT: y   48 ARG cc_start: 0.8132 (mmt90) cc_final: 0.7197 (mmt180)
REVERT: y   52 ARG cc_start: 0.8681 (ttm110) cc_final: 0.7917 (ttp-110)
REVERT: z   48 ASN cc_start: 0.8437 (t0) cc_final: 0.8213 (t0)
REVERT: B   14 MET cc_start: 0.8225 (mtm) cc_final: 0.7939 (mtm)
REVERT: D    2 LYS cc_start: 0.9020 (ttpt) cc_final: 0.8467 (ptmt)
REVERT: D    4 THR cc_start: 0.8615 (p) cc_final: 0.8363 (p)
REVERT: E   51 LYS cc_start: 0.8240 (pttt) cc_final: 0.8009 (pttt)
REVERT: E   63 TYR cc_start: 0.8281 (m-80) cc_final: 0.7703 (m-80)
REVERT: G    6 ARG cc_start: 0.8822 (ptm-80) cc_final: 0.8290 (ttp80)
REVERT: G    8 MET cc_start: 0.9100 (ptp) cc_final: 0.8497 (ptt)
REVERT: G   31 PHE cc_start: 0.7673 (t80) cc_final: 0.7411 (t80)
REVERT: G   48 MET cc_start: 0.6846 (mtt) cc_final: 0.6640 (mtp)
REVERT: G   99 MET cc_start: 0.8365 (OUTLIER) cc_final: 0.7848 (mpp)
REVERT: G  107 ARG cc_start: 0.8287 (ttm170) cc_final: 0.7971 (ttp-110)
REVERT: G  144 GLU cc_start: 0.7531 (OUTLIER) cc_final: 0.7183 (tt0)
REVERT: G  145 ASN cc_start: 0.8551 (m-40) cc_final: 0.8330 (OUTLIER)
REVERT: G  197 PHE cc_start: 0.7625 (m-80) cc_final: 0.7369 (m-80)
REVERT: H    6 PRO cc_start: 0.9085 (Cg_exo) cc_final: 0.8838 (Cg_endo)
REVERT: H   71 ARG cc_start: 0.7988 (OUTLIER) cc_final: 0.7090 (tpp80)
REVERT: H   84 GLU cc_start: 0.8502 (tp30) cc_final: 0.7873 (tp30)
REVERT: H   85 LYS cc_start: 0.8896 (tmtt) cc_final: 0.8689 (tptp)
REVERT: H   88 LYS cc_start: 0.8816 (pttm) cc_final: 0.8454 (pttm)
REVERT: H  139 ASN cc_start: 0.8640 (m110) cc_final: 0.8358 (t0)
REVERT: H  151 GLU cc_start: 0.7774 (tm-30) cc_final: 0.7417 (tm-30)
REVERT: H  169 GLU cc_start: 0.8423 (tm-30) cc_final: 0.7864 (tm-30)
REVERT: H  206 ILE cc_start: 0.6342 (tt) cc_final: 0.5864 (tt)
REVERT: I   49 ASP cc_start: 0.8237 (OUTLIER) cc_final: 0.7651 (t70)
REVERT: I   62 ARG cc_start: 0.8387 (mmt90) cc_final: 0.8037 (mmt90)
REVERT: I  120 LYS cc_start: 0.8076 (mttt) cc_final: 0.7556 (mmmt)
REVERT: I  123 MET cc_start: 0.7938 (ptp) cc_final: 0.7484 (ppp)
REVERT: J   11 GLN cc_start: 0.7986 (tt0) cc_final: 0.7690 (tt0)
REVERT: J  121 ASN cc_start: 0.8196 (OUTLIER) cc_final: 0.7922 (p0)
REVERT: J  143 LEU cc_start: 0.9194 (mp) cc_final: 0.8937 (mt)
REVERT: K    2 ARG cc_start: 0.7188 (OUTLIER) cc_final: 0.6732 (mtt180)
REVERT: K   56 LYS cc_start: 0.8199 (mtmt) cc_final: 0.7537 (tmtp)
REVERT: K   62 MET cc_start: 0.8477 (OUTLIER) cc_final: 0.8227 (mtp)
REVERT: K   65 GLU cc_start: 0.8044 (tt0) cc_final: 0.7479 (tm-30)
REVERT: K   78 PHE cc_start: 0.9209 (m-80) cc_final: 0.8472 (m-80)
REVERT: L   29 LEU cc_start: 0.8905 (OUTLIER) cc_final: 0.8701 (tm)
REVERT: L  123 LEU cc_start: 0.8840 (OUTLIER) cc_final: 0.8605 (mm)
REVERT: L  138 GLU cc_start: 0.7969 (mm-30) cc_final: 0.7725 (mm-30)
REVERT: L  142 ARG cc_start: 0.8927 (mmt90) cc_final: 0.8567 (mmm-85)
REVERT: L  143 MET cc_start: 0.8142 (mmm) cc_final: 0.7852 (mmm)
REVERT: M    9 MET cc_start: 0.8995 (OUTLIER) cc_final: 0.8774 (ttt)
REVERT: M   46 GLU cc_start: 0.8070 (OUTLIER) cc_final: 0.7523 (pp20)
REVERT: M   79 ARG cc_start: 0.8315 (mtm110) cc_final: 0.8098 (mtp-110)
REVERT: M   87 ARG cc_start: 0.8224 (OUTLIER) cc_final: 0.7951 (ttp-170)
REVERT: M  117 GLN cc_start: 0.7693 (pp30) cc_final: 0.7202 (pp30)
REVERT: N   29 ILE cc_start: 0.8389 (pt) cc_final: 0.8072 (pp)
REVERT: N   62 LEU cc_start: 0.9279 (mt) cc_final: 0.8956 (mm)
REVERT: N  119 LYS cc_start: 0.8453 (ptmm) cc_final: 0.7719 (ptmm)
REVERT: P   33 ILE cc_start: 0.8235 (mt) cc_final: 0.7940 (mp)
REVERT: P   63 GLN cc_start: 0.8535 (tt0) cc_final: 0.8109 (mt0)
REVERT: Q   35 ARG cc_start: 0.8485 (OUTLIER) cc_final: 0.8169 (tmt90)
REVERT: R   40 GLU cc_start: 0.6508 (mp0) cc_final: 0.6265 (mp0)
REVERT: R   62 PHE cc_start: 0.6731 (t80) cc_final: 0.6374 (t80)
REVERT: R   71 GLU cc_start: 0.7888 (tp30) cc_final: 0.7671 (tp30)
REVERT: R   85 TYR cc_start: 0.8839 (t80) cc_final: 0.8631 (t80)
REVERT: R   97 ARG cc_start: 0.7551 (mmm-85) cc_final: 0.6569 (mmt90)
REVERT: R  102 LYS cc_start: 0.8711 (tttt) cc_final: 0.8403 (ttmm)
REVERT: S   18 LYS cc_start: 0.9035 (ttpt) cc_final: 0.8814 (tppt)
REVERT: S   46 LYS cc_start: 0.8362 (tppt) cc_final: 0.7718 (tppp)
REVERT: S   75 LYS cc_start: 0.8889 (tppt) cc_final: 0.8637 (ttmm)
REVERT: T   64 LYS cc_start: 0.8600 (mttt) cc_final: 0.8396 (mptt)
REVERT: U    1 MET cc_start: 0.7041 (tpp) cc_final: 0.6576 (tpt)
REVERT: U   12 LYS cc_start: 0.7023 (ttpp) cc_final: 0.6697 (tmtt)
REVERT: U   18 GLN cc_start: 0.7879 (mp10) cc_final: 0.7447 (mp10)
REVERT: U   23 ASP cc_start: 0.8162 (OUTLIER) cc_final: 0.7764 (p0)
REVERT: U   34 GLU cc_start: 0.8584 (pt0) cc_final: 0.8377 (pt0)
REVERT: U   51 ARG cc_start: 0.7970 (tmm-80) cc_final: 0.7076 (ttm170)
REVERT: V   16 MET cc_start: 0.8267 (OUTLIER) cc_final: 0.7880 (mtp)
REVERT: V   17 GLU cc_start: 0.8162 (mp0) cc_final: 0.7784 (mp0)
REVERT: V   40 THR cc_start: 0.8399 (t) cc_final: 0.8167 (t)
REVERT: V   41 THR cc_start: 0.7815 (m) cc_final: 0.7568 (m)
REVERT: V   68 LYS cc_start: 0.8901 (tttp) cc_final: 0.8673 (ttpt)
REVERT: V   80 LYS cc_start: 0.8848 (ttmm) cc_final: 0.8263 (tptp)
REVERT: W   20 ILE cc_start: 0.7450 (mm) cc_final: 0.7220 (mp)
REVERT: W   37 LYS cc_start: 0.8553 (mtpt) cc_final: 0.8205 (mtpt)
REVERT: X    6 LYS cc_start: 0.8314 (mtmt) cc_final: 0.7992 (mtmt)
REVERT: Y   53 MET cc_start: 0.8234 (ppp) cc_final: 0.7838 (tmm)
REVERT: Y   54 GLN cc_start: 0.8682 (tt0) cc_final: 0.8018 (tt0)
REVERT: Y   69 ASN cc_start: 0.8638 (m110) cc_final: 0.8085 (m-40)
REVERT: Y   81 GLN cc_start: 0.8146 (mm-40) cc_final: 0.7914 (mm-40)
REVERT: Z   17 ARG cc_start: 0.7188 (ttt90) cc_final: 0.6390 (ttt-90)
REVERT: Z   20 ARG cc_start: 0.7043 (ptp-170) cc_final: 0.6335 (tmt170)
REVERT: Z   28 LEU cc_start: 0.8928 (OUTLIER) cc_final: 0.8626 (mm)
REVERT: Z   54 ARG cc_start: 0.8494 (mtp180) cc_final: 0.7937 (tmt90)
REVERT: Z   61 ARG cc_start: 0.7592 (OUTLIER) cc_final: 0.6453 (ppt90)
REVERT: a   33 LEU cc_start: 0.5509 (OUTLIER) cc_final: 0.4864 (pt)
REVERT: a   48 LEU cc_start: 0.6427 (OUTLIER) cc_final: 0.6195 (tm)
REVERT: a  185 LEU cc_start: 0.4264 (OUTLIER) cc_final: 0.3731 (mt)
  outliers start: 470
  outliers final: 230
  residues processed: 1874
  average time/residue: 2.0552
  time to fit residues: 5620.9850
Evaluate side-chains
  1830 residues out of total 4910 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 274
    poor density    : 1556
  time to evaluate  : 6.444 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain b residue   13 ARG
Chi-restraints excluded: chain b residue   44 ASN
Chi-restraints excluded: chain b residue   48 ILE
Chi-restraints excluded: chain b residue   50 THR
Chi-restraints excluded: chain b residue   76 VAL
Chi-restraints excluded: chain b residue  117 SER
Chi-restraints excluded: chain b residue  143 VAL
Chi-restraints excluded: chain b residue  156 SER
Chi-restraints excluded: chain b residue  159 THR
Chi-restraints excluded: chain b residue  161 VAL
Chi-restraints excluded: chain b residue  172 THR
Chi-restraints excluded: chain b residue  198 GLU
Chi-restraints excluded: chain b residue  258 SER
Chi-restraints excluded: chain b residue  263 ASP
Chi-restraints excluded: chain c residue   13 ARG
Chi-restraints excluded: chain c residue   22 ILE
Chi-restraints excluded: chain c residue   43 ASP
Chi-restraints excluded: chain c residue   60 VAL
Chi-restraints excluded: chain c residue  103 ASP
Chi-restraints excluded: chain c residue  105 LYS
Chi-restraints excluded: chain c residue  106 LYS
Chi-restraints excluded: chain c residue  110 THR
Chi-restraints excluded: chain c residue  122 VAL
Chi-restraints excluded: chain c residue  126 ASN
Chi-restraints excluded: chain c residue  131 ASP
Chi-restraints excluded: chain c residue  155 VAL
Chi-restraints excluded: chain c residue  169 ARG
Chi-restraints excluded: chain c residue  193 VAL
Chi-restraints excluded: chain d residue   53 THR
Chi-restraints excluded: chain d residue   63 LYS
Chi-restraints excluded: chain d residue   72 SER
Chi-restraints excluded: chain d residue   75 SER
Chi-restraints excluded: chain d residue  149 ILE
Chi-restraints excluded: chain d residue  184 ASP
Chi-restraints excluded: chain d residue  187 VAL
Chi-restraints excluded: chain e residue   39 VAL
Chi-restraints excluded: chain e residue  107 VAL
Chi-restraints excluded: chain e residue  128 SER
Chi-restraints excluded: chain f residue    1 SER
Chi-restraints excluded: chain f residue   18 ILE
Chi-restraints excluded: chain f residue   70 LEU
Chi-restraints excluded: chain f residue   88 LEU
Chi-restraints excluded: chain f residue  110 HIS
Chi-restraints excluded: chain f residue  112 VAL
Chi-restraints excluded: chain f residue  124 CYS
Chi-restraints excluded: chain f residue  126 THR
Chi-restraints excluded: chain f residue  132 LEU
Chi-restraints excluded: chain g residue    2 GLN
Chi-restraints excluded: chain g residue  130 VAL
Chi-restraints excluded: chain h residue    3 LEU
Chi-restraints excluded: chain h residue   82 ILE
Chi-restraints excluded: chain h residue   86 MET
Chi-restraints excluded: chain i residue  117 THR
Chi-restraints excluded: chain j residue    3 THR
Chi-restraints excluded: chain j residue   21 THR
Chi-restraints excluded: chain j residue   28 LEU
Chi-restraints excluded: chain j residue   67 ASN
Chi-restraints excluded: chain j residue   70 THR
Chi-restraints excluded: chain j residue   78 THR
Chi-restraints excluded: chain j residue   88 THR
Chi-restraints excluded: chain j residue  140 LEU
Chi-restraints excluded: chain k residue    8 LEU
Chi-restraints excluded: chain k residue   29 HIS
Chi-restraints excluded: chain k residue   58 LEU
Chi-restraints excluded: chain k residue   61 VAL
Chi-restraints excluded: chain k residue   65 THR
Chi-restraints excluded: chain k residue   76 VAL
Chi-restraints excluded: chain k residue   78 ARG
Chi-restraints excluded: chain k residue   88 ASN
Chi-restraints excluded: chain k residue   95 ILE
Chi-restraints excluded: chain k residue  104 THR
Chi-restraints excluded: chain l residue    3 LEU
Chi-restraints excluded: chain l residue   47 ARG
Chi-restraints excluded: chain l residue   73 ILE
Chi-restraints excluded: chain l residue   89 VAL
Chi-restraints excluded: chain l residue  101 ILE
Chi-restraints excluded: chain l residue  127 VAL
Chi-restraints excluded: chain m residue   12 MET
Chi-restraints excluded: chain m residue   42 THR
Chi-restraints excluded: chain m residue   51 ARG
Chi-restraints excluded: chain m residue   80 VAL
Chi-restraints excluded: chain m residue  128 THR
Chi-restraints excluded: chain m residue  129 THR
Chi-restraints excluded: chain m residue  132 THR
Chi-restraints excluded: chain n residue    6 SER
Chi-restraints excluded: chain n residue   14 SER
Chi-restraints excluded: chain n residue   15 SER
Chi-restraints excluded: chain n residue   18 GLN
Chi-restraints excluded: chain n residue   29 VAL
Chi-restraints excluded: chain n residue   46 ARG
Chi-restraints excluded: chain n residue   76 VAL
Chi-restraints excluded: chain n residue  113 ILE
Chi-restraints excluded: chain o residue    4 LYS
Chi-restraints excluded: chain o residue    7 ARG
Chi-restraints excluded: chain o residue    8 ILE
Chi-restraints excluded: chain o residue   18 LEU
Chi-restraints excluded: chain o residue   35 ILE
Chi-restraints excluded: chain o residue   69 ASP
Chi-restraints excluded: chain o residue   91 SER
Chi-restraints excluded: chain o residue   95 SER
Chi-restraints excluded: chain o residue  103 VAL
Chi-restraints excluded: chain o residue  108 ASP
Chi-restraints excluded: chain p residue   25 VAL
Chi-restraints excluded: chain p residue   26 GLU
Chi-restraints excluded: chain p residue   40 GLN
Chi-restraints excluded: chain p residue   64 SER
Chi-restraints excluded: chain p residue   70 GLU
Chi-restraints excluded: chain p residue   77 SER
Chi-restraints excluded: chain p residue  103 THR
Chi-restraints excluded: chain q residue   16 ILE
Chi-restraints excluded: chain q residue   17 LEU
Chi-restraints excluded: chain q residue   21 LYS
Chi-restraints excluded: chain q residue   33 VAL
Chi-restraints excluded: chain r residue    6 GLN
Chi-restraints excluded: chain r residue   24 LYS
Chi-restraints excluded: chain r residue   38 VAL
Chi-restraints excluded: chain r residue   68 ARG
Chi-restraints excluded: chain r residue   71 LYS
Chi-restraints excluded: chain r residue   78 ARG
Chi-restraints excluded: chain r residue   94 THR
Chi-restraints excluded: chain s residue    3 THR
Chi-restraints excluded: chain s residue   69 LEU
Chi-restraints excluded: chain s residue   74 ILE
Chi-restraints excluded: chain s residue   92 ARG
Chi-restraints excluded: chain s residue   95 ARG
Chi-restraints excluded: chain s residue   96 ILE
Chi-restraints excluded: chain s residue   99 ARG
Chi-restraints excluded: chain s residue  107 VAL
Chi-restraints excluded: chain t residue    8 LEU
Chi-restraints excluded: chain t residue   17 SER
Chi-restraints excluded: chain t residue   31 VAL
Chi-restraints excluded: chain t residue   44 LYS
Chi-restraints excluded: chain t residue   85 VAL
Chi-restraints excluded: chain u residue   20 LYS
Chi-restraints excluded: chain u residue   27 VAL
Chi-restraints excluded: chain v residue    8 VAL
Chi-restraints excluded: chain v residue   62 THR
Chi-restraints excluded: chain v residue   63 ILE
Chi-restraints excluded: chain v residue   64 VAL
Chi-restraints excluded: chain v residue   65 VAL
Chi-restraints excluded: chain w residue   12 SER
Chi-restraints excluded: chain w residue   17 LEU
Chi-restraints excluded: chain w residue   60 ASP
Chi-restraints excluded: chain x residue   12 VAL
Chi-restraints excluded: chain x residue   34 SER
Chi-restraints excluded: chain x residue   39 VAL
Chi-restraints excluded: chain x residue   57 VAL
Chi-restraints excluded: chain x residue   67 LEU
Chi-restraints excluded: chain y residue   34 SER
Chi-restraints excluded: chain y residue   55 THR
Chi-restraints excluded: chain y residue   56 LEU
Chi-restraints excluded: chain z residue   23 LEU
Chi-restraints excluded: chain B residue   17 SER
Chi-restraints excluded: chain B residue   24 VAL
Chi-restraints excluded: chain B residue   33 SER
Chi-restraints excluded: chain B residue   43 THR
Chi-restraints excluded: chain B residue   45 ASP
Chi-restraints excluded: chain C residue   11 VAL
Chi-restraints excluded: chain C residue   16 THR
Chi-restraints excluded: chain D residue    8 SER
Chi-restraints excluded: chain D residue   41 ARG
Chi-restraints excluded: chain D residue   42 LEU
Chi-restraints excluded: chain E residue   16 THR
Chi-restraints excluded: chain E residue   32 LEU
Chi-restraints excluded: chain E residue   58 ILE
Chi-restraints excluded: chain F residue    6 SER
Chi-restraints excluded: chain F residue   22 VAL
Chi-restraints excluded: chain G residue   79 VAL
Chi-restraints excluded: chain G residue   81 ASP
Chi-restraints excluded: chain G residue   99 MET
Chi-restraints excluded: chain G residue  110 ILE
Chi-restraints excluded: chain G residue  126 ASP
Chi-restraints excluded: chain G residue  129 THR
Chi-restraints excluded: chain G residue  144 GLU
Chi-restraints excluded: chain G residue  186 VAL
Chi-restraints excluded: chain G residue  188 THR
Chi-restraints excluded: chain G residue  206 ILE
Chi-restraints excluded: chain G residue  209 VAL
Chi-restraints excluded: chain H residue   71 ARG
Chi-restraints excluded: chain H residue  105 VAL
Chi-restraints excluded: chain H residue  123 LEU
Chi-restraints excluded: chain H residue  152 VAL
Chi-restraints excluded: chain H residue  185 THR
Chi-restraints excluded: chain H residue  199 VAL
Chi-restraints excluded: chain I residue   47 LEU
Chi-restraints excluded: chain I residue   49 ASP
Chi-restraints excluded: chain I residue   54 LEU
Chi-restraints excluded: chain I residue   63 ILE
Chi-restraints excluded: chain I residue   97 LEU
Chi-restraints excluded: chain I residue  124 VAL
Chi-restraints excluded: chain I residue  141 VAL
Chi-restraints excluded: chain I residue  142 VAL
Chi-restraints excluded: chain J residue   25 LYS
Chi-restraints excluded: chain J residue   31 SER
Chi-restraints excluded: chain J residue   35 LEU
Chi-restraints excluded: chain J residue  105 ILE
Chi-restraints excluded: chain J residue  119 VAL
Chi-restraints excluded: chain J residue  121 ASN
Chi-restraints excluded: chain J residue  122 VAL
Chi-restraints excluded: chain K residue    2 ARG
Chi-restraints excluded: chain K residue    6 ILE
Chi-restraints excluded: chain K residue   47 LEU
Chi-restraints excluded: chain K residue   52 ASN
Chi-restraints excluded: chain K residue   62 MET
Chi-restraints excluded: chain K residue   72 ASP
Chi-restraints excluded: chain K residue   74 LEU
Chi-restraints excluded: chain K residue   86 ARG
Chi-restraints excluded: chain K residue   92 THR
Chi-restraints excluded: chain K residue   94 HIS
Chi-restraints excluded: chain L residue   11 ILE
Chi-restraints excluded: chain L residue   29 LEU
Chi-restraints excluded: chain L residue   31 VAL
Chi-restraints excluded: chain L residue  123 LEU
Chi-restraints excluded: chain M residue    1 SER
Chi-restraints excluded: chain M residue    9 MET
Chi-restraints excluded: chain M residue   46 GLU
Chi-restraints excluded: chain M residue   57 GLU
Chi-restraints excluded: chain M residue   58 LEU
Chi-restraints excluded: chain M residue   71 VAL
Chi-restraints excluded: chain M residue   87 ARG
Chi-restraints excluded: chain M residue  128 VAL
Chi-restraints excluded: chain N residue   28 VAL
Chi-restraints excluded: chain N residue   83 THR
Chi-restraints excluded: chain N residue  121 ARG
Chi-restraints excluded: chain P residue   25 SER
Chi-restraints excluded: chain P residue   45 THR
Chi-restraints excluded: chain P residue   58 THR
Chi-restraints excluded: chain P residue   71 ASP
Chi-restraints excluded: chain P residue   73 VAL
Chi-restraints excluded: chain P residue   96 ILE
Chi-restraints excluded: chain P residue   99 LEU
Chi-restraints excluded: chain P residue  113 THR
Chi-restraints excluded: chain P residue  115 ILE
Chi-restraints excluded: chain Q residue   34 THR
Chi-restraints excluded: chain Q residue   35 ARG
Chi-restraints excluded: chain Q residue   51 VAL
Chi-restraints excluded: chain Q residue   57 THR
Chi-restraints excluded: chain Q residue   62 VAL
Chi-restraints excluded: chain R residue   57 ASP
Chi-restraints excluded: chain R residue  100 ARG
Chi-restraints excluded: chain R residue  107 THR
Chi-restraints excluded: chain T residue   21 THR
Chi-restraints excluded: chain T residue   23 SER
Chi-restraints excluded: chain T residue   24 THR
Chi-restraints excluded: chain U residue    2 VAL
Chi-restraints excluded: chain U residue    4 ILE
Chi-restraints excluded: chain U residue   23 ASP
Chi-restraints excluded: chain U residue   68 SER
Chi-restraints excluded: chain V residue    7 LEU
Chi-restraints excluded: chain V residue   15 LYS
Chi-restraints excluded: chain V residue   16 MET
Chi-restraints excluded: chain V residue   21 VAL
Chi-restraints excluded: chain V residue   56 ASP
Chi-restraints excluded: chain V residue   63 CYS
Chi-restraints excluded: chain V residue   64 ARG
Chi-restraints excluded: chain V residue   69 THR
Chi-restraints excluded: chain V residue   74 LEU
Chi-restraints excluded: chain V residue   82 VAL
Chi-restraints excluded: chain W residue   25 ILE
Chi-restraints excluded: chain W residue   33 THR
Chi-restraints excluded: chain W residue   35 SER
Chi-restraints excluded: chain X residue    3 SER
Chi-restraints excluded: chain X residue   62 THR
Chi-restraints excluded: chain Y residue    5 SER
Chi-restraints excluded: chain Y residue   20 ASN
Chi-restraints excluded: chain Y residue   31 ILE
Chi-restraints excluded: chain Y residue   75 LYS
Chi-restraints excluded: chain Z residue   18 PHE
Chi-restraints excluded: chain Z residue   28 LEU
Chi-restraints excluded: chain Z residue   41 THR
Chi-restraints excluded: chain Z residue   61 ARG
Chi-restraints excluded: chain a residue   33 LEU
Chi-restraints excluded: chain a residue   48 LEU
Chi-restraints excluded: chain a residue  185 LEU
Rotamers are restrained with sigma=4.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 1057
   random chunks:
   chunk 950 optimal weight:   50.0000
   chunk 722 optimal weight:   10.0000
   chunk 499 optimal weight:   30.0000
   chunk 106 optimal weight:   50.0000
   chunk 458 optimal weight:    6.9990
   chunk 645 optimal weight:   10.0000
   chunk 965 optimal weight:   10.0000
   chunk 1021 optimal weight:   10.0000
   chunk 504 optimal weight:    0.9990
   chunk 914 optimal weight:    4.9990
   chunk 275 optimal weight:   30.0000
   overall best weight:    6.5994

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

Flipped N/Q/H residues before XYZ refinement:
b 133 ASN
b 259 ASN
** f  72 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
g  18 GLN
** g  73 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** h  57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** i  42 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
j  80 HIS
k   9 ASN
m   3 GLN
** n   9 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
** n  31 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
o 104 GLN
p  74 GLN
p  76 HIS
** q  43 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
q  55 GLN
r  12 HIS
** t  48 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
v  49 ASN
D  29 GLN
** G  38 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
G  50 ASN
H  31 ASN
I 130 ASN
I 197 HIS
** K  11 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
L 141 HIS
** L 147 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
M  37 ASN
N  49 GLN
Q   5 GLN
Q  71 HIS
R  11 HIS
** R 104 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** T  41 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
T  61 GLN
Y   2 ASN

Total number of N/Q/H flips: 25

-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8355
moved from start:          0.3214

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.007   0.187 163217  Z= 0.405
  Angle     :  0.712  15.416 244200  Z= 0.363
  Chirality :  0.041   0.335  31236
  Planarity :  0.006   0.068  13083
  Dihedral  : 23.143 179.934  81780
  Min Nonbonded Distance : 2.047

Molprobity Statistics.
  All-atom Clashscore : 14.92
  Ramachandran Plot:
    Outliers :  0.25 %
    Allowed  :  9.17 %
    Favored  : 90.57 %
  Rotamer:
    Outliers :  9.04 %
    Allowed  : 28.80 %
    Favored  : 62.16 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.02 %

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: -2.61 (0.10), residues: 5919
  helix: -0.99 (0.12), residues: 1834
  sheet: -1.78 (0.15), residues: 1023
  loop : -2.19 (0.10), residues: 3062

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.019   0.002   TRP b 212 
 HIS   0.013   0.001   HIS I 197 
 PHE   0.026   0.002   PHE L  25 
 TYR   0.029   0.002   TYR o  99 
 ARG   0.012   0.001   ARG f  54 

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

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

  11838 Ramachandran restraints generated.
    5919 Oldfield, 0 Emsley, 5919 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  11838 Ramachandran restraints generated.
    5919 Oldfield, 0 Emsley, 5919 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  2085 residues out of total 4910 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 444
    poor density    : 1641
  time to evaluate  : 6.555 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
REVERT: b   13 ARG cc_start: 0.8936 (OUTLIER) cc_final: 0.8119 (ptp-110)
REVERT: b   44 ASN cc_start: 0.8564 (OUTLIER) cc_final: 0.8151 (OUTLIER)
REVERT: b   65 ASP cc_start: 0.7580 (t0) cc_final: 0.7330 (t0)
REVERT: b   97 ASP cc_start: 0.7948 (p0) cc_final: 0.7695 (p0)
REVERT: b   99 GLU cc_start: 0.6896 (tt0) cc_final: 0.6628 (pt0)
REVERT: b  144 GLU cc_start: 0.8201 (mt-10) cc_final: 0.7947 (mt-10)
REVERT: b  213 ARG cc_start: 0.8755 (tpp-160) cc_final: 0.8507 (tpp-160)
REVERT: b  224 MET cc_start: 0.8550 (mmm) cc_final: 0.7998 (mmt)
REVERT: c   13 ARG cc_start: 0.8834 (OUTLIER) cc_final: 0.7002 (ptt-90)
REVERT: c   28 GLU cc_start: 0.7741 (tp30) cc_final: 0.7166 (tp30)
REVERT: c   39 ASP cc_start: 0.7672 (OUTLIER) cc_final: 0.7316 (p0)
REVERT: c   94 GLN cc_start: 0.7866 (tm130) cc_final: 0.7620 (tt0)
REVERT: c  138 LEU cc_start: 0.9237 (OUTLIER) cc_final: 0.9033 (mp)
REVERT: c  169 ARG cc_start: 0.8671 (OUTLIER) cc_final: 0.8257 (mmm160)
REVERT: d   24 ASN cc_start: 0.8924 (t0) cc_final: 0.8562 (t0)
REVERT: d   35 TYR cc_start: 0.8684 (t80) cc_final: 0.8398 (t80)
REVERT: d  111 GLU cc_start: 0.8382 (tp30) cc_final: 0.7779 (tm-30)
REVERT: d  130 LYS cc_start: 0.8645 (mmtm) cc_final: 0.8271 (tppt)
REVERT: d  132 LYS cc_start: 0.8177 (tttm) cc_final: 0.7946 (ttpp)
REVERT: d  149 ILE cc_start: 0.8915 (OUTLIER) cc_final: 0.8643 (pp)
REVERT: d  162 ARG cc_start: 0.8355 (OUTLIER) cc_final: 0.7891 (ttp-110)
REVERT: d  168 ASP cc_start: 0.8566 (t0) cc_final: 0.8115 (t0)
REVERT: d  198 GLU cc_start: 0.8379 (mp0) cc_final: 0.8086 (mp0)
REVERT: e  129 MET cc_start: 0.8422 (ppp) cc_final: 0.8140 (ppp)
REVERT: f   21 GLN cc_start: 0.7920 (tp40) cc_final: 0.7032 (tp40)
REVERT: f   31 GLU cc_start: 0.9363 (tm-30) cc_final: 0.9122 (tm-30)
REVERT: f   38 ASP cc_start: 0.8710 (p0) cc_final: 0.8370 (p0)
REVERT: f   70 LEU cc_start: 0.8536 (OUTLIER) cc_final: 0.8303 (tm)
REVERT: g    7 ASP cc_start: 0.6706 (m-30) cc_final: 0.6258 (m-30)
REVERT: h    1 MET cc_start: 0.6452 (tmm) cc_final: 0.6133 (tmt)
REVERT: h   38 MET cc_start: 0.4929 (mmt) cc_final: 0.2928 (mpt)
REVERT: h   60 LEU cc_start: 0.7571 (tp) cc_final: 0.7295 (mp)
REVERT: h   82 ILE cc_start: 0.0747 (OUTLIER) cc_final: -0.0242 (pp)
REVERT: h   86 MET cc_start: 0.2191 (OUTLIER) cc_final: 0.1705 (tpp)
REVERT: j   75 TYR cc_start: 0.8392 (m-80) cc_final: 0.8062 (m-80)
REVERT: k   29 HIS cc_start: 0.8245 (OUTLIER) cc_final: 0.7820 (t-90)
REVERT: k  105 ARG cc_start: 0.8726 (tpp80) cc_final: 0.8520 (tpp80)
REVERT: k  112 PHE cc_start: 0.8790 (m-80) cc_final: 0.8335 (m-10)
REVERT: l   47 ARG cc_start: 0.8663 (OUTLIER) cc_final: 0.7395 (ptt90)
REVERT: l   77 ILE cc_start: 0.9219 (pt) cc_final: 0.8811 (pp)
REVERT: l  143 GLU cc_start: 0.6615 (pp20) cc_final: 0.6297 (pp20)
REVERT: m    6 ARG cc_start: 0.7362 (ptm-80) cc_final: 0.7014 (ptm-80)
REVERT: m   47 GLU cc_start: 0.8164 (tm-30) cc_final: 0.7887 (tp30)
REVERT: m   81 ARG cc_start: 0.8756 (mtt90) cc_final: 0.8486 (tpp80)
REVERT: m  103 TYR cc_start: 0.8532 (m-80) cc_final: 0.8312 (m-80)
REVERT: n   74 GLU cc_start: 0.7898 (tt0) cc_final: 0.7604 (tt0)
REVERT: n   94 TYR cc_start: 0.9366 (m-80) cc_final: 0.9105 (m-80)
REVERT: o    4 LYS cc_start: 0.8801 (OUTLIER) cc_final: 0.8417 (tptm)
REVERT: o    7 ARG cc_start: 0.8550 (OUTLIER) cc_final: 0.8039 (ttm170)
REVERT: o   15 ARG cc_start: 0.7297 (OUTLIER) cc_final: 0.7017 (mmm160)
REVERT: o   19 GLN cc_start: 0.7522 (pt0) cc_final: 0.7302 (pt0)
REVERT: o   76 LYS cc_start: 0.8984 (tttt) cc_final: 0.8698 (tmmm)
REVERT: o   88 LYS cc_start: 0.7511 (tmtt) cc_final: 0.7148 (tmmt)
REVERT: o   94 ARG cc_start: 0.8710 (OUTLIER) cc_final: 0.8210 (mtp-110)
REVERT: o  104 GLN cc_start: 0.9109 (tt0) cc_final: 0.8824 (tt0)
REVERT: p    8 GLU cc_start: 0.7694 (mt-10) cc_final: 0.7391 (mt-10)
REVERT: p   23 ASP cc_start: 0.8187 (m-30) cc_final: 0.7790 (m-30)
REVERT: p  110 LYS cc_start: 0.7972 (ttpt) cc_final: 0.7700 (ptmm)
REVERT: q    7 VAL cc_start: 0.8614 (OUTLIER) cc_final: 0.8318 (t)
REVERT: q   80 ASN cc_start: 0.8430 (t0) cc_final: 0.8195 (t0)
REVERT: q   96 ASP cc_start: 0.7976 (t70) cc_final: 0.7520 (t70)
REVERT: r   60 LYS cc_start: 0.8868 (mtmm) cc_final: 0.8418 (ptpt)
REVERT: r   78 ARG cc_start: 0.8646 (OUTLIER) cc_final: 0.8258 (mmt90)
REVERT: s    8 ARG cc_start: 0.8042 (mtp-110) cc_final: 0.7720 (mtm180)
REVERT: s   31 GLN cc_start: 0.8893 (tm-30) cc_final: 0.8362 (tp-100)
REVERT: s   38 TYR cc_start: 0.8766 (m-80) cc_final: 0.8519 (m-80)
REVERT: s   69 LEU cc_start: 0.8269 (OUTLIER) cc_final: 0.8051 (mt)
REVERT: s   92 ARG cc_start: 0.7737 (OUTLIER) cc_final: 0.6880 (ptm-80)
REVERT: t   12 ARG cc_start: 0.8647 (mmm160) cc_final: 0.8432 (mmm160)
REVERT: t   43 ILE cc_start: 0.9084 (OUTLIER) cc_final: 0.8884 (mp)
REVERT: t   44 LYS cc_start: 0.8954 (OUTLIER) cc_final: 0.8423 (ttmt)
REVERT: t   69 ARG cc_start: 0.8401 (ttp-110) cc_final: 0.7819 (mtp85)
REVERT: t   73 ARG cc_start: 0.6722 (ptp-110) cc_final: 0.6357 (mtt90)
REVERT: u   36 GLU cc_start: 0.7982 (pm20) cc_final: 0.7635 (pm20)
REVERT: u   59 GLU cc_start: 0.8081 (tp30) cc_final: 0.7361 (tm-30)
REVERT: u   93 ARG cc_start: 0.8150 (OUTLIER) cc_final: 0.7335 (ptm-80)
REVERT: v    7 GLU cc_start: 0.7810 (pp20) cc_final: 0.7338 (pp20)
REVERT: v   41 GLU cc_start: 0.7372 (tm-30) cc_final: 0.6656 (tm-30)
REVERT: w   25 GLU cc_start: 0.7566 (tt0) cc_final: 0.7344 (tt0)
REVERT: w   64 LYS cc_start: 0.8286 (OUTLIER) cc_final: 0.7573 (tptp)
REVERT: x    5 GLN cc_start: 0.8322 (mm-40) cc_final: 0.7584 (mp10)
REVERT: x   40 GLU cc_start: 0.8572 (OUTLIER) cc_final: 0.8182 (mt-10)
REVERT: y   17 GLU cc_start: 0.9285 (tm-30) cc_final: 0.8956 (tm-30)
REVERT: y   27 ASN cc_start: 0.9255 (m110) cc_final: 0.8814 (m110)
REVERT: y   38 GLN cc_start: 0.7002 (mm110) cc_final: 0.6775 (mm110)
REVERT: y   39 GLN cc_start: 0.8097 (mt0) cc_final: 0.7541 (mt0)
REVERT: y   44 LYS cc_start: 0.8988 (tttp) cc_final: 0.8364 (ttpt)
REVERT: y   48 ARG cc_start: 0.8128 (mmt90) cc_final: 0.7214 (mmt180)
REVERT: y   52 ARG cc_start: 0.8710 (ttm110) cc_final: 0.7882 (ttp-110)
REVERT: B   14 MET cc_start: 0.8436 (mtm) cc_final: 0.8099 (mtm)
REVERT: D    2 LYS cc_start: 0.8936 (ttpt) cc_final: 0.8376 (ptmt)
REVERT: D    4 THR cc_start: 0.8667 (p) cc_final: 0.8403 (p)
REVERT: E   51 LYS cc_start: 0.8249 (pttt) cc_final: 0.8005 (pttt)
REVERT: E   63 TYR cc_start: 0.8224 (m-80) cc_final: 0.7764 (m-80)
REVERT: F   11 CYS cc_start: 0.8208 (OUTLIER) cc_final: 0.7884 (p)
REVERT: G    6 ARG cc_start: 0.8887 (ptm-80) cc_final: 0.8672 (ptp-170)
REVERT: G    8 MET cc_start: 0.9188 (ptp) cc_final: 0.8640 (ptt)
REVERT: G   15 PHE cc_start: 0.8268 (OUTLIER) cc_final: 0.7655 (m-80)
REVERT: G   18 GLN cc_start: 0.8507 (mt0) cc_final: 0.8236 (tt0)
REVERT: G   31 PHE cc_start: 0.7693 (t80) cc_final: 0.7480 (t80)
REVERT: G   48 MET cc_start: 0.6759 (mtt) cc_final: 0.6551 (mtp)
REVERT: G   55 GLU cc_start: 0.8620 (tp30) cc_final: 0.8224 (tp30)
REVERT: G   58 LYS cc_start: 0.9175 (tmtt) cc_final: 0.8969 (ttpt)
REVERT: G   99 MET cc_start: 0.8266 (OUTLIER) cc_final: 0.7819 (mpp)
REVERT: G  107 ARG cc_start: 0.8307 (ttm170) cc_final: 0.7991 (ttp-110)
REVERT: G  144 GLU cc_start: 0.7504 (OUTLIER) cc_final: 0.7167 (tt0)
REVERT: G  145 ASN cc_start: 0.8833 (m-40) cc_final: 0.8337 (OUTLIER)
REVERT: G  167 HIS cc_start: 0.8891 (t-90) cc_final: 0.8069 (t-90)
REVERT: G  216 VAL cc_start: 0.8560 (m) cc_final: 0.8267 (t)
REVERT: H   24 ASN cc_start: 0.8122 (m-40) cc_final: 0.7856 (p0)
REVERT: H   71 ARG cc_start: 0.7920 (OUTLIER) cc_final: 0.7634 (mpp80)
REVERT: H   84 GLU cc_start: 0.8519 (tp30) cc_final: 0.7620 (tp30)
REVERT: H   88 LYS cc_start: 0.8872 (pttm) cc_final: 0.8314 (pttm)
REVERT: H  109 GLU cc_start: 0.7402 (pm20) cc_final: 0.7184 (pm20)
REVERT: H  130 ARG cc_start: 0.8498 (OUTLIER) cc_final: 0.7399 (mmm160)
REVERT: H  139 ASN cc_start: 0.8625 (m110) cc_final: 0.8134 (t0)
REVERT: H  151 GLU cc_start: 0.7705 (tm-30) cc_final: 0.7276 (tm-30)
REVERT: H  168 ARG cc_start: 0.8249 (ptp-170) cc_final: 0.7961 (ptp-170)
REVERT: H  169 GLU cc_start: 0.8375 (tm-30) cc_final: 0.7517 (tm-30)
REVERT: I   14 GLU cc_start: 0.7798 (OUTLIER) cc_final: 0.7469 (mm-30)
REVERT: I   49 ASP cc_start: 0.8203 (OUTLIER) cc_final: 0.7522 (t70)
REVERT: I   50 TYR cc_start: 0.8182 (t80) cc_final: 0.7740 (t80)
REVERT: I   62 ARG cc_start: 0.8303 (mmt90) cc_final: 0.7903 (mmt90)
REVERT: I  120 LYS cc_start: 0.8097 (mttt) cc_final: 0.7539 (mmmt)
REVERT: I  123 MET cc_start: 0.7927 (ptp) cc_final: 0.7472 (ppp)
REVERT: J   11 GLN cc_start: 0.8037 (tt0) cc_final: 0.7742 (tt0)
REVERT: J  121 ASN cc_start: 0.8144 (OUTLIER) cc_final: 0.7805 (p0)
REVERT: J  143 LEU cc_start: 0.9179 (mp) cc_final: 0.8923 (mt)
REVERT: K    2 ARG cc_start: 0.7046 (OUTLIER) cc_final: 0.6618 (mtt180)
REVERT: K   33 GLU cc_start: 0.8798 (pt0) cc_final: 0.8419 (pp20)
REVERT: K   40 GLU cc_start: 0.8160 (tm-30) cc_final: 0.7841 (tm-30)
REVERT: K   56 LYS cc_start: 0.8085 (mtmt) cc_final: 0.7619 (tmtp)
REVERT: K   62 MET cc_start: 0.8463 (OUTLIER) cc_final: 0.8215 (mtp)
REVERT: K   65 GLU cc_start: 0.8026 (tt0) cc_final: 0.7349 (tm-30)
REVERT: K   78 PHE cc_start: 0.9151 (m-80) cc_final: 0.8469 (m-80)
REVERT: L   11 ILE cc_start: 0.3042 (OUTLIER) cc_final: 0.2775 (pt)
REVERT: L  123 LEU cc_start: 0.8850 (OUTLIER) cc_final: 0.8616 (mm)
REVERT: L  142 ARG cc_start: 0.8928 (mmt90) cc_final: 0.8552 (mmm-85)
REVERT: L  143 MET cc_start: 0.8056 (mmm) cc_final: 0.7665 (tpt)
REVERT: M   20 ASN cc_start: 0.8945 (t0) cc_final: 0.8647 (t0)
REVERT: M   87 ARG cc_start: 0.8192 (OUTLIER) cc_final: 0.7876 (ttp-170)
REVERT: M  117 GLN cc_start: 0.7648 (pp30) cc_final: 0.7050 (pp30)
REVERT: N   29 ILE cc_start: 0.8341 (pt) cc_final: 0.8025 (pp)
REVERT: N   52 GLU cc_start: 0.8287 (mm-30) cc_final: 0.7901 (mm-30)
REVERT: N   62 LEU cc_start: 0.9498 (mt) cc_final: 0.9287 (mm)
REVERT: N   71 ILE cc_start: 0.9133 (OUTLIER) cc_final: 0.8617 (mm)
REVERT: N  119 LYS cc_start: 0.8383 (ptmm) cc_final: 0.7707 (ptmm)
REVERT: O    5 ARG cc_start: 0.7713 (tpp-160) cc_final: 0.7213 (tpm170)
REVERT: P   33 ILE cc_start: 0.8198 (mt) cc_final: 0.7889 (mp)
REVERT: R   38 ILE cc_start: 0.7670 (mm) cc_final: 0.7434 (mm)
REVERT: R   40 GLU cc_start: 0.6680 (mp0) cc_final: 0.6400 (mp0)
REVERT: R   62 PHE cc_start: 0.6744 (t80) cc_final: 0.6148 (t80)
REVERT: R   97 ARG cc_start: 0.7675 (mmm-85) cc_final: 0.6655 (mmt90)
REVERT: R  102 LYS cc_start: 0.8697 (tttt) cc_final: 0.8389 (ttmm)
REVERT: S   11 LYS cc_start: 0.9132 (tmmm) cc_final: 0.8841 (tmmm)
REVERT: S   15 LEU cc_start: 0.8624 (OUTLIER) cc_final: 0.8371 (mp)
REVERT: S   46 LYS cc_start: 0.8347 (tppt) cc_final: 0.7988 (tppp)
REVERT: S   75 LYS cc_start: 0.8901 (tppt) cc_final: 0.8656 (ttmm)
REVERT: S   89 ARG cc_start: 0.7874 (mtp85) cc_final: 0.7507 (mtp-110)
REVERT: T   13 GLU cc_start: 0.7645 (tm-30) cc_final: 0.6996 (tm-30)
REVERT: T   14 PHE cc_start: 0.8760 (m-80) cc_final: 0.8228 (m-10)
REVERT: T   64 LYS cc_start: 0.8596 (mttt) cc_final: 0.8391 (mptt)
REVERT: T   83 ARG cc_start: 0.7876 (ttt180) cc_final: 0.7464 (ttt-90)
REVERT: U   12 LYS cc_start: 0.7139 (ttpp) cc_final: 0.6786 (tttm)
REVERT: U   13 LYS cc_start: 0.8285 (tppt) cc_final: 0.7719 (mptm)
REVERT: U   18 GLN cc_start: 0.7877 (mp10) cc_final: 0.7432 (mp10)
REVERT: U   51 ARG cc_start: 0.8120 (tmm-80) cc_final: 0.7200 (ttm170)
REVERT: V   17 GLU cc_start: 0.8160 (mp0) cc_final: 0.7891 (mp0)
REVERT: V   41 THR cc_start: 0.7782 (m) cc_final: 0.7526 (m)
REVERT: V   68 LYS cc_start: 0.8866 (tttp) cc_final: 0.8641 (ttpt)
REVERT: V   80 LYS cc_start: 0.8750 (ttmm) cc_final: 0.8286 (tptp)
REVERT: W   20 ILE cc_start: 0.7468 (mm) cc_final: 0.7243 (mp)
REVERT: W   37 LYS cc_start: 0.8531 (mtpt) cc_final: 0.8117 (mtpp)
REVERT: W   60 ARG cc_start: 0.8668 (mtt180) cc_final: 0.8415 (mtp85)
REVERT: X   54 ARG cc_start: 0.7943 (ptt-90) cc_final: 0.7642 (ptt90)
REVERT: Y   39 GLU cc_start: 0.8465 (mm-30) cc_final: 0.8258 (mm-30)
REVERT: Y   54 GLN cc_start: 0.8727 (tt0) cc_final: 0.8063 (tt0)
REVERT: Y   69 ASN cc_start: 0.8702 (m110) cc_final: 0.8400 (m-40)
REVERT: Y   81 GLN cc_start: 0.7935 (mm-40) cc_final: 0.7708 (mm-40)
REVERT: Z   17 ARG cc_start: 0.7232 (ttt90) cc_final: 0.6444 (ttt-90)
REVERT: Z   20 ARG cc_start: 0.7079 (ptp-170) cc_final: 0.6254 (tmt170)
REVERT: Z   28 LEU cc_start: 0.8938 (OUTLIER) cc_final: 0.8635 (mm)
REVERT: Z   54 ARG cc_start: 0.8562 (mtp180) cc_final: 0.7982 (tmt90)
REVERT: Z   61 ARG cc_start: 0.7518 (OUTLIER) cc_final: 0.6290 (ppt90)
REVERT: a   25 GLU cc_start: 0.7390 (OUTLIER) cc_final: 0.7135 (pm20)
REVERT: a   33 LEU cc_start: 0.5451 (OUTLIER) cc_final: 0.4775 (pt)
REVERT: a  185 LEU cc_start: 0.4295 (OUTLIER) cc_final: 0.3789 (mt)
  outliers start: 444
  outliers final: 245
  residues processed: 1840
  average time/residue: 2.0566
  time to fit residues: 5532.0366
Evaluate side-chains
  1864 residues out of total 4910 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 290
    poor density    : 1574
  time to evaluate  : 6.413 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain b residue   13 ARG
Chi-restraints excluded: chain b residue   44 ASN
Chi-restraints excluded: chain b residue   48 ILE
Chi-restraints excluded: chain b residue   50 THR
Chi-restraints excluded: chain b residue   52 HIS
Chi-restraints excluded: chain b residue   76 VAL
Chi-restraints excluded: chain b residue  117 SER
Chi-restraints excluded: chain b residue  143 VAL
Chi-restraints excluded: chain b residue  156 SER
Chi-restraints excluded: chain b residue  159 THR
Chi-restraints excluded: chain b residue  161 VAL
Chi-restraints excluded: chain b residue  172 THR
Chi-restraints excluded: chain b residue  258 SER
Chi-restraints excluded: chain b residue  263 ASP
Chi-restraints excluded: chain c residue   13 ARG
Chi-restraints excluded: chain c residue   14 ILE
Chi-restraints excluded: chain c residue   22 ILE
Chi-restraints excluded: chain c residue   37 VAL
Chi-restraints excluded: chain c residue   39 ASP
Chi-restraints excluded: chain c residue   60 VAL
Chi-restraints excluded: chain c residue   84 LEU
Chi-restraints excluded: chain c residue  103 ASP
Chi-restraints excluded: chain c residue  105 LYS
Chi-restraints excluded: chain c residue  110 THR
Chi-restraints excluded: chain c residue  122 VAL
Chi-restraints excluded: chain c residue  126 ASN
Chi-restraints excluded: chain c residue  131 ASP
Chi-restraints excluded: chain c residue  138 LEU
Chi-restraints excluded: chain c residue  155 VAL
Chi-restraints excluded: chain c residue  169 ARG
Chi-restraints excluded: chain c residue  193 VAL
Chi-restraints excluded: chain d residue   33 VAL
Chi-restraints excluded: chain d residue   53 THR
Chi-restraints excluded: chain d residue   63 LYS
Chi-restraints excluded: chain d residue   72 SER
Chi-restraints excluded: chain d residue   75 SER
Chi-restraints excluded: chain d residue   91 ASP
Chi-restraints excluded: chain d residue  149 ILE
Chi-restraints excluded: chain d residue  162 ARG
Chi-restraints excluded: chain d residue  184 ASP
Chi-restraints excluded: chain d residue  187 VAL
Chi-restraints excluded: chain e residue   39 VAL
Chi-restraints excluded: chain e residue   43 ILE
Chi-restraints excluded: chain e residue  107 VAL
Chi-restraints excluded: chain e residue  128 SER
Chi-restraints excluded: chain f residue   18 ILE
Chi-restraints excluded: chain f residue   37 ASN
Chi-restraints excluded: chain f residue   49 LEU
Chi-restraints excluded: chain f residue   70 LEU
Chi-restraints excluded: chain f residue   88 LEU
Chi-restraints excluded: chain f residue  112 VAL
Chi-restraints excluded: chain f residue  113 ASP
Chi-restraints excluded: chain f residue  132 LEU
Chi-restraints excluded: chain g residue   62 LEU
Chi-restraints excluded: chain g residue  130 VAL
Chi-restraints excluded: chain h residue    3 LEU
Chi-restraints excluded: chain h residue   82 ILE
Chi-restraints excluded: chain h residue   86 MET
Chi-restraints excluded: chain i residue   16 MET
Chi-restraints excluded: chain i residue  117 THR
Chi-restraints excluded: chain i residue  125 THR
Chi-restraints excluded: chain i residue  129 GLU
Chi-restraints excluded: chain j residue    3 THR
Chi-restraints excluded: chain j residue   21 THR
Chi-restraints excluded: chain j residue   28 LEU
Chi-restraints excluded: chain j residue   60 ASP
Chi-restraints excluded: chain j residue   67 ASN
Chi-restraints excluded: chain j residue   70 THR
Chi-restraints excluded: chain j residue   78 THR
Chi-restraints excluded: chain j residue   84 ILE
Chi-restraints excluded: chain j residue   88 THR
Chi-restraints excluded: chain j residue  140 LEU
Chi-restraints excluded: chain k residue    8 LEU
Chi-restraints excluded: chain k residue   29 HIS
Chi-restraints excluded: chain k residue   58 LEU
Chi-restraints excluded: chain k residue   61 VAL
Chi-restraints excluded: chain k residue   76 VAL
Chi-restraints excluded: chain k residue  104 THR
Chi-restraints excluded: chain l residue    3 LEU
Chi-restraints excluded: chain l residue   47 ARG
Chi-restraints excluded: chain l residue   55 MET
Chi-restraints excluded: chain l residue   68 SER
Chi-restraints excluded: chain l residue   73 ILE
Chi-restraints excluded: chain l residue   89 VAL
Chi-restraints excluded: chain l residue  101 ILE
Chi-restraints excluded: chain l residue  127 VAL
Chi-restraints excluded: chain m residue   12 MET
Chi-restraints excluded: chain m residue   42 THR
Chi-restraints excluded: chain m residue   80 VAL
Chi-restraints excluded: chain m residue  128 THR
Chi-restraints excluded: chain m residue  129 THR
Chi-restraints excluded: chain m residue  132 THR
Chi-restraints excluded: chain n residue   14 SER
Chi-restraints excluded: chain n residue   15 SER
Chi-restraints excluded: chain n residue   46 ARG
Chi-restraints excluded: chain n residue   76 VAL
Chi-restraints excluded: chain n residue   97 ILE
Chi-restraints excluded: chain n residue  113 ILE
Chi-restraints excluded: chain o residue    4 LYS
Chi-restraints excluded: chain o residue    7 ARG
Chi-restraints excluded: chain o residue    8 ILE
Chi-restraints excluded: chain o residue   15 ARG
Chi-restraints excluded: chain o residue   18 LEU
Chi-restraints excluded: chain o residue   31 THR
Chi-restraints excluded: chain o residue   69 ASP
Chi-restraints excluded: chain o residue   94 ARG
Chi-restraints excluded: chain o residue   95 SER
Chi-restraints excluded: chain o residue  103 VAL
Chi-restraints excluded: chain o residue  108 ASP
Chi-restraints excluded: chain p residue   25 VAL
Chi-restraints excluded: chain p residue   26 GLU
Chi-restraints excluded: chain p residue   40 GLN
Chi-restraints excluded: chain p residue   64 SER
Chi-restraints excluded: chain p residue   70 GLU
Chi-restraints excluded: chain p residue   77 SER
Chi-restraints excluded: chain p residue   79 VAL
Chi-restraints excluded: chain p residue  103 THR
Chi-restraints excluded: chain q residue    7 VAL
Chi-restraints excluded: chain q residue   16 ILE
Chi-restraints excluded: chain q residue   17 LEU
Chi-restraints excluded: chain q residue   33 VAL
Chi-restraints excluded: chain q residue   89 ILE
Chi-restraints excluded: chain r residue    7 SER
Chi-restraints excluded: chain r residue   47 VAL
Chi-restraints excluded: chain r residue   68 ARG
Chi-restraints excluded: chain r residue   78 ARG
Chi-restraints excluded: chain r residue   94 THR
Chi-restraints excluded: chain s residue   12 SER
Chi-restraints excluded: chain s residue   40 ASN
Chi-restraints excluded: chain s residue   69 LEU
Chi-restraints excluded: chain s residue   74 ILE
Chi-restraints excluded: chain s residue   92 ARG
Chi-restraints excluded: chain s residue   96 ILE
Chi-restraints excluded: chain s residue   99 ARG
Chi-restraints excluded: chain s residue  107 VAL
Chi-restraints excluded: chain t residue   17 SER
Chi-restraints excluded: chain t residue   31 VAL
Chi-restraints excluded: chain t residue   43 ILE
Chi-restraints excluded: chain t residue   44 LYS
Chi-restraints excluded: chain u residue   27 VAL
Chi-restraints excluded: chain u residue   93 ARG
Chi-restraints excluded: chain v residue   62 THR
Chi-restraints excluded: chain v residue   63 ILE
Chi-restraints excluded: chain v residue   64 VAL
Chi-restraints excluded: chain v residue   65 VAL
Chi-restraints excluded: chain w residue   12 SER
Chi-restraints excluded: chain w residue   17 LEU
Chi-restraints excluded: chain w residue   60 ASP
Chi-restraints excluded: chain w residue   64 LYS
Chi-restraints excluded: chain x residue   12 VAL
Chi-restraints excluded: chain x residue   34 SER
Chi-restraints excluded: chain x residue   39 VAL
Chi-restraints excluded: chain x residue   40 GLU
Chi-restraints excluded: chain x residue   66 VAL
Chi-restraints excluded: chain y residue   21 LEU
Chi-restraints excluded: chain y residue   56 LEU
Chi-restraints excluded: chain z residue   23 LEU
Chi-restraints excluded: chain z residue   30 ARG
Chi-restraints excluded: chain B residue   10 SER
Chi-restraints excluded: chain B residue   17 SER
Chi-restraints excluded: chain B residue   24 VAL
Chi-restraints excluded: chain B residue   33 SER
Chi-restraints excluded: chain B residue   43 THR
Chi-restraints excluded: chain B residue   45 ASP
Chi-restraints excluded: chain C residue   11 VAL
Chi-restraints excluded: chain C residue   16 THR
Chi-restraints excluded: chain D residue    9 VAL
Chi-restraints excluded: chain D residue   41 ARG
Chi-restraints excluded: chain D residue   42 LEU
Chi-restraints excluded: chain E residue    5 THR
Chi-restraints excluded: chain E residue   16 THR
Chi-restraints excluded: chain E residue   32 LEU
Chi-restraints excluded: chain E residue   48 MET
Chi-restraints excluded: chain E residue   58 ILE
Chi-restraints excluded: chain F residue   11 CYS
Chi-restraints excluded: chain F residue   22 VAL
Chi-restraints excluded: chain G residue   15 PHE
Chi-restraints excluded: chain G residue   42 LEU
Chi-restraints excluded: chain G residue   79 VAL
Chi-restraints excluded: chain G residue   81 ASP
Chi-restraints excluded: chain G residue   99 MET
Chi-restraints excluded: chain G residue  126 ASP
Chi-restraints excluded: chain G residue  144 GLU
Chi-restraints excluded: chain G residue  186 VAL
Chi-restraints excluded: chain G residue  188 THR
Chi-restraints excluded: chain H residue   71 ARG
Chi-restraints excluded: chain H residue   96 VAL
Chi-restraints excluded: chain H residue  105 VAL
Chi-restraints excluded: chain H residue  123 LEU
Chi-restraints excluded: chain H residue  130 ARG
Chi-restraints excluded: chain H residue  152 VAL
Chi-restraints excluded: chain H residue  160 GLU
Chi-restraints excluded: chain H residue  185 THR
Chi-restraints excluded: chain H residue  189 HIS
Chi-restraints excluded: chain I residue   14 GLU
Chi-restraints excluded: chain I residue   28 ASP
Chi-restraints excluded: chain I residue   49 ASP
Chi-restraints excluded: chain I residue   63 ILE
Chi-restraints excluded: chain I residue   67 LEU
Chi-restraints excluded: chain I residue   84 ASN
Chi-restraints excluded: chain I residue   97 LEU
Chi-restraints excluded: chain I residue  124 VAL
Chi-restraints excluded: chain I residue  142 VAL
Chi-restraints excluded: chain I residue  180 THR
Chi-restraints excluded: chain I residue  186 GLU
Chi-restraints excluded: chain J residue   25 LYS
Chi-restraints excluded: chain J residue   31 SER
Chi-restraints excluded: chain J residue   35 LEU
Chi-restraints excluded: chain J residue   55 VAL
Chi-restraints excluded: chain J residue  105 ILE
Chi-restraints excluded: chain J residue  119 VAL
Chi-restraints excluded: chain J residue  121 ASN
Chi-restraints excluded: chain J residue  122 VAL
Chi-restraints excluded: chain K residue    2 ARG
Chi-restraints excluded: chain K residue    6 ILE
Chi-restraints excluded: chain K residue   18 VAL
Chi-restraints excluded: chain K residue   29 ILE
Chi-restraints excluded: chain K residue   52 ASN
Chi-restraints excluded: chain K residue   62 MET
Chi-restraints excluded: chain K residue   74 LEU
Chi-restraints excluded: chain K residue   92 THR
Chi-restraints excluded: chain K residue   94 HIS
Chi-restraints excluded: chain L residue   11 ILE
Chi-restraints excluded: chain L residue   31 VAL
Chi-restraints excluded: chain L residue   37 THR
Chi-restraints excluded: chain L residue  123 LEU
Chi-restraints excluded: chain M residue    1 SER
Chi-restraints excluded: chain M residue   57 GLU
Chi-restraints excluded: chain M residue   58 LEU
Chi-restraints excluded: chain M residue   71 VAL
Chi-restraints excluded: chain M residue   87 ARG
Chi-restraints excluded: chain M residue   91 LEU
Chi-restraints excluded: chain M residue  105 THR
Chi-restraints excluded: chain M residue  113 ARG
Chi-restraints excluded: chain M residue  128 VAL
Chi-restraints excluded: chain N residue   28 VAL
Chi-restraints excluded: chain N residue   36 GLN
Chi-restraints excluded: chain N residue   71 ILE
Chi-restraints excluded: chain N residue  121 ARG
Chi-restraints excluded: chain O residue   40 ILE
Chi-restraints excluded: chain O residue   42 LEU
Chi-restraints excluded: chain O residue   44 THR
Chi-restraints excluded: chain P residue   25 SER
Chi-restraints excluded: chain P residue   45 THR
Chi-restraints excluded: chain P residue   58 THR
Chi-restraints excluded: chain P residue   71 ASP
Chi-restraints excluded: chain P residue   73 VAL
Chi-restraints excluded: chain P residue   85 VAL
Chi-restraints excluded: chain P residue   96 ILE
Chi-restraints excluded: chain P residue   99 LEU
Chi-restraints excluded: chain P residue  113 THR
Chi-restraints excluded: chain Q residue   51 VAL
Chi-restraints excluded: chain Q residue   57 THR
Chi-restraints excluded: chain R residue   73 SER
Chi-restraints excluded: chain R residue   84 CYS
Chi-restraints excluded: chain R residue  100 ARG
Chi-restraints excluded: chain R residue  101 THR
Chi-restraints excluded: chain S residue   15 LEU
Chi-restraints excluded: chain S residue   57 SER
Chi-restraints excluded: chain T residue    3 SER
Chi-restraints excluded: chain T residue   21 THR
Chi-restraints excluded: chain T residue   24 THR
Chi-restraints excluded: chain U residue    2 VAL
Chi-restraints excluded: chain U residue    4 ILE
Chi-restraints excluded: chain U residue   23 ASP
Chi-restraints excluded: chain U residue   68 SER
Chi-restraints excluded: chain V residue   15 LYS
Chi-restraints excluded: chain V residue   21 VAL
Chi-restraints excluded: chain V residue   22 VAL
Chi-restraints excluded: chain V residue   56 ASP
Chi-restraints excluded: chain V residue   63 CYS
Chi-restraints excluded: chain V residue   64 ARG
Chi-restraints excluded: chain V residue   69 THR
Chi-restraints excluded: chain V residue   74 LEU
Chi-restraints excluded: chain V residue   82 VAL
Chi-restraints excluded: chain W residue   25 ILE
Chi-restraints excluded: chain W residue   35 SER
Chi-restraints excluded: chain X residue    3 SER
Chi-restraints excluded: chain X residue   57 VAL
Chi-restraints excluded: chain X residue   62 THR
Chi-restraints excluded: chain Y residue    5 SER
Chi-restraints excluded: chain Y residue   20 ASN
Chi-restraints excluded: chain Y residue   75 LYS
Chi-restraints excluded: chain Z residue   18 PHE
Chi-restraints excluded: chain Z residue   28 LEU
Chi-restraints excluded: chain Z residue   61 ARG
Chi-restraints excluded: chain a residue   25 GLU
Chi-restraints excluded: chain a residue   33 LEU
Chi-restraints excluded: chain a residue  166 ASP
Chi-restraints excluded: chain a residue  185 LEU
Rotamers are restrained with sigma=3.50
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 1057
   random chunks:
   chunk 850 optimal weight:   30.0000
   chunk 579 optimal weight:   10.0000
   chunk 14 optimal weight:    3.9990
   chunk 760 optimal weight:   30.0000
   chunk 421 optimal weight:    6.9990
   chunk 871 optimal weight:   10.0000
   chunk 706 optimal weight:   20.0000
   chunk 1 optimal weight:    0.7980
   chunk 521 optimal weight:    9.9990
   chunk 917 optimal weight:   10.0000
   chunk 257 optimal weight:    5.9990
   overall best weight:    5.5588

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

Flipped N/Q/H residues before XYZ refinement:
f  44 HIS
** f  72 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** f 115 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
g  11 ASN
** g  73 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** h  57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** i  42 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
j  80 HIS
k   9 ASN
m   3 GLN
** n  31 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
p  14 GLN
p  74 GLN
r  12 HIS
** r  82 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** t  48 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
u  52 ASN
w   8 ASN
** z  48 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
G  14 HIS
** G  38 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
H  31 ASN
I 197 HIS
J  60 GLN
** K  11 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** K  68 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
** L  67 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
L 141 HIS
L 147 ASN
M  37 ASN
N   4 GLN
N  49 GLN
Q   5 GLN
Q  71 HIS
R  11 HIS
R  51 GLN
R 104 ASN
** T  41 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** T  45 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
T  61 GLN
** U  26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** U  63 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
** Y   2 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
Y  12 GLN

Total number of N/Q/H flips: 26

-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8342
moved from start:          0.3460

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.006   0.081 163217  Z= 0.349
  Angle     :  0.677  12.409 244200  Z= 0.345
  Chirality :  0.040   0.334  31236
  Planarity :  0.005   0.069  13083
  Dihedral  : 23.164 179.871  81780
  Min Nonbonded Distance : 2.055

Molprobity Statistics.
  All-atom Clashscore : 14.74
  Ramachandran Plot:
    Outliers :  0.24 %
    Allowed  :  9.34 %
    Favored  : 90.42 %
  Rotamer:
    Outliers :  9.35 %
    Allowed  : 30.12 %
    Favored  : 60.53 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.02 %

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: -2.41 (0.10), residues: 5919
  helix: -0.77 (0.12), residues: 1839
  sheet: -1.69 (0.15), residues: 1033
  loop : -2.10 (0.11), residues: 3047

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.023   0.002   TRP b 212 
 HIS   0.015   0.001   HIS I 197 
 PHE   0.033   0.002   PHE y  26 
 TYR   0.035   0.002   TYR o  99 
 ARG   0.010   0.001   ARG K  24 

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

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

  11838 Ramachandran restraints generated.
    5919 Oldfield, 0 Emsley, 5919 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  11838 Ramachandran restraints generated.
    5919 Oldfield, 0 Emsley, 5919 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  2080 residues out of total 4910 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 459
    poor density    : 1621
  time to evaluate  : 6.527 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: 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: b   13 ARG cc_start: 0.8911 (OUTLIER) cc_final: 0.8111 (ptp-110)
REVERT: b   44 ASN cc_start: 0.8485 (OUTLIER) cc_final: 0.8007 (OUTLIER)
REVERT: b   97 ASP cc_start: 0.8220 (p0) cc_final: 0.7880 (p0)
REVERT: b   99 GLU cc_start: 0.6938 (tt0) cc_final: 0.6642 (pt0)
REVERT: b  144 GLU cc_start: 0.8319 (mt-10) cc_final: 0.8076 (mt-10)
REVERT: b  224 MET cc_start: 0.8447 (mmm) cc_final: 0.8153 (mmt)
REVERT: c   13 ARG cc_start: 0.8845 (OUTLIER) cc_final: 0.7069 (ptt-90)
REVERT: c   28 GLU cc_start: 0.7777 (tp30) cc_final: 0.7179 (tp30)
REVERT: c  138 LEU cc_start: 0.9225 (mp) cc_final: 0.9020 (mp)
REVERT: c  169 ARG cc_start: 0.8678 (OUTLIER) cc_final: 0.8251 (mmm160)
REVERT: d   24 ASN cc_start: 0.8880 (t0) cc_final: 0.8530 (t0)
REVERT: d   35 TYR cc_start: 0.8671 (t80) cc_final: 0.8402 (t80)
REVERT: d  111 GLU cc_start: 0.8421 (tp30) cc_final: 0.8042 (tp30)
REVERT: d  132 LYS cc_start: 0.8252 (tttm) cc_final: 0.7969 (ttpp)
REVERT: d  149 ILE cc_start: 0.8800 (OUTLIER) cc_final: 0.8549 (pp)
REVERT: d  162 ARG cc_start: 0.8327 (OUTLIER) cc_final: 0.7980 (ttp-110)
REVERT: d  168 ASP cc_start: 0.8624 (t0) cc_final: 0.8190 (t0)
REVERT: d  198 GLU cc_start: 0.8361 (mp0) cc_final: 0.8088 (mp0)
REVERT: e  129 MET cc_start: 0.8387 (ppp) cc_final: 0.8144 (ppp)
REVERT: e  155 ILE cc_start: 0.8587 (mt) cc_final: 0.8298 (pp)
REVERT: f   21 GLN cc_start: 0.7840 (tp40) cc_final: 0.6834 (tp40)
REVERT: f   31 GLU cc_start: 0.9348 (tm-30) cc_final: 0.9090 (tm-30)
REVERT: f   38 ASP cc_start: 0.8654 (p0) cc_final: 0.8350 (p0)
REVERT: g    2 GLN cc_start: 0.7164 (pp30) cc_final: 0.6896 (pp30)
REVERT: h    1 MET cc_start: 0.6558 (tmm) cc_final: 0.5420 (tmt)
REVERT: h   38 MET cc_start: 0.5412 (mmt) cc_final: 0.3254 (mpt)
REVERT: h   60 LEU cc_start: 0.7638 (tp) cc_final: 0.7366 (mp)
REVERT: h   82 ILE cc_start: 0.0985 (OUTLIER) cc_final: -0.0045 (pp)
REVERT: h   86 MET cc_start: 0.2735 (OUTLIER) cc_final: 0.2259 (tpp)
REVERT: j   69 ARG cc_start: 0.8732 (OUTLIER) cc_final: 0.8297 (mtp-110)
REVERT: j   75 TYR cc_start: 0.8338 (m-80) cc_final: 0.8009 (m-80)
REVERT: k   29 HIS cc_start: 0.8225 (OUTLIER) cc_final: 0.7794 (t-90)
REVERT: k   92 GLU cc_start: 0.8212 (OUTLIER) cc_final: 0.7482 (mm-30)
REVERT: k  105 ARG cc_start: 0.8706 (tpp80) cc_final: 0.8497 (tpp80)
REVERT: k  112 PHE cc_start: 0.8777 (m-80) cc_final: 0.8428 (m-10)
REVERT: l   19 LEU cc_start: 0.9063 (mp) cc_final: 0.8838 (tp)
REVERT: l   47 ARG cc_start: 0.8668 (OUTLIER) cc_final: 0.7253 (ptt90)
REVERT: l   77 ILE cc_start: 0.9145 (pt) cc_final: 0.8752 (pp)
REVERT: l   78 ARG cc_start: 0.8214 (OUTLIER) cc_final: 0.7511 (mtt180)
REVERT: l  136 GLU cc_start: 0.7877 (OUTLIER) cc_final: 0.7638 (mp0)
REVERT: l  143 GLU cc_start: 0.6409 (pp20) cc_final: 0.6084 (pp20)
REVERT: m    6 ARG cc_start: 0.7314 (ptm-80) cc_final: 0.6889 (ptm-80)
REVERT: m  103 TYR cc_start: 0.8532 (m-80) cc_final: 0.8252 (m-80)
REVERT: m  115 GLU cc_start: 0.7917 (tt0) cc_final: 0.7402 (pt0)
REVERT: n   43 GLU cc_start: 0.8358 (tp30) cc_final: 0.7934 (mp0)
REVERT: n   74 GLU cc_start: 0.7810 (tt0) cc_final: 0.7521 (tt0)
REVERT: n   94 TYR cc_start: 0.9355 (m-80) cc_final: 0.9064 (m-80)
REVERT: o    7 ARG cc_start: 0.8540 (OUTLIER) cc_final: 0.8082 (ttm170)
REVERT: o   15 ARG cc_start: 0.7298 (OUTLIER) cc_final: 0.7021 (mmm160)
REVERT: o   19 GLN cc_start: 0.7496 (pt0) cc_final: 0.7258 (pt0)
REVERT: o   76 LYS cc_start: 0.9017 (tttt) cc_final: 0.8747 (tmmm)
REVERT: o   94 ARG cc_start: 0.8700 (OUTLIER) cc_final: 0.8201 (mtp-110)
REVERT: o  104 GLN cc_start: 0.9001 (tt0) cc_final: 0.8701 (tt0)
REVERT: p    8 GLU cc_start: 0.7632 (mt-10) cc_final: 0.7266 (mt-10)
REVERT: p   23 ASP cc_start: 0.8167 (m-30) cc_final: 0.7750 (m-30)
REVERT: p  110 LYS cc_start: 0.7919 (ttpt) cc_final: 0.7615 (ttpp)
REVERT: q    7 VAL cc_start: 0.8567 (OUTLIER) cc_final: 0.8257 (t)
REVERT: q   21 LYS cc_start: 0.8926 (OUTLIER) cc_final: 0.8227 (mtpt)
REVERT: q   80 ASN cc_start: 0.8393 (t0) cc_final: 0.8167 (t0)
REVERT: q   96 ASP cc_start: 0.8032 (t70) cc_final: 0.7595 (t70)
REVERT: r   60 LYS cc_start: 0.8871 (mtmm) cc_final: 0.8481 (ptpt)
REVERT: r   78 ARG cc_start: 0.8619 (OUTLIER) cc_final: 0.8225 (mmt90)
REVERT: r   85 LYS cc_start: 0.8880 (OUTLIER) cc_final: 0.8501 (ttpp)
REVERT: s    8 ARG cc_start: 0.8008 (mtp-110) cc_final: 0.7695 (mtm180)
REVERT: s   31 GLN cc_start: 0.8922 (tm-30) cc_final: 0.8586 (tm-30)
REVERT: s   40 ASN cc_start: 0.8956 (OUTLIER) cc_final: 0.8561 (m110)
REVERT: s   69 LEU cc_start: 0.8403 (tp) cc_final: 0.8162 (mt)
REVERT: s   92 ARG cc_start: 0.7718 (OUTLIER) cc_final: 0.6830 (ptm-80)
REVERT: t   43 ILE cc_start: 0.9070 (OUTLIER) cc_final: 0.8858 (mp)
REVERT: t   44 LYS cc_start: 0.8943 (OUTLIER) cc_final: 0.8629 (ttmt)
REVERT: t   69 ARG cc_start: 0.8402 (ttp-110) cc_final: 0.7792 (mtp85)
REVERT: u    9 GLU cc_start: 0.8915 (tp30) cc_final: 0.8677 (tp30)
REVERT: u   36 GLU cc_start: 0.8092 (pm20) cc_final: 0.7530 (pm20)
REVERT: u   59 GLU cc_start: 0.8157 (tp30) cc_final: 0.7408 (tm-30)
REVERT: u   93 ARG cc_start: 0.8280 (OUTLIER) cc_final: 0.7332 (ptm-80)
REVERT: v    7 GLU cc_start: 0.7834 (pp20) cc_final: 0.7549 (pp20)
REVERT: v   41 GLU cc_start: 0.7399 (tm-30) cc_final: 0.6840 (tm-30)
REVERT: w   64 LYS cc_start: 0.8194 (OUTLIER) cc_final: 0.7427 (tptp)
REVERT: x    5 GLN cc_start: 0.8303 (mm-40) cc_final: 0.7549 (mp10)
REVERT: x   67 LEU cc_start: 0.8747 (mt) cc_final: 0.8432 (tt)
REVERT: x   71 ARG cc_start: 0.8078 (mtm180) cc_final: 0.7739 (mtm180)
REVERT: y   13 GLU cc_start: 0.8909 (pp20) cc_final: 0.8278 (pp20)
REVERT: y   17 GLU cc_start: 0.9288 (tm-30) cc_final: 0.8910 (tm-30)
REVERT: y   27 ASN cc_start: 0.9239 (m110) cc_final: 0.8768 (m110)
REVERT: y   38 GLN cc_start: 0.6894 (mm110) cc_final: 0.6691 (mm110)
REVERT: y   39 GLN cc_start: 0.7936 (mt0) cc_final: 0.7351 (mt0)
REVERT: y   44 LYS cc_start: 0.8981 (tttp) cc_final: 0.8342 (ttpt)
REVERT: y   48 ARG cc_start: 0.8113 (mmt90) cc_final: 0.7244 (mmt180)
REVERT: y   52 ARG cc_start: 0.8636 (ttm110) cc_final: 0.7943 (ttp-110)
REVERT: B   14 MET cc_start: 0.8413 (mtm) cc_final: 0.8120 (mtm)
REVERT: D    2 LYS cc_start: 0.8927 (ttpt) cc_final: 0.8334 (ptmt)
REVERT: D    4 THR cc_start: 0.8673 (p) cc_final: 0.8418 (p)
REVERT: E   51 LYS cc_start: 0.8210 (OUTLIER) cc_final: 0.7961 (pttt)
REVERT: E   63 TYR cc_start: 0.8211 (m-80) cc_final: 0.7780 (m-80)
REVERT: F   11 CYS cc_start: 0.8226 (OUTLIER) cc_final: 0.7896 (p)
REVERT: G    6 ARG cc_start: 0.8974 (ptm-80) cc_final: 0.8662 (ptp-170)
REVERT: G    8 MET cc_start: 0.9223 (ptp) cc_final: 0.8632 (ptt)
REVERT: G   15 PHE cc_start: 0.8362 (OUTLIER) cc_final: 0.7678 (m-80)
REVERT: G   18 GLN cc_start: 0.8500 (mt0) cc_final: 0.8245 (tt0)
REVERT: G   55 GLU cc_start: 0.8569 (tp30) cc_final: 0.8209 (tp30)
REVERT: G   99 MET cc_start: 0.8260 (OUTLIER) cc_final: 0.7811 (mpp)
REVERT: G  107 ARG cc_start: 0.8313 (ttm170) cc_final: 0.8016 (ttp-110)
REVERT: G  144 GLU cc_start: 0.7500 (OUTLIER) cc_final: 0.7156 (tt0)
REVERT: G  145 ASN cc_start: 0.8848 (m-40) cc_final: 0.8249 (OUTLIER)
REVERT: G  167 HIS cc_start: 0.8906 (t-90) cc_final: 0.8051 (t-90)
REVERT: G  216 VAL cc_start: 0.8376 (m) cc_final: 0.7985 (p)
REVERT: H   71 ARG cc_start: 0.7916 (OUTLIER) cc_final: 0.6906 (tpp80)
REVERT: H   84 GLU cc_start: 0.8462 (tp30) cc_final: 0.7442 (tp30)
REVERT: H   85 LYS cc_start: 0.8938 (tmtt) cc_final: 0.8718 (tptp)
REVERT: H   88 LYS cc_start: 0.8942 (pttm) cc_final: 0.8369 (pttm)
REVERT: H  139 ASN cc_start: 0.8783 (m110) cc_final: 0.8140 (t0)
REVERT: H  151 GLU cc_start: 0.7661 (tm-30) cc_final: 0.7188 (tm-30)
REVERT: H  168 ARG cc_start: 0.8325 (ptp-170) cc_final: 0.8027 (ptp-170)
REVERT: H  169 GLU cc_start: 0.8304 (tm-30) cc_final: 0.7565 (tm-30)
REVERT: H  206 ILE cc_start: 0.6266 (tt) cc_final: 0.5781 (mt)
REVERT: I   14 GLU cc_start: 0.7724 (OUTLIER) cc_final: 0.7396 (mp0)
REVERT: I   29 THR cc_start: 0.8953 (OUTLIER) cc_final: 0.8676 (p)
REVERT: I  120 LYS cc_start: 0.8101 (mttt) cc_final: 0.7588 (mmmt)
REVERT: I  123 MET cc_start: 0.7952 (ptp) cc_final: 0.7474 (ppp)
REVERT: I  197 HIS cc_start: 0.7334 (OUTLIER) cc_final: 0.7094 (t-90)
REVERT: J   11 GLN cc_start: 0.7758 (tt0) cc_final: 0.7408 (tt0)
REVERT: J  121 ASN cc_start: 0.8065 (OUTLIER) cc_final: 0.7320 (p0)
REVERT: J  143 LEU cc_start: 0.9186 (mp) cc_final: 0.8902 (mt)
REVERT: J  146 MET cc_start: 0.7742 (ptm) cc_final: 0.7518 (ppp)
REVERT: K    2 ARG cc_start: 0.6991 (OUTLIER) cc_final: 0.6516 (mtt180)
REVERT: K   33 GLU cc_start: 0.8802 (pt0) cc_final: 0.8387 (pp20)
REVERT: K   56 LYS cc_start: 0.7994 (mtmt) cc_final: 0.7619 (tmtp)
REVERT: K   62 MET cc_start: 0.8431 (OUTLIER) cc_final: 0.8193 (mtp)
REVERT: K   65 GLU cc_start: 0.7879 (tt0) cc_final: 0.7290 (tm-30)
REVERT: L   11 ILE cc_start: 0.3078 (OUTLIER) cc_final: 0.2808 (pt)
REVERT: L   67 ASN cc_start: 0.7215 (t0) cc_final: 0.6994 (t0)
REVERT: L  102 TRP cc_start: 0.8916 (m-10) cc_final: 0.8625 (m-10)
REVERT: L  123 LEU cc_start: 0.8925 (OUTLIER) cc_final: 0.8690 (mm)
REVERT: L  129 ASN cc_start: 0.9217 (p0) cc_final: 0.8825 (p0)
REVERT: L  142 ARG cc_start: 0.8898 (mmt90) cc_final: 0.8607 (mmm-85)
REVERT: L  143 MET cc_start: 0.7949 (mmm) cc_final: 0.7579 (tpt)
REVERT: M   46 GLU cc_start: 0.8198 (pp20) cc_final: 0.7606 (pp20)
REVERT: M  117 GLN cc_start: 0.7661 (pp30) cc_final: 0.6990 (pp30)
REVERT: N   29 ILE cc_start: 0.8335 (pt) cc_final: 0.8046 (pp)
REVERT: N   45 MET cc_start: 0.7177 (OUTLIER) cc_final: 0.6973 (tmt)
REVERT: N   52 GLU cc_start: 0.8317 (mm-30) cc_final: 0.7848 (mm-30)
REVERT: N   71 ILE cc_start: 0.9147 (OUTLIER) cc_final: 0.8622 (mm)
REVERT: N  119 LYS cc_start: 0.8323 (ptmm) cc_final: 0.7614 (ptmm)
REVERT: O   24 GLU cc_start: 0.8314 (OUTLIER) cc_final: 0.8097 (pm20)
REVERT: P   33 ILE cc_start: 0.8160 (mt) cc_final: 0.7860 (mp)
REVERT: P   63 GLN cc_start: 0.8563 (tt0) cc_final: 0.8061 (mt0)
REVERT: Q   79 ILE cc_start: 0.8747 (OUTLIER) cc_final: 0.8472 (pp)
REVERT: R   38 ILE cc_start: 0.7977 (mm) cc_final: 0.7698 (mm)
REVERT: R   40 GLU cc_start: 0.6609 (mp0) cc_final: 0.6313 (mp0)
REVERT: R   57 ASP cc_start: 0.9099 (OUTLIER) cc_final: 0.8889 (p0)
REVERT: R   62 PHE cc_start: 0.6644 (t80) cc_final: 0.6088 (t80)
REVERT: R   85 TYR cc_start: 0.8604 (t80) cc_final: 0.8372 (t80)
REVERT: R   97 ARG cc_start: 0.7638 (mmm-85) cc_final: 0.6616 (mmt90)
REVERT: R  102 LYS cc_start: 0.8673 (tttt) cc_final: 0.8286 (ttmm)
REVERT: S   11 LYS cc_start: 0.9178 (tmmm) cc_final: 0.8546 (tmmm)
REVERT: S   15 LEU cc_start: 0.8647 (mp) cc_final: 0.8324 (mp)
REVERT: S   46 LYS cc_start: 0.8330 (tppt) cc_final: 0.8054 (tppp)
REVERT: S   75 LYS cc_start: 0.8905 (tppt) cc_final: 0.8664 (ttmm)
REVERT: S   89 ARG cc_start: 0.7771 (mtp85) cc_final: 0.7422 (mtp-110)
REVERT: T   13 GLU cc_start: 0.7772 (tm-30) cc_final: 0.7302 (tm-30)
REVERT: T   14 PHE cc_start: 0.8725 (m-80) cc_final: 0.8126 (m-10)
REVERT: T   47 LYS cc_start: 0.8677 (mptp) cc_final: 0.8264 (mtmt)
REVERT: T   64 LYS cc_start: 0.8634 (mttt) cc_final: 0.8387 (mptt)
REVERT: T   83 ARG cc_start: 0.7932 (ttt180) cc_final: 0.7470 (ttt-90)
REVERT: U   12 LYS cc_start: 0.7027 (ttpp) cc_final: 0.6703 (tttm)
REVERT: U   13 LYS cc_start: 0.8104 (tppt) cc_final: 0.7610 (mptm)
REVERT: U   18 GLN cc_start: 0.7821 (mp10) cc_final: 0.7370 (mp10)
REVERT: U   51 ARG cc_start: 0.8114 (tmm-80) cc_final: 0.7193 (ttm170)
REVERT: V   41 THR cc_start: 0.7765 (m) cc_final: 0.7495 (m)
REVERT: V   68 LYS cc_start: 0.8874 (tttp) cc_final: 0.8666 (ttpt)
REVERT: V   80 LYS cc_start: 0.8739 (ttmm) cc_final: 0.8207 (tptp)
REVERT: W   20 ILE cc_start: 0.7485 (mm) cc_final: 0.7261 (mp)
REVERT: W   37 LYS cc_start: 0.8471 (mtpt) cc_final: 0.8048 (mtpp)
REVERT: W   58 ILE cc_start: 0.9211 (mt) cc_final: 0.8813 (mt)
REVERT: W   60 ARG cc_start: 0.8722 (mtt180) cc_final: 0.8396 (mtp85)
REVERT: X   44 ILE cc_start: 0.8621 (mp) cc_final: 0.8400 (mp)
REVERT: Y   53 MET cc_start: 0.8051 (tmm) cc_final: 0.7241 (tmm)
REVERT: Y   54 GLN cc_start: 0.8637 (tt0) cc_final: 0.8026 (tt0)
REVERT: Y   69 ASN cc_start: 0.8680 (m110) cc_final: 0.8372 (m-40)
REVERT: Y   81 GLN cc_start: 0.7944 (mm-40) cc_final: 0.7628 (mm-40)
REVERT: Z   17 ARG cc_start: 0.7267 (ttt90) cc_final: 0.6442 (ttt-90)
REVERT: Z   20 ARG cc_start: 0.7078 (ptp-170) cc_final: 0.6177 (tmt170)
REVERT: Z   28 LEU cc_start: 0.8938 (OUTLIER) cc_final: 0.8676 (mm)
REVERT: Z   48 LYS cc_start: 0.7808 (OUTLIER) cc_final: 0.6433 (tptm)
REVERT: Z   54 ARG cc_start: 0.8541 (mtp180) cc_final: 0.7915 (tmt90)
REVERT: Z   61 ARG cc_start: 0.7525 (OUTLIER) cc_final: 0.6311 (ppt90)
REVERT: a   25 GLU cc_start: 0.7287 (OUTLIER) cc_final: 0.7052 (pm20)
  outliers start: 459
  outliers final: 276
  residues processed: 1834
  average time/residue: 2.0564
  time to fit residues: 5526.1529
Evaluate side-chains
  1874 residues out of total 4910 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 324
    poor density    : 1550
  time to evaluate  : 6.540 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain b residue   13 ARG
Chi-restraints excluded: chain b residue   44 ASN
Chi-restraints excluded: chain b residue   48 ILE
Chi-restraints excluded: chain b residue   50 THR
Chi-restraints excluded: chain b residue   52 HIS
Chi-restraints excluded: chain b residue   76 VAL
Chi-restraints excluded: chain b residue   86 ARG
Chi-restraints excluded: chain b residue  117 SER
Chi-restraints excluded: chain b residue  143 VAL
Chi-restraints excluded: chain b residue  159 THR
Chi-restraints excluded: chain b residue  161 VAL
Chi-restraints excluded: chain b residue  172 THR
Chi-restraints excluded: chain b residue  258 SER
Chi-restraints excluded: chain b residue  263 ASP
Chi-restraints excluded: chain c residue   13 ARG
Chi-restraints excluded: chain c residue   14 ILE
Chi-restraints excluded: chain c residue   22 ILE
Chi-restraints excluded: chain c residue   39 ASP
Chi-restraints excluded: chain c residue   43 ASP
Chi-restraints excluded: chain c residue   60 VAL
Chi-restraints excluded: chain c residue   84 LEU
Chi-restraints excluded: chain c residue  103 ASP
Chi-restraints excluded: chain c residue  105 LYS
Chi-restraints excluded: chain c residue  110 THR
Chi-restraints excluded: chain c residue  122 VAL
Chi-restraints excluded: chain c residue  126 ASN
Chi-restraints excluded: chain c residue  131 ASP
Chi-restraints excluded: chain c residue  155 VAL
Chi-restraints excluded: chain c residue  169 ARG
Chi-restraints excluded: chain c residue  197 THR
Chi-restraints excluded: chain d residue   15 SER
Chi-restraints excluded: chain d residue   33 VAL
Chi-restraints excluded: chain d residue   53 THR
Chi-restraints excluded: chain d residue   63 LYS
Chi-restraints excluded: chain d residue   72 SER
Chi-restraints excluded: chain d residue   75 SER
Chi-restraints excluded: chain d residue   80 SER
Chi-restraints excluded: chain d residue   91 ASP
Chi-restraints excluded: chain d residue   96 VAL
Chi-restraints excluded: chain d residue  149 ILE
Chi-restraints excluded: chain d residue  162 ARG
Chi-restraints excluded: chain d residue  184 ASP
Chi-restraints excluded: chain d residue  187 VAL
Chi-restraints excluded: chain e residue   39 VAL
Chi-restraints excluded: chain e residue  107 VAL
Chi-restraints excluded: chain e residue  128 SER
Chi-restraints excluded: chain e residue  141 ASP
Chi-restraints excluded: chain f residue   18 ILE
Chi-restraints excluded: chain f residue   37 ASN
Chi-restraints excluded: chain f residue   41 GLU
Chi-restraints excluded: chain f residue   49 LEU
Chi-restraints excluded: chain f residue   75 VAL
Chi-restraints excluded: chain f residue   88 LEU
Chi-restraints excluded: chain f residue  112 VAL
Chi-restraints excluded: chain f residue  113 ASP
Chi-restraints excluded: chain f residue  126 THR
Chi-restraints excluded: chain f residue  147 LEU
Chi-restraints excluded: chain g residue   62 LEU
Chi-restraints excluded: chain h residue    3 LEU
Chi-restraints excluded: chain h residue   82 ILE
Chi-restraints excluded: chain h residue   86 MET
Chi-restraints excluded: chain i residue  117 THR
Chi-restraints excluded: chain i residue  125 THR
Chi-restraints excluded: chain i residue  129 GLU
Chi-restraints excluded: chain j residue    3 THR
Chi-restraints excluded: chain j residue   21 THR
Chi-restraints excluded: chain j residue   28 LEU
Chi-restraints excluded: chain j residue   60 ASP
Chi-restraints excluded: chain j residue   67 ASN
Chi-restraints excluded: chain j residue   69 ARG
Chi-restraints excluded: chain j residue   70 THR
Chi-restraints excluded: chain j residue   78 THR
Chi-restraints excluded: chain j residue   84 ILE
Chi-restraints excluded: chain j residue   88 THR
Chi-restraints excluded: chain j residue  140 LEU
Chi-restraints excluded: chain k residue    8 LEU
Chi-restraints excluded: chain k residue   29 HIS
Chi-restraints excluded: chain k residue   58 LEU
Chi-restraints excluded: chain k residue   61 VAL
Chi-restraints excluded: chain k residue   65 THR
Chi-restraints excluded: chain k residue   76 VAL
Chi-restraints excluded: chain k residue   78 ARG
Chi-restraints excluded: chain k residue   82 ASN
Chi-restraints excluded: chain k residue   88 ASN
Chi-restraints excluded: chain k residue   92 GLU
Chi-restraints excluded: chain k residue  104 THR
Chi-restraints excluded: chain l residue    3 LEU
Chi-restraints excluded: chain l residue   47 ARG
Chi-restraints excluded: chain l residue   55 MET
Chi-restraints excluded: chain l residue   68 SER
Chi-restraints excluded: chain l residue   73 ILE
Chi-restraints excluded: chain l residue   78 ARG
Chi-restraints excluded: chain l residue  101 ILE
Chi-restraints excluded: chain l residue  127 VAL
Chi-restraints excluded: chain l residue  136 GLU
Chi-restraints excluded: chain m residue   12 MET
Chi-restraints excluded: chain m residue   95 LEU
Chi-restraints excluded: chain m residue  128 THR
Chi-restraints excluded: chain m residue  129 THR
Chi-restraints excluded: chain m residue  132 THR
Chi-restraints excluded: chain n residue    6 SER
Chi-restraints excluded: chain n residue   14 SER
Chi-restraints excluded: chain n residue   15 SER
Chi-restraints excluded: chain n residue   18 GLN
Chi-restraints excluded: chain n residue   46 ARG
Chi-restraints excluded: chain n residue   51 LEU
Chi-restraints excluded: chain n residue   76 VAL
Chi-restraints excluded: chain n residue   97 ILE
Chi-restraints excluded: chain n residue  113 ILE
Chi-restraints excluded: chain o residue    7 ARG
Chi-restraints excluded: chain o residue    8 ILE
Chi-restraints excluded: chain o residue   15 ARG
Chi-restraints excluded: chain o residue   18 LEU
Chi-restraints excluded: chain o residue   31 THR
Chi-restraints excluded: chain o residue   58 ILE
Chi-restraints excluded: chain o residue   69 ASP
Chi-restraints excluded: chain o residue   94 ARG
Chi-restraints excluded: chain o residue   95 SER
Chi-restraints excluded: chain o residue  103 VAL
Chi-restraints excluded: chain o residue  108 ASP
Chi-restraints excluded: chain p residue   25 VAL
Chi-restraints excluded: chain p residue   26 GLU
Chi-restraints excluded: chain p residue   64 SER
Chi-restraints excluded: chain p residue   70 GLU
Chi-restraints excluded: chain p residue   79 VAL
Chi-restraints excluded: chain p residue  103 THR
Chi-restraints excluded: chain q residue    7 VAL
Chi-restraints excluded: chain q residue   16 ILE
Chi-restraints excluded: chain q residue   17 LEU
Chi-restraints excluded: chain q residue   21 LYS
Chi-restraints excluded: chain q residue   33 VAL
Chi-restraints excluded: chain q residue   86 SER
Chi-restraints excluded: chain q residue   89 ILE
Chi-restraints excluded: chain r residue    7 SER
Chi-restraints excluded: chain r residue   38 VAL
Chi-restraints excluded: chain r residue   47 VAL
Chi-restraints excluded: chain r residue   68 ARG
Chi-restraints excluded: chain r residue   78 ARG
Chi-restraints excluded: chain r residue   85 LYS
Chi-restraints excluded: chain r residue   94 THR
Chi-restraints excluded: chain s residue   12 SER
Chi-restraints excluded: chain s residue   40 ASN
Chi-restraints excluded: chain s residue   92 ARG
Chi-restraints excluded: chain s residue   96 ILE
Chi-restraints excluded: chain s residue   99 ARG
Chi-restraints excluded: chain s residue  101 SER
Chi-restraints excluded: chain s residue  107 VAL
Chi-restraints excluded: chain t residue    8 LEU
Chi-restraints excluded: chain t residue   17 SER
Chi-restraints excluded: chain t residue   31 VAL
Chi-restraints excluded: chain t residue   43 ILE
Chi-restraints excluded: chain t residue   44 LYS
Chi-restraints excluded: chain t residue   85 VAL
Chi-restraints excluded: chain u residue   11 ILE
Chi-restraints excluded: chain u residue   20 LYS
Chi-restraints excluded: chain u residue   27 VAL
Chi-restraints excluded: chain u residue   93 ARG
Chi-restraints excluded: chain v residue    8 VAL
Chi-restraints excluded: chain v residue   63 ILE
Chi-restraints excluded: chain v residue   64 VAL
Chi-restraints excluded: chain v residue   65 VAL
Chi-restraints excluded: chain w residue   12 SER
Chi-restraints excluded: chain w residue   17 LEU
Chi-restraints excluded: chain w residue   60 ASP
Chi-restraints excluded: chain w residue   64 LYS
Chi-restraints excluded: chain x residue    7 THR
Chi-restraints excluded: chain x residue   12 VAL
Chi-restraints excluded: chain x residue   34 SER
Chi-restraints excluded: chain x residue   39 VAL
Chi-restraints excluded: chain x residue   46 VAL
Chi-restraints excluded: chain x residue   66 VAL
Chi-restraints excluded: chain y residue   21 LEU
Chi-restraints excluded: chain y residue   46 VAL
Chi-restraints excluded: chain z residue   23 LEU
Chi-restraints excluded: chain z residue   30 ARG
Chi-restraints excluded: chain B residue   10 SER
Chi-restraints excluded: chain B residue   24 VAL
Chi-restraints excluded: chain B residue   33 SER
Chi-restraints excluded: chain B residue   42 ILE
Chi-restraints excluded: chain B residue   43 THR
Chi-restraints excluded: chain B residue   45 ASP
Chi-restraints excluded: chain C residue   11 VAL
Chi-restraints excluded: chain C residue   16 THR
Chi-restraints excluded: chain D residue    8 SER
Chi-restraints excluded: chain D residue    9 VAL
Chi-restraints excluded: chain D residue   41 ARG
Chi-restraints excluded: chain D residue   42 LEU
Chi-restraints excluded: chain E residue    5 THR
Chi-restraints excluded: chain E residue   16 THR
Chi-restraints excluded: chain E residue   32 LEU
Chi-restraints excluded: chain E residue   48 MET
Chi-restraints excluded: chain E residue   51 LYS
Chi-restraints excluded: chain E residue   53 ASP
Chi-restraints excluded: chain E residue   58 ILE
Chi-restraints excluded: chain F residue   11 CYS
Chi-restraints excluded: chain F residue   22 VAL
Chi-restraints excluded: chain F residue   26 ILE
Chi-restraints excluded: chain G residue   14 HIS
Chi-restraints excluded: chain G residue   15 PHE
Chi-restraints excluded: chain G residue   42 LEU
Chi-restraints excluded: chain G residue   79 VAL
Chi-restraints excluded: chain G residue   81 ASP
Chi-restraints excluded: chain G residue   99 MET
Chi-restraints excluded: chain G residue  110 ILE
Chi-restraints excluded: chain G residue  126 ASP
Chi-restraints excluded: chain G residue  144 GLU
Chi-restraints excluded: chain G residue  186 VAL
Chi-restraints excluded: chain G residue  188 THR
Chi-restraints excluded: chain H residue   40 GLN
Chi-restraints excluded: chain H residue   57 GLU
Chi-restraints excluded: chain H residue   71 ARG
Chi-restraints excluded: chain H residue   89 VAL
Chi-restraints excluded: chain H residue   96 VAL
Chi-restraints excluded: chain H residue  104 GLU
Chi-restraints excluded: chain H residue  105 VAL
Chi-restraints excluded: chain H residue  123 LEU
Chi-restraints excluded: chain H residue  152 VAL
Chi-restraints excluded: chain H residue  185 THR
Chi-restraints excluded: chain H residue  189 HIS
Chi-restraints excluded: chain H residue  199 VAL
Chi-restraints excluded: chain I residue   14 GLU
Chi-restraints excluded: chain I residue   28 ASP
Chi-restraints excluded: chain I residue   29 THR
Chi-restraints excluded: chain I residue   47 LEU
Chi-restraints excluded: chain I residue   54 LEU
Chi-restraints excluded: chain I residue   63 ILE
Chi-restraints excluded: chain I residue   67 LEU
Chi-restraints excluded: chain I residue   97 LEU
Chi-restraints excluded: chain I residue  124 VAL
Chi-restraints excluded: chain I residue  141 VAL
Chi-restraints excluded: chain I residue  142 VAL
Chi-restraints excluded: chain I residue  180 THR
Chi-restraints excluded: chain I residue  186 GLU
Chi-restraints excluded: chain I residue  197 HIS
Chi-restraints excluded: chain J residue   25 LYS
Chi-restraints excluded: chain J residue   31 SER
Chi-restraints excluded: chain J residue   35 LEU
Chi-restraints excluded: chain J residue   55 VAL
Chi-restraints excluded: chain J residue   68 ARG
Chi-restraints excluded: chain J residue  105 ILE
Chi-restraints excluded: chain J residue  121 ASN
Chi-restraints excluded: chain J residue  122 VAL
Chi-restraints excluded: chain J residue  152 VAL
Chi-restraints excluded: chain K residue    2 ARG
Chi-restraints excluded: chain K residue    6 ILE
Chi-restraints excluded: chain K residue   18 VAL
Chi-restraints excluded: chain K residue   29 ILE
Chi-restraints excluded: chain K residue   52 ASN
Chi-restraints excluded: chain K residue   62 MET
Chi-restraints excluded: chain K residue   74 LEU
Chi-restraints excluded: chain K residue   92 THR
Chi-restraints excluded: chain K residue   94 HIS
Chi-restraints excluded: chain L residue    5 VAL
Chi-restraints excluded: chain L residue   11 ILE
Chi-restraints excluded: chain L residue   31 VAL
Chi-restraints excluded: chain L residue  123 LEU
Chi-restraints excluded: chain M residue   29 SER
Chi-restraints excluded: chain M residue   58 LEU
Chi-restraints excluded: chain M residue   71 VAL
Chi-restraints excluded: chain M residue   91 LEU
Chi-restraints excluded: chain M residue  105 THR
Chi-restraints excluded: chain M residue  128 VAL
Chi-restraints excluded: chain N residue   28 VAL
Chi-restraints excluded: chain N residue   36 GLN
Chi-restraints excluded: chain N residue   45 MET
Chi-restraints excluded: chain N residue   46 VAL
Chi-restraints excluded: chain N residue   59 LYS
Chi-restraints excluded: chain N residue   71 ILE
Chi-restraints excluded: chain N residue  121 ARG
Chi-restraints excluded: chain O residue   24 GLU
Chi-restraints excluded: chain O residue   40 ILE
Chi-restraints excluded: chain O residue   44 THR
Chi-restraints excluded: chain P residue   45 THR
Chi-restraints excluded: chain P residue   58 THR
Chi-restraints excluded: chain P residue   71 ASP
Chi-restraints excluded: chain P residue   73 VAL
Chi-restraints excluded: chain P residue   78 ILE
Chi-restraints excluded: chain P residue   85 VAL
Chi-restraints excluded: chain P residue   96 ILE
Chi-restraints excluded: chain P residue  113 THR
Chi-restraints excluded: chain Q residue   51 VAL
Chi-restraints excluded: chain Q residue   57 THR
Chi-restraints excluded: chain Q residue   62 VAL
Chi-restraints excluded: chain Q residue   79 ILE
Chi-restraints excluded: chain Q residue   80 LEU
Chi-restraints excluded: chain Q residue   88 ASP
Chi-restraints excluded: chain R residue   57 ASP
Chi-restraints excluded: chain R residue   73 SER
Chi-restraints excluded: chain R residue  101 THR
Chi-restraints excluded: chain S residue   57 SER
Chi-restraints excluded: chain T residue    3 SER
Chi-restraints excluded: chain T residue    9 LYS
Chi-restraints excluded: chain T residue   21 THR
Chi-restraints excluded: chain T residue   24 THR
Chi-restraints excluded: chain T residue   70 LYS
Chi-restraints excluded: chain U residue    2 VAL
Chi-restraints excluded: chain U residue    4 ILE
Chi-restraints excluded: chain U residue   23 ASP
Chi-restraints excluded: chain U residue   68 SER
Chi-restraints excluded: chain V residue   15 LYS
Chi-restraints excluded: chain V residue   21 VAL
Chi-restraints excluded: chain V residue   22 VAL
Chi-restraints excluded: chain V residue   56 ASP
Chi-restraints excluded: chain V residue   63 CYS
Chi-restraints excluded: chain V residue   64 ARG
Chi-restraints excluded: chain V residue   69 THR
Chi-restraints excluded: chain V residue   74 LEU
Chi-restraints excluded: chain V residue   82 VAL
Chi-restraints excluded: chain W residue   25 ILE
Chi-restraints excluded: chain W residue   33 THR
Chi-restraints excluded: chain W residue   35 SER
Chi-restraints excluded: chain W residue   50 TYR
Chi-restraints excluded: chain X residue    3 SER
Chi-restraints excluded: chain X residue   22 VAL
Chi-restraints excluded: chain X residue   59 VAL
Chi-restraints excluded: chain Y residue    5 SER
Chi-restraints excluded: chain Y residue   20 ASN
Chi-restraints excluded: chain Z residue   18 PHE
Chi-restraints excluded: chain Z residue   28 LEU
Chi-restraints excluded: chain Z residue   48 LYS
Chi-restraints excluded: chain Z residue   61 ARG
Chi-restraints excluded: chain Z residue   67 THR
Chi-restraints excluded: chain a residue   25 GLU
Chi-restraints excluded: chain a residue  166 ASP
Rotamers are restrained with sigma=3.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 1057
   random chunks:
   chunk 343 optimal weight:    6.9990
   chunk 920 optimal weight:   20.0000
   chunk 201 optimal weight:    3.9990
   chunk 599 optimal weight:   30.0000
   chunk 252 optimal weight:    0.9990
   chunk 1022 optimal weight:   10.0000
   chunk 848 optimal weight:   10.0000
   chunk 473 optimal weight:    0.2980
   chunk 85 optimal weight:    7.9990
   chunk 338 optimal weight:    7.9990
   chunk 536 optimal weight:   20.0000
   overall best weight:    4.0588

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

Flipped N/Q/H residues before XYZ refinement:
c  49 GLN
e  80 GLN
** f  72 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
g  11 ASN
** g  73 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** h  57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** i  42 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
j  80 HIS
k   9 ASN
** k  93 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
m   3 GLN
** n  31 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
p  74 GLN
r  12 HIS
** s  15 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
s  61 ASN
** t  48 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
u  39 ASN
w   8 ASN
** z  48 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
B   4 GLN
D  29 GLN
G  14 HIS
H  31 ASN
I 197 HIS
J  60 GLN
** K  11 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** K  68 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
L 141 HIS
L 147 ASN
M  37 ASN
N  49 GLN
Q   5 GLN
Q  71 HIS
Q  74 GLN
R   7 ASN
R  11 HIS
R  51 GLN
** T  41 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** T  45 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
T  61 GLN
** U  26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** V  30 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** Y   2 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
Y  47 GLN
Y  51 ASN
** Y  60 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
** Y  74 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**

Total number of N/Q/H flips: 30

-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8321
moved from start:          0.3572

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.004   0.075 163217  Z= 0.271
  Angle     :  0.636  13.326 244200  Z= 0.325
  Chirality :  0.037   0.332  31236
  Planarity :  0.005   0.067  13083
  Dihedral  : 23.154 179.209  81778
  Min Nonbonded Distance : 2.061

Molprobity Statistics.
  All-atom Clashscore : 14.32
  Ramachandran Plot:
    Outliers :  0.22 %
    Allowed  :  8.65 %
    Favored  : 91.13 %
  Rotamer:
    Outliers :  8.49 %
    Allowed  : 31.91 %
    Favored  : 59.59 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.02 %

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: -2.23 (0.10), residues: 5919
  helix: -0.60 (0.12), residues: 1841
  sheet: -1.55 (0.16), residues: 1022
  loop : -2.01 (0.11), residues: 3056

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.025   0.002   TRP b 212 
 HIS   0.028   0.001   HIS G  14 
 PHE   0.028   0.002   PHE L  25 
 TYR   0.034   0.002   TYR o  99 
 ARG   0.012   0.001   ARG f  54 

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

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

  11838 Ramachandran restraints generated.
    5919 Oldfield, 0 Emsley, 5919 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  11838 Ramachandran restraints generated.
    5919 Oldfield, 0 Emsley, 5919 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  2031 residues out of total 4910 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 417
    poor density    : 1614
  time to evaluate  : 6.698 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: 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: b   13 ARG cc_start: 0.8913 (OUTLIER) cc_final: 0.7775 (ptp-110)
REVERT: b   44 ASN cc_start: 0.8449 (OUTLIER) cc_final: 0.8063 (OUTLIER)
REVERT: b   97 ASP cc_start: 0.8078 (p0) cc_final: 0.7758 (p0)
REVERT: b   99 GLU cc_start: 0.6945 (tt0) cc_final: 0.6626 (pt0)
REVERT: b  144 GLU cc_start: 0.8218 (mt-10) cc_final: 0.8007 (mt-10)
REVERT: b  224 MET cc_start: 0.8406 (mmm) cc_final: 0.8149 (mmt)
REVERT: c   13 ARG cc_start: 0.8804 (OUTLIER) cc_final: 0.7062 (ptt-90)
REVERT: c   28 GLU cc_start: 0.7768 (tp30) cc_final: 0.7180 (tp30)
REVERT: c   39 ASP cc_start: 0.7621 (OUTLIER) cc_final: 0.7084 (p0)
REVERT: c  105 LYS cc_start: 0.8719 (OUTLIER) cc_final: 0.8468 (mmtt)
REVERT: d   24 ASN cc_start: 0.8828 (t0) cc_final: 0.8521 (t0)
REVERT: d   35 TYR cc_start: 0.8644 (t80) cc_final: 0.8395 (t80)
REVERT: d  115 GLN cc_start: 0.9101 (tt0) cc_final: 0.8704 (tm-30)
REVERT: d  132 LYS cc_start: 0.8290 (tttm) cc_final: 0.8027 (ttpp)
REVERT: d  149 ILE cc_start: 0.8817 (OUTLIER) cc_final: 0.8584 (pp)
REVERT: d  162 ARG cc_start: 0.8282 (OUTLIER) cc_final: 0.7922 (ttp-110)
REVERT: d  163 ASN cc_start: 0.8583 (t0) cc_final: 0.8212 (t0)
REVERT: d  168 ASP cc_start: 0.8628 (t0) cc_final: 0.8194 (t0)
REVERT: f    2 ARG cc_start: 0.9009 (mtp180) cc_final: 0.8785 (mtp180)
REVERT: f   21 GLN cc_start: 0.7877 (tp40) cc_final: 0.6850 (tp40)
REVERT: f   31 GLU cc_start: 0.9351 (tm-30) cc_final: 0.9058 (tm-30)
REVERT: f   38 ASP cc_start: 0.8714 (p0) cc_final: 0.8399 (p0)
REVERT: f   94 ARG cc_start: 0.7081 (OUTLIER) cc_final: 0.6707 (ttp80)
REVERT: g    7 ASP cc_start: 0.6683 (m-30) cc_final: 0.6230 (m-30)
REVERT: g   42 LYS cc_start: 0.8748 (tppp) cc_final: 0.8359 (mmtt)
REVERT: h    1 MET cc_start: 0.6336 (tmm) cc_final: 0.5237 (tmt)
REVERT: h   38 MET cc_start: 0.5586 (mmt) cc_final: 0.3459 (mpt)
REVERT: h   60 LEU cc_start: 0.7617 (tp) cc_final: 0.7353 (mp)
REVERT: h   82 ILE cc_start: 0.1009 (OUTLIER) cc_final: -0.0044 (pp)
REVERT: h   86 MET cc_start: 0.2608 (OUTLIER) cc_final: 0.2137 (tpp)
REVERT: j   69 ARG cc_start: 0.8707 (OUTLIER) cc_final: 0.8239 (mtp-110)
REVERT: j  131 ASN cc_start: 0.7971 (m-40) cc_final: 0.7030 (t0)
REVERT: k   29 HIS cc_start: 0.8202 (OUTLIER) cc_final: 0.7780 (t-90)
REVERT: l   19 LEU cc_start: 0.9032 (mp) cc_final: 0.8786 (tp)
REVERT: l   47 ARG cc_start: 0.8665 (OUTLIER) cc_final: 0.7251 (ptt90)
REVERT: l   77 ILE cc_start: 0.9128 (pt) cc_final: 0.8745 (pp)
REVERT: l   78 ARG cc_start: 0.8229 (OUTLIER) cc_final: 0.7533 (mtt180)
REVERT: l  136 GLU cc_start: 0.7840 (OUTLIER) cc_final: 0.7617 (mp0)
REVERT: l  143 GLU cc_start: 0.6366 (pp20) cc_final: 0.6081 (pp20)
REVERT: m   47 GLU cc_start: 0.8109 (tp30) cc_final: 0.7813 (tp30)
REVERT: m  103 TYR cc_start: 0.8536 (m-80) cc_final: 0.8277 (m-80)
REVERT: n   43 GLU cc_start: 0.8374 (tp30) cc_final: 0.7857 (mp0)
REVERT: n   44 LEU cc_start: 0.9182 (tp) cc_final: 0.8842 (tm)
REVERT: n   74 GLU cc_start: 0.7876 (tt0) cc_final: 0.7612 (tt0)
REVERT: n   94 TYR cc_start: 0.9329 (m-80) cc_final: 0.9051 (m-80)
REVERT: o    4 LYS cc_start: 0.8721 (OUTLIER) cc_final: 0.8293 (tptm)
REVERT: o    7 ARG cc_start: 0.8590 (OUTLIER) cc_final: 0.8071 (ttm170)
REVERT: o   15 ARG cc_start: 0.7286 (OUTLIER) cc_final: 0.6995 (mmm160)
REVERT: o   19 GLN cc_start: 0.7476 (pt0) cc_final: 0.7225 (pt0)
REVERT: o   28 VAL cc_start: 0.8888 (p) cc_final: 0.8571 (m)
REVERT: o   76 LYS cc_start: 0.9030 (tttt) cc_final: 0.8759 (tmmm)
REVERT: o   94 ARG cc_start: 0.8679 (OUTLIER) cc_final: 0.8194 (mtp-110)
REVERT: o  104 GLN cc_start: 0.8957 (tt0) cc_final: 0.8655 (tt0)
REVERT: p    8 GLU cc_start: 0.7595 (mt-10) cc_final: 0.7222 (mt-10)
REVERT: p   23 ASP cc_start: 0.8144 (m-30) cc_final: 0.7726 (m-30)
REVERT: p  110 LYS cc_start: 0.7876 (ttpt) cc_final: 0.7586 (ttpp)
REVERT: q    7 VAL cc_start: 0.8530 (OUTLIER) cc_final: 0.8260 (t)
REVERT: q   96 ASP cc_start: 0.7919 (t70) cc_final: 0.7449 (t70)
REVERT: r   60 LYS cc_start: 0.8864 (mtmm) cc_final: 0.8485 (ptpt)
REVERT: r   78 ARG cc_start: 0.8579 (OUTLIER) cc_final: 0.8154 (mmt90)
REVERT: s    8 ARG cc_start: 0.7992 (mtp-110) cc_final: 0.7668 (mtm180)
REVERT: s   15 GLN cc_start: 0.8673 (tt0) cc_final: 0.8293 (pt0)
REVERT: s   31 GLN cc_start: 0.8875 (tm-30) cc_final: 0.8334 (tp-100)
REVERT: s   69 LEU cc_start: 0.8420 (tp) cc_final: 0.8121 (mt)
REVERT: s   92 ARG cc_start: 0.7661 (OUTLIER) cc_final: 0.6777 (ptm-80)
REVERT: s   95 ARG cc_start: 0.8349 (OUTLIER) cc_final: 0.7514 (ptp-110)
REVERT: t    6 ARG cc_start: 0.7938 (tpt-90) cc_final: 0.7644 (tpt-90)
REVERT: t   12 ARG cc_start: 0.8746 (mmm160) cc_final: 0.8515 (mmm160)
REVERT: t   43 ILE cc_start: 0.9051 (OUTLIER) cc_final: 0.8831 (mp)
REVERT: t   44 LYS cc_start: 0.8918 (OUTLIER) cc_final: 0.8592 (ttmt)
REVERT: t   69 ARG cc_start: 0.8342 (ttp-110) cc_final: 0.7675 (mtp85)
REVERT: u    9 GLU cc_start: 0.8897 (tp30) cc_final: 0.8628 (tp30)
REVERT: u   36 GLU cc_start: 0.8119 (pm20) cc_final: 0.7676 (pm20)
REVERT: u   59 GLU cc_start: 0.8142 (tp30) cc_final: 0.7369 (tm-30)
REVERT: u   93 ARG cc_start: 0.8275 (OUTLIER) cc_final: 0.7325 (ptm-80)
REVERT: v   85 LYS cc_start: 0.8522 (OUTLIER) cc_final: 0.8209 (mtmt)
REVERT: w   25 GLU cc_start: 0.7420 (tt0) cc_final: 0.6953 (tt0)
REVERT: w   64 LYS cc_start: 0.8225 (OUTLIER) cc_final: 0.7521 (tptp)
REVERT: x    5 GLN cc_start: 0.8312 (mm-40) cc_final: 0.7601 (mp10)
REVERT: x   67 LEU cc_start: 0.8709 (mt) cc_final: 0.8417 (tt)
REVERT: y    5 GLU cc_start: 0.8682 (mt-10) cc_final: 0.8022 (mp0)
REVERT: y   17 GLU cc_start: 0.9295 (tm-30) cc_final: 0.8913 (tm-30)
REVERT: y   27 ASN cc_start: 0.9247 (m110) cc_final: 0.8718 (m110)
REVERT: y   39 GLN cc_start: 0.7803 (mt0) cc_final: 0.7042 (mt0)
REVERT: y   44 LYS cc_start: 0.8982 (tttp) cc_final: 0.8360 (ttpt)
REVERT: y   48 ARG cc_start: 0.8099 (mmt90) cc_final: 0.7314 (mmt180)
REVERT: y   52 ARG cc_start: 0.8658 (ttm110) cc_final: 0.7851 (ttp-110)
REVERT: B   14 MET cc_start: 0.8402 (mtm) cc_final: 0.8103 (mtm)
REVERT: D    2 LYS cc_start: 0.8910 (ttpt) cc_final: 0.8372 (ptmt)
REVERT: D    4 THR cc_start: 0.8674 (p) cc_final: 0.8416 (p)
REVERT: D   29 GLN cc_start: 0.8482 (mm110) cc_final: 0.8280 (mm-40)
REVERT: E   51 LYS cc_start: 0.8181 (OUTLIER) cc_final: 0.7950 (pttt)
REVERT: E   63 TYR cc_start: 0.8172 (m-80) cc_final: 0.7771 (m-80)
REVERT: F   11 CYS cc_start: 0.8194 (OUTLIER) cc_final: 0.7903 (p)
REVERT: G    6 ARG cc_start: 0.8995 (ptm-80) cc_final: 0.8754 (ptp-170)
REVERT: G    8 MET cc_start: 0.9229 (ptp) cc_final: 0.8673 (ptt)
REVERT: G   18 GLN cc_start: 0.8475 (mt0) cc_final: 0.8236 (tt0)
REVERT: G   26 MET cc_start: 0.8115 (mtm) cc_final: 0.7881 (ptp)
REVERT: G   39 ILE cc_start: 0.8384 (mm) cc_final: 0.8127 (tp)
REVERT: G   48 MET cc_start: 0.7196 (mtp) cc_final: 0.6918 (mtp)
REVERT: G   55 GLU cc_start: 0.8584 (tp30) cc_final: 0.8250 (tp30)
REVERT: G   99 MET cc_start: 0.8234 (OUTLIER) cc_final: 0.7838 (mpp)
REVERT: G  107 ARG cc_start: 0.8314 (ttm170) cc_final: 0.8009 (ttp-110)
REVERT: G  144 GLU cc_start: 0.7507 (OUTLIER) cc_final: 0.7070 (tt0)
REVERT: G  145 ASN cc_start: 0.8835 (m-40) cc_final: 0.8249 (OUTLIER)
REVERT: G  167 HIS cc_start: 0.8907 (t-90) cc_final: 0.8075 (t-90)
REVERT: H   71 ARG cc_start: 0.7900 (OUTLIER) cc_final: 0.7580 (mpp80)
REVERT: H   84 GLU cc_start: 0.8557 (tp30) cc_final: 0.7878 (tp30)
REVERT: H   88 LYS cc_start: 0.8945 (pttm) cc_final: 0.8637 (pttm)
REVERT: H  139 ASN cc_start: 0.8801 (m110) cc_final: 0.8206 (t0)
REVERT: H  151 GLU cc_start: 0.7651 (tm-30) cc_final: 0.7190 (tm-30)
REVERT: H  156 LEU cc_start: 0.8845 (OUTLIER) cc_final: 0.8485 (mm)
REVERT: H  168 ARG cc_start: 0.8330 (ptp-170) cc_final: 0.8020 (ptp-170)
REVERT: H  169 GLU cc_start: 0.8227 (tm-30) cc_final: 0.7448 (tm-30)
REVERT: I   14 GLU cc_start: 0.7968 (OUTLIER) cc_final: 0.7306 (mp0)
REVERT: I   29 THR cc_start: 0.8937 (OUTLIER) cc_final: 0.8673 (p)
REVERT: I  120 LYS cc_start: 0.8110 (mttt) cc_final: 0.7561 (mmmt)
REVERT: I  123 MET cc_start: 0.7978 (ptp) cc_final: 0.7529 (ppp)
REVERT: J   11 GLN cc_start: 0.7739 (tt0) cc_final: 0.7384 (tt0)
REVERT: J  104 ILE cc_start: 0.8475 (mp) cc_final: 0.8229 (mp)
REVERT: J  121 ASN cc_start: 0.8087 (OUTLIER) cc_final: 0.7433 (p0)
REVERT: J  146 MET cc_start: 0.7751 (ptm) cc_final: 0.7349 (ppp)
REVERT: K   33 GLU cc_start: 0.8784 (pt0) cc_final: 0.8367 (pp20)
REVERT: K   56 LYS cc_start: 0.8061 (mtmt) cc_final: 0.7640 (tttt)
REVERT: K   62 MET cc_start: 0.8290 (OUTLIER) cc_final: 0.8071 (mtp)
REVERT: K   65 GLU cc_start: 0.7757 (tt0) cc_final: 0.6775 (tm-30)
REVERT: K   88 MET cc_start: 0.8100 (tmt) cc_final: 0.7729 (tmt)
REVERT: K   90 MET cc_start: 0.6950 (mtp) cc_final: 0.6477 (mtm)
REVERT: L  123 LEU cc_start: 0.8906 (OUTLIER) cc_final: 0.8682 (mm)
REVERT: L  142 ARG cc_start: 0.8963 (mmt90) cc_final: 0.8603 (mmm-85)
REVERT: L  143 MET cc_start: 0.7926 (mmm) cc_final: 0.7563 (tpt)
REVERT: M   46 GLU cc_start: 0.8026 (pp20) cc_final: 0.7398 (pp20)
REVERT: M  107 LYS cc_start: 0.8677 (mmmm) cc_final: 0.7969 (tmtp)
REVERT: M  117 GLN cc_start: 0.7718 (pp30) cc_final: 0.7143 (pp30)
REVERT: N   45 MET cc_start: 0.7249 (OUTLIER) cc_final: 0.6937 (tmt)
REVERT: N   52 GLU cc_start: 0.8343 (mm-30) cc_final: 0.7885 (mm-30)
REVERT: N   71 ILE cc_start: 0.9132 (OUTLIER) cc_final: 0.8613 (mm)
REVERT: N  119 LYS cc_start: 0.8304 (ptmm) cc_final: 0.7574 (ptmm)
REVERT: O    5 ARG cc_start: 0.7834 (tpp-160) cc_final: 0.7190 (tpm170)
REVERT: O   24 GLU cc_start: 0.8315 (OUTLIER) cc_final: 0.8101 (pm20)
REVERT: O   59 LYS cc_start: 0.8368 (OUTLIER) cc_final: 0.7674 (tppp)
REVERT: P   33 ILE cc_start: 0.8105 (mt) cc_final: 0.7788 (mp)
REVERT: Q   79 ILE cc_start: 0.8747 (pt) cc_final: 0.8493 (pp)
REVERT: R    3 ILE cc_start: 0.8885 (pp) cc_final: 0.8668 (pt)
REVERT: R   62 PHE cc_start: 0.6573 (t80) cc_final: 0.6000 (t80)
REVERT: R   74 MET cc_start: 0.7972 (ppp) cc_final: 0.7610 (ppp)
REVERT: R   97 ARG cc_start: 0.7606 (mmm-85) cc_final: 0.6599 (mmt90)
REVERT: R  102 LYS cc_start: 0.8645 (tttt) cc_final: 0.8257 (ttmm)
REVERT: S   11 LYS cc_start: 0.9195 (tmmm) cc_final: 0.8531 (tmmm)
REVERT: S   15 LEU cc_start: 0.8627 (OUTLIER) cc_final: 0.8389 (mp)
REVERT: S   46 LYS cc_start: 0.8332 (tppt) cc_final: 0.8058 (tppp)
REVERT: S   53 ASP cc_start: 0.8224 (m-30) cc_final: 0.7894 (m-30)
REVERT: S   75 LYS cc_start: 0.8874 (tppt) cc_final: 0.8630 (ttmm)
REVERT: T    9 LYS cc_start: 0.8703 (OUTLIER) cc_final: 0.8235 (mmtt)
REVERT: T   14 PHE cc_start: 0.8721 (m-80) cc_final: 0.8369 (m-80)
REVERT: T   47 LYS cc_start: 0.8608 (mptp) cc_final: 0.8162 (mtmt)
REVERT: U   13 LYS cc_start: 0.8053 (tppt) cc_final: 0.7502 (mptm)
REVERT: U   18 GLN cc_start: 0.7824 (mp10) cc_final: 0.7405 (mp10)
REVERT: U   51 ARG cc_start: 0.8102 (tmm-80) cc_final: 0.7201 (ttm170)
REVERT: V   40 THR cc_start: 0.8516 (t) cc_final: 0.8285 (t)
REVERT: V   41 THR cc_start: 0.7611 (m) cc_final: 0.7323 (m)
REVERT: V   68 LYS cc_start: 0.8857 (tttp) cc_final: 0.8649 (ttpt)
REVERT: V   80 LYS cc_start: 0.8700 (ttmm) cc_final: 0.8184 (tptp)
REVERT: W   20 ILE cc_start: 0.7483 (mm) cc_final: 0.7268 (mp)
REVERT: W   37 LYS cc_start: 0.8467 (mtpt) cc_final: 0.8051 (mtpp)
REVERT: W   60 ARG cc_start: 0.8688 (mtt180) cc_final: 0.8417 (mtp85)
REVERT: Y   53 MET cc_start: 0.7964 (OUTLIER) cc_final: 0.7641 (tmm)
REVERT: Y   54 GLN cc_start: 0.8813 (tt0) cc_final: 0.8114 (tt0)
REVERT: Y   69 ASN cc_start: 0.8654 (m110) cc_final: 0.8289 (m-40)
REVERT: Y   81 GLN cc_start: 0.7977 (mm-40) cc_final: 0.7728 (mm-40)
REVERT: Z   17 ARG cc_start: 0.7256 (ttt90) cc_final: 0.6918 (mtt-85)
REVERT: Z   28 LEU cc_start: 0.8865 (OUTLIER) cc_final: 0.8593 (mm)
REVERT: Z   45 LYS cc_start: 0.8630 (ttpt) cc_final: 0.8227 (tmmt)
REVERT: Z   48 LYS cc_start: 0.7759 (mmtt) cc_final: 0.6418 (tptm)
REVERT: Z   54 ARG cc_start: 0.8519 (mtp180) cc_final: 0.7902 (tmt90)
REVERT: Z   61 ARG cc_start: 0.7480 (OUTLIER) cc_final: 0.6272 (ppt90)
REVERT: a   25 GLU cc_start: 0.7465 (OUTLIER) cc_final: 0.7221 (pm20)
  outliers start: 417
  outliers final: 250
  residues processed: 1831
  average time/residue: 2.0545
  time to fit residues: 5521.3408
Evaluate side-chains
  1845 residues out of total 4910 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 297
    poor density    : 1548
  time to evaluate  : 6.471 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain b residue   13 ARG
Chi-restraints excluded: chain b residue   44 ASN
Chi-restraints excluded: chain b residue   48 ILE
Chi-restraints excluded: chain b residue   50 THR
Chi-restraints excluded: chain b residue   52 HIS
Chi-restraints excluded: chain b residue   76 VAL
Chi-restraints excluded: chain b residue   86 ARG
Chi-restraints excluded: chain b residue  117 SER
Chi-restraints excluded: chain b residue  143 VAL
Chi-restraints excluded: chain b residue  159 THR
Chi-restraints excluded: chain b residue  161 VAL
Chi-restraints excluded: chain b residue  172 THR
Chi-restraints excluded: chain b residue  258 SER
Chi-restraints excluded: chain b residue  263 ASP
Chi-restraints excluded: chain c residue   13 ARG
Chi-restraints excluded: chain c residue   22 ILE
Chi-restraints excluded: chain c residue   37 VAL
Chi-restraints excluded: chain c residue   39 ASP
Chi-restraints excluded: chain c residue   43 ASP
Chi-restraints excluded: chain c residue   60 VAL
Chi-restraints excluded: chain c residue   84 LEU
Chi-restraints excluded: chain c residue  103 ASP
Chi-restraints excluded: chain c residue  105 LYS
Chi-restraints excluded: chain c residue  110 THR
Chi-restraints excluded: chain c residue  122 VAL
Chi-restraints excluded: chain c residue  126 ASN
Chi-restraints excluded: chain c residue  131 ASP
Chi-restraints excluded: chain c residue  155 VAL
Chi-restraints excluded: chain c residue  197 THR
Chi-restraints excluded: chain d residue   15 SER
Chi-restraints excluded: chain d residue   33 VAL
Chi-restraints excluded: chain d residue   53 THR
Chi-restraints excluded: chain d residue   63 LYS
Chi-restraints excluded: chain d residue   75 SER
Chi-restraints excluded: chain d residue   80 SER
Chi-restraints excluded: chain d residue   91 ASP
Chi-restraints excluded: chain d residue   96 VAL
Chi-restraints excluded: chain d residue  149 ILE
Chi-restraints excluded: chain d residue  162 ARG
Chi-restraints excluded: chain d residue  187 VAL
Chi-restraints excluded: chain e residue   35 LEU
Chi-restraints excluded: chain e residue   39 VAL
Chi-restraints excluded: chain e residue   43 ILE
Chi-restraints excluded: chain e residue  107 VAL
Chi-restraints excluded: chain f residue   18 ILE
Chi-restraints excluded: chain f residue   37 ASN
Chi-restraints excluded: chain f residue   41 GLU
Chi-restraints excluded: chain f residue   49 LEU
Chi-restraints excluded: chain f residue   74 MET
Chi-restraints excluded: chain f residue   75 VAL
Chi-restraints excluded: chain f residue   88 LEU
Chi-restraints excluded: chain f residue   91 VAL
Chi-restraints excluded: chain f residue   94 ARG
Chi-restraints excluded: chain f residue  112 VAL
Chi-restraints excluded: chain f residue  113 ASP
Chi-restraints excluded: chain f residue  126 THR
Chi-restraints excluded: chain h residue    3 LEU
Chi-restraints excluded: chain h residue   82 ILE
Chi-restraints excluded: chain h residue   86 MET
Chi-restraints excluded: chain i residue   16 MET
Chi-restraints excluded: chain i residue  117 THR
Chi-restraints excluded: chain i residue  125 THR
Chi-restraints excluded: chain i residue  129 GLU
Chi-restraints excluded: chain j residue    3 THR
Chi-restraints excluded: chain j residue   21 THR
Chi-restraints excluded: chain j residue   28 LEU
Chi-restraints excluded: chain j residue   60 ASP
Chi-restraints excluded: chain j residue   67 ASN
Chi-restraints excluded: chain j residue   69 ARG
Chi-restraints excluded: chain j residue   70 THR
Chi-restraints excluded: chain j residue   78 THR
Chi-restraints excluded: chain j residue   84 ILE
Chi-restraints excluded: chain j residue   88 THR
Chi-restraints excluded: chain j residue  140 LEU
Chi-restraints excluded: chain k residue    8 LEU
Chi-restraints excluded: chain k residue   29 HIS
Chi-restraints excluded: chain k residue   57 VAL
Chi-restraints excluded: chain k residue   58 LEU
Chi-restraints excluded: chain k residue   61 VAL
Chi-restraints excluded: chain k residue   76 VAL
Chi-restraints excluded: chain k residue  104 THR
Chi-restraints excluded: chain l residue    3 LEU
Chi-restraints excluded: chain l residue   47 ARG
Chi-restraints excluded: chain l residue   55 MET
Chi-restraints excluded: chain l residue   68 SER
Chi-restraints excluded: chain l residue   78 ARG
Chi-restraints excluded: chain l residue  101 ILE
Chi-restraints excluded: chain l residue  136 GLU
Chi-restraints excluded: chain m residue    7 THR
Chi-restraints excluded: chain m residue   12 MET
Chi-restraints excluded: chain m residue   89 VAL
Chi-restraints excluded: chain m residue  132 THR
Chi-restraints excluded: chain n residue   15 SER
Chi-restraints excluded: chain n residue   51 LEU
Chi-restraints excluded: chain n residue   76 VAL
Chi-restraints excluded: chain n residue   97 ILE
Chi-restraints excluded: chain n residue  113 ILE
Chi-restraints excluded: chain o residue    4 LYS
Chi-restraints excluded: chain o residue    7 ARG
Chi-restraints excluded: chain o residue    8 ILE
Chi-restraints excluded: chain o residue   15 ARG
Chi-restraints excluded: chain o residue   18 LEU
Chi-restraints excluded: chain o residue   31 THR
Chi-restraints excluded: chain o residue   65 THR
Chi-restraints excluded: chain o residue   69 ASP
Chi-restraints excluded: chain o residue   94 ARG
Chi-restraints excluded: chain o residue   95 SER
Chi-restraints excluded: chain o residue  103 VAL
Chi-restraints excluded: chain p residue   64 SER
Chi-restraints excluded: chain p residue   70 GLU
Chi-restraints excluded: chain p residue   79 VAL
Chi-restraints excluded: chain q residue    7 VAL
Chi-restraints excluded: chain q residue   16 ILE
Chi-restraints excluded: chain q residue   17 LEU
Chi-restraints excluded: chain q residue   33 VAL
Chi-restraints excluded: chain q residue   79 ILE
Chi-restraints excluded: chain q residue   86 SER
Chi-restraints excluded: chain q residue   97 ILE
Chi-restraints excluded: chain r residue   38 VAL
Chi-restraints excluded: chain r residue   47 VAL
Chi-restraints excluded: chain r residue   78 ARG
Chi-restraints excluded: chain r residue   94 THR
Chi-restraints excluded: chain s residue   12 SER
Chi-restraints excluded: chain s residue   40 ASN
Chi-restraints excluded: chain s residue   92 ARG
Chi-restraints excluded: chain s residue   95 ARG
Chi-restraints excluded: chain s residue   96 ILE
Chi-restraints excluded: chain s residue   99 ARG
Chi-restraints excluded: chain s residue  107 VAL
Chi-restraints excluded: chain t residue   17 SER
Chi-restraints excluded: chain t residue   31 VAL
Chi-restraints excluded: chain t residue   43 ILE
Chi-restraints excluded: chain t residue   44 LYS
Chi-restraints excluded: chain t residue   85 VAL
Chi-restraints excluded: chain u residue   27 VAL
Chi-restraints excluded: chain u residue   93 ARG
Chi-restraints excluded: chain v residue    8 VAL
Chi-restraints excluded: chain v residue   51 GLN
Chi-restraints excluded: chain v residue   63 ILE
Chi-restraints excluded: chain v residue   64 VAL
Chi-restraints excluded: chain v residue   65 VAL
Chi-restraints excluded: chain v residue   85 LYS
Chi-restraints excluded: chain w residue   12 SER
Chi-restraints excluded: chain w residue   17 LEU
Chi-restraints excluded: chain w residue   60 ASP
Chi-restraints excluded: chain w residue   64 LYS
Chi-restraints excluded: chain x residue    7 THR
Chi-restraints excluded: chain x residue   12 VAL
Chi-restraints excluded: chain x residue   34 SER
Chi-restraints excluded: chain x residue   39 VAL
Chi-restraints excluded: chain x residue   46 VAL
Chi-restraints excluded: chain x residue   66 VAL
Chi-restraints excluded: chain y residue   21 LEU
Chi-restraints excluded: chain y residue   46 VAL
Chi-restraints excluded: chain z residue   20 LYS
Chi-restraints excluded: chain z residue   23 LEU
Chi-restraints excluded: chain z residue   30 ARG
Chi-restraints excluded: chain B residue   10 SER
Chi-restraints excluded: chain B residue   17 SER
Chi-restraints excluded: chain B residue   24 VAL
Chi-restraints excluded: chain B residue   33 SER
Chi-restraints excluded: chain B residue   42 ILE
Chi-restraints excluded: chain B residue   43 THR
Chi-restraints excluded: chain B residue   45 ASP
Chi-restraints excluded: chain C residue   11 VAL
Chi-restraints excluded: chain C residue   16 THR
Chi-restraints excluded: chain C residue   46 VAL
Chi-restraints excluded: chain D residue    8 SER
Chi-restraints excluded: chain D residue    9 VAL
Chi-restraints excluded: chain D residue   41 ARG
Chi-restraints excluded: chain D residue   42 LEU
Chi-restraints excluded: chain E residue    5 THR
Chi-restraints excluded: chain E residue   16 THR
Chi-restraints excluded: chain E residue   32 LEU
Chi-restraints excluded: chain E residue   48 MET
Chi-restraints excluded: chain E residue   51 LYS
Chi-restraints excluded: chain E residue   58 ILE
Chi-restraints excluded: chain F residue   11 CYS
Chi-restraints excluded: chain F residue   22 VAL
Chi-restraints excluded: chain F residue   26 ILE
Chi-restraints excluded: chain G residue   42 LEU
Chi-restraints excluded: chain G residue   79 VAL
Chi-restraints excluded: chain G residue   81 ASP
Chi-restraints excluded: chain G residue   96 LEU
Chi-restraints excluded: chain G residue   99 MET
Chi-restraints excluded: chain G residue  110 ILE
Chi-restraints excluded: chain G residue  126 ASP
Chi-restraints excluded: chain G residue  144 GLU
Chi-restraints excluded: chain G residue  186 VAL
Chi-restraints excluded: chain G residue  188 THR
Chi-restraints excluded: chain H residue   71 ARG
Chi-restraints excluded: chain H residue   96 VAL
Chi-restraints excluded: chain H residue  104 GLU
Chi-restraints excluded: chain H residue  105 VAL
Chi-restraints excluded: chain H residue  123 LEU
Chi-restraints excluded: chain H residue  152 VAL
Chi-restraints excluded: chain H residue  156 LEU
Chi-restraints excluded: chain H residue  185 THR
Chi-restraints excluded: chain H residue  189 HIS
Chi-restraints excluded: chain I residue   14 GLU
Chi-restraints excluded: chain I residue   28 ASP
Chi-restraints excluded: chain I residue   29 THR
Chi-restraints excluded: chain I residue   47 LEU
Chi-restraints excluded: chain I residue   54 LEU
Chi-restraints excluded: chain I residue   63 ILE
Chi-restraints excluded: chain I residue   97 LEU
Chi-restraints excluded: chain I residue  124 VAL
Chi-restraints excluded: chain I residue  141 VAL
Chi-restraints excluded: chain I residue  142 VAL
Chi-restraints excluded: chain I residue  180 THR
Chi-restraints excluded: chain I residue  186 GLU
Chi-restraints excluded: chain J residue   25 LYS
Chi-restraints excluded: chain J residue   31 SER
Chi-restraints excluded: chain J residue   35 LEU
Chi-restraints excluded: chain J residue   55 VAL
Chi-restraints excluded: chain J residue   68 ARG
Chi-restraints excluded: chain J residue   96 GLN
Chi-restraints excluded: chain J residue  119 VAL
Chi-restraints excluded: chain J residue  121 ASN
Chi-restraints excluded: chain J residue  122 VAL
Chi-restraints excluded: chain J residue  152 VAL
Chi-restraints excluded: chain K residue    6 ILE
Chi-restraints excluded: chain K residue   18 VAL
Chi-restraints excluded: chain K residue   52 ASN
Chi-restraints excluded: chain K residue   62 MET
Chi-restraints excluded: chain K residue   94 HIS
Chi-restraints excluded: chain L residue   14 ASP
Chi-restraints excluded: chain L residue   31 VAL
Chi-restraints excluded: chain L residue  123 LEU
Chi-restraints excluded: chain M residue    1 SER
Chi-restraints excluded: chain M residue   29 SER
Chi-restraints excluded: chain M residue   58 LEU
Chi-restraints excluded: chain M residue   71 VAL
Chi-restraints excluded: chain M residue   91 LEU
Chi-restraints excluded: chain M residue  105 THR
Chi-restraints excluded: chain M residue  113 ARG
Chi-restraints excluded: chain M residue  128 VAL
Chi-restraints excluded: chain N residue   28 VAL
Chi-restraints excluded: chain N residue   36 GLN
Chi-restraints excluded: chain N residue   45 MET
Chi-restraints excluded: chain N residue   71 ILE
Chi-restraints excluded: chain O residue   24 GLU
Chi-restraints excluded: chain O residue   40 ILE
Chi-restraints excluded: chain O residue   42 LEU
Chi-restraints excluded: chain O residue   44 THR
Chi-restraints excluded: chain O residue   59 LYS
Chi-restraints excluded: chain P residue   41 LEU
Chi-restraints excluded: chain P residue   58 THR
Chi-restraints excluded: chain P residue   73 VAL
Chi-restraints excluded: chain P residue   78 ILE
Chi-restraints excluded: chain P residue   85 VAL
Chi-restraints excluded: chain P residue  113 THR
Chi-restraints excluded: chain Q residue   34 THR
Chi-restraints excluded: chain Q residue   40 THR
Chi-restraints excluded: chain Q residue   51 VAL
Chi-restraints excluded: chain Q residue   57 THR
Chi-restraints excluded: chain Q residue   58 ASN
Chi-restraints excluded: chain Q residue   88 ASP
Chi-restraints excluded: chain R residue  101 THR
Chi-restraints excluded: chain S residue   15 LEU
Chi-restraints excluded: chain S residue   57 SER
Chi-restraints excluded: chain T residue    3 SER
Chi-restraints excluded: chain T residue    9 LYS
Chi-restraints excluded: chain T residue   12 SER
Chi-restraints excluded: chain T residue   21 THR
Chi-restraints excluded: chain T residue   24 THR
Chi-restraints excluded: chain T residue   70 LYS
Chi-restraints excluded: chain U residue   23 ASP
Chi-restraints excluded: chain U residue   68 SER
Chi-restraints excluded: chain V residue   11 VAL
Chi-restraints excluded: chain V residue   21 VAL
Chi-restraints excluded: chain V residue   22 VAL
Chi-restraints excluded: chain V residue   32 ILE
Chi-restraints excluded: chain V residue   56 ASP
Chi-restraints excluded: chain V residue   63 CYS
Chi-restraints excluded: chain V residue   64 ARG
Chi-restraints excluded: chain V residue   69 THR
Chi-restraints excluded: chain V residue   74 LEU
Chi-restraints excluded: chain W residue   25 ILE
Chi-restraints excluded: chain W residue   35 SER
Chi-restraints excluded: chain X residue    3 SER
Chi-restraints excluded: chain X residue   15 LEU
Chi-restraints excluded: chain X residue   22 VAL
Chi-restraints excluded: chain X residue   57 VAL
Chi-restraints excluded: chain X residue   59 VAL
Chi-restraints excluded: chain X residue   66 VAL
Chi-restraints excluded: chain Y residue    5 SER
Chi-restraints excluded: chain Y residue   20 ASN
Chi-restraints excluded: chain Y residue   53 MET
Chi-restraints excluded: chain Y residue   56 ILE
Chi-restraints excluded: chain Z residue   18 PHE
Chi-restraints excluded: chain Z residue   28 LEU
Chi-restraints excluded: chain Z residue   61 ARG
Chi-restraints excluded: chain Z residue   67 THR
Chi-restraints excluded: chain a residue   25 GLU
Chi-restraints excluded: chain a residue   30 LEU
Chi-restraints excluded: chain a residue  166 ASP
Rotamers are restrained with sigma=2.50
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 1057
   random chunks:
   chunk 986 optimal weight:   10.0000
   chunk 115 optimal weight:   30.0000
   chunk 582 optimal weight:   10.0000
   chunk 746 optimal weight:   10.0000
   chunk 578 optimal weight:    9.9990
   chunk 860 optimal weight:   10.0000
   chunk 571 optimal weight:   40.0000
   chunk 1018 optimal weight:   10.0000
   chunk 637 optimal weight:   10.0000
   chunk 621 optimal weight:   20.0000
   chunk 470 optimal weight:    5.9990
   overall best weight:    9.1996

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

Flipped N/Q/H residues before XYZ refinement:
c  36 GLN
c  49 GLN
** f  72 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** f 115 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
f 138 GLN
g  11 ASN
** g  73 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** h  57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** i  42 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
j  80 HIS
k   9 ASN
k  90 ASN
** k  93 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
m   3 GLN
** n  31 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
p  11 GLN
p  14 GLN
p  74 GLN
r  12 HIS
** r  82 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
s  61 ASN
** t  48 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
u  39 ASN
w   8 ASN
y  20 ASN
G  14 HIS
** G  38 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
H  68 HIS
I 197 HIS
J  60 GLN
** K  11 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** K  68 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
** L  67 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
L 141 HIS
L 147 ASN
M  37 ASN
N  49 GLN
Q  71 HIS
Q  74 GLN
R  11 HIS
R  51 GLN
S  65 GLN
** T  41 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
T  61 GLN
** U  26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** V  30 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** Y   2 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
Y  12 GLN
** Y  74 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**

Total number of N/Q/H flips: 31

-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8384
moved from start:          0.3815

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.009   0.103 163217  Z= 0.551
  Angle     :  0.816  12.737 244200  Z= 0.408
  Chirality :  0.046   0.368  31236
  Planarity :  0.006   0.074  13083
  Dihedral  : 23.295 179.564  81778
  Min Nonbonded Distance : 1.970

Molprobity Statistics.
  All-atom Clashscore : 17.19
  Ramachandran Plot:
    Outliers :  0.20 %
    Allowed  : 10.69 %
    Favored  : 89.10 %
  Rotamer:
    Outliers :  9.35 %
    Allowed  : 32.36 %
    Favored  : 58.29 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.02 %

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: -2.44 (0.10), residues: 5919
  helix: -0.80 (0.12), residues: 1838
  sheet: -1.71 (0.16), residues: 1028
  loop : -2.11 (0.11), residues: 3053

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.024   0.002   TRP b 212 
 HIS   0.012   0.002   HIS I 197 
 PHE   0.036   0.003   PHE k 112 
 TYR   0.031   0.003   TYR T  77 
 ARG   0.019   0.001   ARG t  73 

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

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

  11838 Ramachandran restraints generated.
    5919 Oldfield, 0 Emsley, 5919 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  11838 Ramachandran restraints generated.
    5919 Oldfield, 0 Emsley, 5919 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  2058 residues out of total 4910 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 459
    poor density    : 1599
  time to evaluate  : 6.609 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
REVERT: b   13 ARG cc_start: 0.9055 (OUTLIER) cc_final: 0.8267 (ptp-110)
REVERT: b   97 ASP cc_start: 0.8195 (p0) cc_final: 0.7989 (p0)
REVERT: b  144 GLU cc_start: 0.8333 (mt-10) cc_final: 0.8062 (mt-10)
REVERT: b  224 MET cc_start: 0.8601 (mmm) cc_final: 0.8279 (mmt)
REVERT: c    1 MET cc_start: 0.5782 (tpt) cc_final: 0.4501 (tpt)
REVERT: c   13 ARG cc_start: 0.8839 (OUTLIER) cc_final: 0.6997 (ptt-90)
REVERT: c   39 ASP cc_start: 0.7642 (OUTLIER) cc_final: 0.7211 (p0)
REVERT: d   24 ASN cc_start: 0.8897 (t0) cc_final: 0.8520 (t0)
REVERT: d   35 TYR cc_start: 0.8780 (t80) cc_final: 0.8525 (t80)
REVERT: d  111 GLU cc_start: 0.8470 (tp30) cc_final: 0.8220 (tm-30)
REVERT: d  115 GLN cc_start: 0.9070 (tt0) cc_final: 0.8582 (tm-30)
REVERT: d  132 LYS cc_start: 0.8347 (tttm) cc_final: 0.8035 (ttpp)
REVERT: d  149 ILE cc_start: 0.8882 (OUTLIER) cc_final: 0.8611 (pp)
REVERT: d  163 ASN cc_start: 0.8674 (t0) cc_final: 0.8333 (t0)
REVERT: d  168 ASP cc_start: 0.8641 (t0) cc_final: 0.8234 (t0)
REVERT: d  198 GLU cc_start: 0.8292 (mp0) cc_final: 0.7987 (mp0)
REVERT: f   21 GLN cc_start: 0.7999 (tp40) cc_final: 0.6890 (tp40)
REVERT: f   31 GLU cc_start: 0.9338 (tm-30) cc_final: 0.8977 (tm-30)
REVERT: f   38 ASP cc_start: 0.8599 (p0) cc_final: 0.8304 (p0)
REVERT: f   55 ASP cc_start: 0.8773 (OUTLIER) cc_final: 0.8438 (m-30)
REVERT: f  152 ARG cc_start: 0.7802 (mmm-85) cc_final: 0.7479 (mmp80)
REVERT: f  162 ARG cc_start: 0.7551 (OUTLIER) cc_final: 0.7287 (ptm160)
REVERT: g    7 ASP cc_start: 0.6912 (m-30) cc_final: 0.6469 (m-30)
REVERT: g   22 LYS cc_start: 0.8312 (mttp) cc_final: 0.7872 (mtmt)
REVERT: h    1 MET cc_start: 0.6357 (tmm) cc_final: 0.5449 (tmt)
REVERT: h   38 MET cc_start: 0.5649 (mmt) cc_final: 0.3422 (mpt)
REVERT: h   60 LEU cc_start: 0.7388 (tp) cc_final: 0.6992 (pt)
REVERT: h   86 MET cc_start: 0.2669 (OUTLIER) cc_final: 0.2157 (tpp)
REVERT: j   69 ARG cc_start: 0.8749 (OUTLIER) cc_final: 0.8276 (mtp-110)
REVERT: j   75 TYR cc_start: 0.8281 (m-80) cc_final: 0.8029 (m-80)
REVERT: k   29 HIS cc_start: 0.8235 (OUTLIER) cc_final: 0.7820 (t-90)
REVERT: k   92 GLU cc_start: 0.8170 (OUTLIER) cc_final: 0.7362 (mm-30)
REVERT: l   47 ARG cc_start: 0.8580 (OUTLIER) cc_final: 0.7416 (ptt90)
REVERT: l   77 ILE cc_start: 0.9178 (pt) cc_final: 0.8795 (pp)
REVERT: l   78 ARG cc_start: 0.8231 (OUTLIER) cc_final: 0.7502 (mtt180)
REVERT: m  103 TYR cc_start: 0.8565 (m-80) cc_final: 0.8279 (m-80)
REVERT: m  110 GLU cc_start: 0.8089 (tp30) cc_final: 0.7871 (tp30)
REVERT: m  115 GLU cc_start: 0.7977 (tt0) cc_final: 0.7493 (pt0)
REVERT: n   13 ASN cc_start: 0.8126 (OUTLIER) cc_final: 0.7923 (p0)
REVERT: n   44 LEU cc_start: 0.9239 (tp) cc_final: 0.8860 (tm)
REVERT: n   74 GLU cc_start: 0.7926 (tt0) cc_final: 0.7587 (tt0)
REVERT: n   94 TYR cc_start: 0.9355 (m-80) cc_final: 0.9016 (m-80)
REVERT: o    4 LYS cc_start: 0.8830 (OUTLIER) cc_final: 0.8434 (tptm)
REVERT: o    7 ARG cc_start: 0.8599 (OUTLIER) cc_final: 0.8040 (ttm170)
REVERT: o   19 GLN cc_start: 0.7574 (pt0) cc_final: 0.7309 (pt0)
REVERT: o   26 LEU cc_start: 0.7800 (tp) cc_final: 0.7440 (tm)
REVERT: o   76 LYS cc_start: 0.9027 (tttt) cc_final: 0.8754 (tmmm)
REVERT: o   94 ARG cc_start: 0.8647 (OUTLIER) cc_final: 0.8084 (mtp-110)
REVERT: o   99 TYR cc_start: 0.8113 (t80) cc_final: 0.7904 (t80)
REVERT: o  104 GLN cc_start: 0.9006 (tt0) cc_final: 0.8635 (tt0)
REVERT: p   23 ASP cc_start: 0.8209 (m-30) cc_final: 0.7796 (m-30)
REVERT: p  110 LYS cc_start: 0.7871 (ttpt) cc_final: 0.7610 (ttpp)
REVERT: q    7 VAL cc_start: 0.8772 (OUTLIER) cc_final: 0.8480 (t)
REVERT: q   96 ASP cc_start: 0.8020 (OUTLIER) cc_final: 0.7538 (t70)
REVERT: r   60 LYS cc_start: 0.8881 (mtmm) cc_final: 0.8438 (ptpt)
REVERT: r   78 ARG cc_start: 0.8662 (OUTLIER) cc_final: 0.8251 (mmt90)
REVERT: s    8 ARG cc_start: 0.8050 (mtp-110) cc_final: 0.7709 (mtm180)
REVERT: s   31 GLN cc_start: 0.8972 (tm-30) cc_final: 0.8664 (tm-30)
REVERT: s   38 TYR cc_start: 0.8851 (m-80) cc_final: 0.8638 (m-80)
REVERT: s   69 LEU cc_start: 0.8334 (tp) cc_final: 0.8111 (mt)
REVERT: s   92 ARG cc_start: 0.7794 (OUTLIER) cc_final: 0.6941 (ptm-80)
REVERT: s   95 ARG cc_start: 0.8431 (OUTLIER) cc_final: 0.7585 (ptp-110)
REVERT: t   44 LYS cc_start: 0.8966 (OUTLIER) cc_final: 0.8665 (ttmt)
REVERT: t   66 LYS cc_start: 0.7979 (OUTLIER) cc_final: 0.7759 (mttm)
REVERT: t   69 ARG cc_start: 0.8267 (ttp-110) cc_final: 0.7597 (mtp85)
REVERT: u    9 GLU cc_start: 0.8833 (tp30) cc_final: 0.8556 (tp30)
REVERT: u   36 GLU cc_start: 0.8244 (pm20) cc_final: 0.7651 (pm20)
REVERT: u   93 ARG cc_start: 0.8253 (OUTLIER) cc_final: 0.7377 (ptm-80)
REVERT: w   25 GLU cc_start: 0.7420 (tt0) cc_final: 0.6920 (tt0)
REVERT: w   64 LYS cc_start: 0.8360 (OUTLIER) cc_final: 0.7610 (tptp)
REVERT: x   67 LEU cc_start: 0.8865 (mt) cc_final: 0.8629 (tt)
REVERT: y   12 GLU cc_start: 0.8102 (OUTLIER) cc_final: 0.7735 (pm20)
REVERT: y   17 GLU cc_start: 0.9314 (tm-30) cc_final: 0.8909 (tm-30)
REVERT: y   31 GLN cc_start: 0.8599 (mt0) cc_final: 0.8210 (mt0)
REVERT: y   39 GLN cc_start: 0.7886 (mt0) cc_final: 0.7210 (mt0)
REVERT: y   44 LYS cc_start: 0.9022 (tttp) cc_final: 0.8705 (ttpt)
REVERT: y   52 ARG cc_start: 0.8750 (ttm110) cc_final: 0.8048 (ttp-110)
REVERT: B   14 MET cc_start: 0.8448 (mtm) cc_final: 0.8196 (mtm)
REVERT: C   36 LYS cc_start: 0.7951 (ttmt) cc_final: 0.7119 (ptmm)
REVERT: D    2 LYS cc_start: 0.8985 (ttpt) cc_final: 0.8432 (ptmt)
REVERT: D    4 THR cc_start: 0.8730 (p) cc_final: 0.8479 (p)
REVERT: D   29 GLN cc_start: 0.8576 (mm110) cc_final: 0.8351 (mm-40)
REVERT: E   51 LYS cc_start: 0.8220 (OUTLIER) cc_final: 0.7956 (tttt)
REVERT: E   63 TYR cc_start: 0.8230 (m-80) cc_final: 0.7895 (m-80)
REVERT: F   11 CYS cc_start: 0.8244 (OUTLIER) cc_final: 0.7996 (p)
REVERT: G    8 MET cc_start: 0.9249 (ptp) cc_final: 0.8686 (ptt)
REVERT: G   18 GLN cc_start: 0.8514 (mt0) cc_final: 0.8290 (tt0)
REVERT: G   55 GLU cc_start: 0.8583 (tp30) cc_final: 0.8255 (tp30)
REVERT: G   99 MET cc_start: 0.8321 (OUTLIER) cc_final: 0.7821 (mpp)
REVERT: G  107 ARG cc_start: 0.8378 (ttm170) cc_final: 0.8061 (ttp-110)
REVERT: G  144 GLU cc_start: 0.7528 (OUTLIER) cc_final: 0.7205 (tt0)
REVERT: G  145 ASN cc_start: 0.8922 (m-40) cc_final: 0.8312 (OUTLIER)
REVERT: G  164 ASP cc_start: 0.7112 (OUTLIER) cc_final: 0.6891 (m-30)
REVERT: G  167 HIS cc_start: 0.8950 (t-90) cc_final: 0.8087 (t-90)
REVERT: G  220 VAL cc_start: 0.9035 (t) cc_final: 0.8748 (m)
REVERT: H   71 ARG cc_start: 0.7991 (OUTLIER) cc_final: 0.7018 (tpp80)
REVERT: H   84 GLU cc_start: 0.8456 (tp30) cc_final: 0.7735 (tp30)
REVERT: H   88 LYS cc_start: 0.8925 (pttm) cc_final: 0.8536 (pttm)
REVERT: H  109 GLU cc_start: 0.7912 (pm20) cc_final: 0.7631 (pm20)
REVERT: H  126 ARG cc_start: 0.8510 (OUTLIER) cc_final: 0.8241 (mpp-170)
REVERT: H  139 ASN cc_start: 0.8804 (m110) cc_final: 0.8122 (t0)
REVERT: H  151 GLU cc_start: 0.7610 (tm-30) cc_final: 0.7089 (tm-30)
REVERT: H  156 LEU cc_start: 0.8855 (OUTLIER) cc_final: 0.8497 (mm)
REVERT: H  169 GLU cc_start: 0.8252 (tm-30) cc_final: 0.7615 (tm-30)
REVERT: I   50 TYR cc_start: 0.8080 (t80) cc_final: 0.7829 (t80)
REVERT: I  120 LYS cc_start: 0.8245 (mttt) cc_final: 0.7743 (mtpt)
REVERT: I  123 MET cc_start: 0.7943 (ptp) cc_final: 0.7426 (ppp)
REVERT: J   11 GLN cc_start: 0.7791 (tt0) cc_final: 0.7406 (tt0)
REVERT: J  104 ILE cc_start: 0.8636 (mp) cc_final: 0.8247 (mp)
REVERT: J  121 ASN cc_start: 0.8097 (OUTLIER) cc_final: 0.7605 (p0)
REVERT: J  146 MET cc_start: 0.7713 (ptm) cc_final: 0.7415 (ppp)
REVERT: K   33 GLU cc_start: 0.8867 (pt0) cc_final: 0.8408 (pp20)
REVERT: K   40 GLU cc_start: 0.8315 (tm-30) cc_final: 0.8113 (tm-30)
REVERT: K   56 LYS cc_start: 0.8110 (mtmt) cc_final: 0.7685 (tmtp)
REVERT: K   62 MET cc_start: 0.8493 (OUTLIER) cc_final: 0.8246 (mtp)
REVERT: K   65 GLU cc_start: 0.7897 (tt0) cc_final: 0.7168 (tm-30)
REVERT: K   88 MET cc_start: 0.8068 (tmt) cc_final: 0.7718 (tmt)
REVERT: L  102 TRP cc_start: 0.9147 (m-10) cc_final: 0.8866 (m-10)
REVERT: L  105 GLU cc_start: 0.8592 (pp20) cc_final: 0.8261 (pp20)
REVERT: L  123 LEU cc_start: 0.8934 (OUTLIER) cc_final: 0.8691 (mm)
REVERT: L  142 ARG cc_start: 0.8956 (mmt90) cc_final: 0.8653 (mmm-85)
REVERT: L  143 MET cc_start: 0.7991 (mmm) cc_final: 0.7597 (tpt)
REVERT: M   26 MET cc_start: 0.7949 (ptp) cc_final: 0.6824 (pmm)
REVERT: M   46 GLU cc_start: 0.8165 (OUTLIER) cc_final: 0.7498 (pp20)
REVERT: M   87 ARG cc_start: 0.8163 (OUTLIER) cc_final: 0.7873 (ttp-170)
REVERT: M  117 GLN cc_start: 0.7908 (pp30) cc_final: 0.7322 (pp30)
REVERT: N   29 ILE cc_start: 0.8274 (pt) cc_final: 0.7903 (pp)
REVERT: N   52 GLU cc_start: 0.8377 (mm-30) cc_final: 0.7961 (mm-30)
REVERT: N  119 LYS cc_start: 0.8308 (ptmm) cc_final: 0.7594 (ptmm)
REVERT: O    5 ARG cc_start: 0.7897 (tpp-160) cc_final: 0.7265 (tpm170)
REVERT: O   24 GLU cc_start: 0.8155 (OUTLIER) cc_final: 0.7887 (pm20)
REVERT: P   17 ASP cc_start: 0.8563 (p0) cc_final: 0.8345 (p0)
REVERT: P   33 ILE cc_start: 0.8142 (mt) cc_final: 0.7841 (mp)
REVERT: Q   79 ILE cc_start: 0.8769 (pt) cc_final: 0.8505 (pp)
REVERT: R   62 PHE cc_start: 0.6604 (t80) cc_final: 0.6060 (t80)
REVERT: R   71 GLU cc_start: 0.8109 (tp30) cc_final: 0.7900 (tp30)
REVERT: R   74 MET cc_start: 0.7807 (ppp) cc_final: 0.7549 (ppp)
REVERT: R   97 ARG cc_start: 0.7696 (mmm-85) cc_final: 0.6595 (mmt90)
REVERT: R  102 LYS cc_start: 0.8705 (tttt) cc_final: 0.8362 (ttmm)
REVERT: S   11 LYS cc_start: 0.9229 (tmmm) cc_final: 0.8765 (tmmm)
REVERT: S   27 LYS cc_start: 0.8189 (pttp) cc_final: 0.7988 (ptpp)
REVERT: S   46 LYS cc_start: 0.8393 (tppt) cc_final: 0.8103 (tppp)
REVERT: S   53 ASP cc_start: 0.8381 (m-30) cc_final: 0.8081 (m-30)
REVERT: S   75 LYS cc_start: 0.8986 (tppt) cc_final: 0.8707 (ttmm)
REVERT: S   85 GLU cc_start: 0.8215 (OUTLIER) cc_final: 0.7318 (mp0)
REVERT: T   13 GLU cc_start: 0.8273 (tm-30) cc_final: 0.7699 (pp20)
REVERT: T   46 LYS cc_start: 0.8813 (ttpt) cc_final: 0.8611 (ttpp)
REVERT: U   12 LYS cc_start: 0.7270 (ttpp) cc_final: 0.6985 (tttm)
REVERT: U   13 LYS cc_start: 0.8286 (tppt) cc_final: 0.7682 (mptm)
REVERT: U   18 GLN cc_start: 0.7904 (mp10) cc_final: 0.7446 (mp10)
REVERT: U   51 ARG cc_start: 0.7929 (tmm-80) cc_final: 0.6937 (ttm170)
REVERT: V   17 GLU cc_start: 0.8087 (mp0) cc_final: 0.7816 (mp0)
REVERT: V   40 THR cc_start: 0.8625 (t) cc_final: 0.8425 (t)
REVERT: V   41 THR cc_start: 0.7572 (m) cc_final: 0.7280 (m)
REVERT: V   68 LYS cc_start: 0.8870 (tttp) cc_final: 0.8554 (ttmt)
REVERT: V   80 LYS cc_start: 0.8750 (ttmm) cc_final: 0.8214 (tptp)
REVERT: W   34 GLU cc_start: 0.7586 (OUTLIER) cc_final: 0.7285 (tp30)
REVERT: W   37 LYS cc_start: 0.8649 (mtpt) cc_final: 0.8261 (mtpt)
REVERT: W   60 ARG cc_start: 0.8718 (mtt180) cc_final: 0.8424 (mtp85)
REVERT: X   40 PHE cc_start: 0.8095 (OUTLIER) cc_final: 0.7805 (m-80)
REVERT: Y   47 GLN cc_start: 0.8637 (tp40) cc_final: 0.8381 (tp-100)
REVERT: Y   53 MET cc_start: 0.7862 (OUTLIER) cc_final: 0.7588 (tmm)
REVERT: Y   54 GLN cc_start: 0.8687 (tt0) cc_final: 0.8058 (tt0)
REVERT: Y   60 GLN cc_start: 0.9017 (mm-40) cc_final: 0.8771 (mm110)
REVERT: Y   69 ASN cc_start: 0.8715 (m110) cc_final: 0.8415 (m-40)
REVERT: Y   81 GLN cc_start: 0.8062 (mm-40) cc_final: 0.7796 (mm-40)
REVERT: Z   17 ARG cc_start: 0.7420 (ttt90) cc_final: 0.6950 (ttt-90)
REVERT: Z   28 LEU cc_start: 0.8919 (OUTLIER) cc_final: 0.8615 (mm)
REVERT: Z   48 LYS cc_start: 0.7735 (mmtt) cc_final: 0.6234 (tptm)
REVERT: Z   54 ARG cc_start: 0.8563 (mtp180) cc_final: 0.7938 (tmt90)
REVERT: Z   61 ARG cc_start: 0.7564 (OUTLIER) cc_final: 0.6346 (ppt90)
REVERT: a   33 LEU cc_start: 0.3517 (mt) cc_final: 0.2404 (pp)
REVERT: a  189 LEU cc_start: 0.5163 (pt) cc_final: 0.4962 (pt)
REVERT: a  192 LEU cc_start: 0.6637 (OUTLIER) cc_final: 0.6359 (mm)
  outliers start: 459
  outliers final: 307
  residues processed: 1821
  average time/residue: 2.0823
  time to fit residues: 5563.9278
Evaluate side-chains
  1882 residues out of total 4910 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 353
    poor density    : 1529
  time to evaluate  : 6.493 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain b residue    5 CYS
Chi-restraints excluded: chain b residue   13 ARG
Chi-restraints excluded: chain b residue   48 ILE
Chi-restraints excluded: chain b residue   50 THR
Chi-restraints excluded: chain b residue   52 HIS
Chi-restraints excluded: chain b residue   76 VAL
Chi-restraints excluded: chain b residue   86 ARG
Chi-restraints excluded: chain b residue  117 SER
Chi-restraints excluded: chain b residue  131 MET
Chi-restraints excluded: chain b residue  143 VAL
Chi-restraints excluded: chain b residue  156 SER
Chi-restraints excluded: chain b residue  159 THR
Chi-restraints excluded: chain b residue  161 VAL
Chi-restraints excluded: chain b residue  172 THR
Chi-restraints excluded: chain b residue  222 THR
Chi-restraints excluded: chain b residue  263 ASP
Chi-restraints excluded: chain c residue   13 ARG
Chi-restraints excluded: chain c residue   22 ILE
Chi-restraints excluded: chain c residue   37 VAL
Chi-restraints excluded: chain c residue   39 ASP
Chi-restraints excluded: chain c residue   43 ASP
Chi-restraints excluded: chain c residue   60 VAL
Chi-restraints excluded: chain c residue   84 LEU
Chi-restraints excluded: chain c residue  103 ASP
Chi-restraints excluded: chain c residue  105 LYS
Chi-restraints excluded: chain c residue  106 LYS
Chi-restraints excluded: chain c residue  110 THR
Chi-restraints excluded: chain c residue  122 VAL
Chi-restraints excluded: chain c residue  126 ASN
Chi-restraints excluded: chain c residue  131 ASP
Chi-restraints excluded: chain c residue  155 VAL
Chi-restraints excluded: chain c residue  197 THR
Chi-restraints excluded: chain d residue   15 SER
Chi-restraints excluded: chain d residue   33 VAL
Chi-restraints excluded: chain d residue   53 THR
Chi-restraints excluded: chain d residue   63 LYS
Chi-restraints excluded: chain d residue   75 SER
Chi-restraints excluded: chain d residue   80 SER
Chi-restraints excluded: chain d residue   96 VAL
Chi-restraints excluded: chain d residue  149 ILE
Chi-restraints excluded: chain d residue  187 VAL
Chi-restraints excluded: chain e residue   35 LEU
Chi-restraints excluded: chain e residue   39 VAL
Chi-restraints excluded: chain e residue   43 ILE
Chi-restraints excluded: chain e residue  107 VAL
Chi-restraints excluded: chain f residue   10 VAL
Chi-restraints excluded: chain f residue   16 VAL
Chi-restraints excluded: chain f residue   18 ILE
Chi-restraints excluded: chain f residue   37 ASN
Chi-restraints excluded: chain f residue   41 GLU
Chi-restraints excluded: chain f residue   55 ASP
Chi-restraints excluded: chain f residue   74 MET
Chi-restraints excluded: chain f residue   75 VAL
Chi-restraints excluded: chain f residue   88 LEU
Chi-restraints excluded: chain f residue   91 VAL
Chi-restraints excluded: chain f residue  112 VAL
Chi-restraints excluded: chain f residue  113 ASP
Chi-restraints excluded: chain f residue  126 THR
Chi-restraints excluded: chain f residue  132 LEU
Chi-restraints excluded: chain f residue  162 ARG
Chi-restraints excluded: chain g residue  146 VAL
Chi-restraints excluded: chain h residue    3 LEU
Chi-restraints excluded: chain h residue   82 ILE
Chi-restraints excluded: chain h residue   86 MET
Chi-restraints excluded: chain i residue   16 MET
Chi-restraints excluded: chain i residue  117 THR
Chi-restraints excluded: chain i residue  129 GLU
Chi-restraints excluded: chain j residue    3 THR
Chi-restraints excluded: chain j residue   21 THR
Chi-restraints excluded: chain j residue   23 LYS
Chi-restraints excluded: chain j residue   28 LEU
Chi-restraints excluded: chain j residue   60 ASP
Chi-restraints excluded: chain j residue   65 THR
Chi-restraints excluded: chain j residue   67 ASN
Chi-restraints excluded: chain j residue   69 ARG
Chi-restraints excluded: chain j residue   70 THR
Chi-restraints excluded: chain j residue   78 THR
Chi-restraints excluded: chain j residue   84 ILE
Chi-restraints excluded: chain j residue   88 THR
Chi-restraints excluded: chain j residue  103 ILE
Chi-restraints excluded: chain j residue  140 LEU
Chi-restraints excluded: chain k residue    8 LEU
Chi-restraints excluded: chain k residue   29 HIS
Chi-restraints excluded: chain k residue   57 VAL
Chi-restraints excluded: chain k residue   58 LEU
Chi-restraints excluded: chain k residue   61 VAL
Chi-restraints excluded: chain k residue   76 VAL
Chi-restraints excluded: chain k residue   78 ARG
Chi-restraints excluded: chain k residue   82 ASN
Chi-restraints excluded: chain k residue   88 ASN
Chi-restraints excluded: chain k residue   92 GLU
Chi-restraints excluded: chain k residue  104 THR
Chi-restraints excluded: chain l residue    3 LEU
Chi-restraints excluded: chain l residue   47 ARG
Chi-restraints excluded: chain l residue   55 MET
Chi-restraints excluded: chain l residue   68 SER
Chi-restraints excluded: chain l residue   73 ILE
Chi-restraints excluded: chain l residue   78 ARG
Chi-restraints excluded: chain l residue   82 LEU
Chi-restraints excluded: chain l residue   89 VAL
Chi-restraints excluded: chain l residue  101 ILE
Chi-restraints excluded: chain l residue  127 VAL
Chi-restraints excluded: chain m residue    7 THR
Chi-restraints excluded: chain m residue   12 MET
Chi-restraints excluded: chain m residue   80 VAL
Chi-restraints excluded: chain m residue   89 VAL
Chi-restraints excluded: chain m residue  128 THR
Chi-restraints excluded: chain m residue  132 THR
Chi-restraints excluded: chain n residue    5 LYS
Chi-restraints excluded: chain n residue   13 ASN
Chi-restraints excluded: chain n residue   15 SER
Chi-restraints excluded: chain n residue   18 GLN
Chi-restraints excluded: chain n residue   76 VAL
Chi-restraints excluded: chain n residue   97 ILE
Chi-restraints excluded: chain n residue  113 ILE
Chi-restraints excluded: chain n residue  114 GLU
Chi-restraints excluded: chain o residue    4 LYS
Chi-restraints excluded: chain o residue    7 ARG
Chi-restraints excluded: chain o residue    8 ILE
Chi-restraints excluded: chain o residue   18 LEU
Chi-restraints excluded: chain o residue   31 THR
Chi-restraints excluded: chain o residue   35 ILE
Chi-restraints excluded: chain o residue   43 ASN
Chi-restraints excluded: chain o residue   58 ILE
Chi-restraints excluded: chain o residue   65 THR
Chi-restraints excluded: chain o residue   69 ASP
Chi-restraints excluded: chain o residue   94 ARG
Chi-restraints excluded: chain o residue   95 SER
Chi-restraints excluded: chain o residue  103 VAL
Chi-restraints excluded: chain p residue   25 VAL
Chi-restraints excluded: chain p residue   26 GLU
Chi-restraints excluded: chain p residue   64 SER
Chi-restraints excluded: chain p residue   70 GLU
Chi-restraints excluded: chain p residue   79 VAL
Chi-restraints excluded: chain p residue  103 THR
Chi-restraints excluded: chain q residue    7 VAL
Chi-restraints excluded: chain q residue   16 ILE
Chi-restraints excluded: chain q residue   17 LEU
Chi-restraints excluded: chain q residue   33 VAL
Chi-restraints excluded: chain q residue   79 ILE
Chi-restraints excluded: chain q residue   86 SER
Chi-restraints excluded: chain q residue   89 ILE
Chi-restraints excluded: chain q residue   96 ASP
Chi-restraints excluded: chain r residue    7 SER
Chi-restraints excluded: chain r residue   38 VAL
Chi-restraints excluded: chain r residue   47 VAL
Chi-restraints excluded: chain r residue   63 VAL
Chi-restraints excluded: chain r residue   78 ARG
Chi-restraints excluded: chain r residue   94 THR
Chi-restraints excluded: chain s residue    3 THR
Chi-restraints excluded: chain s residue   12 SER
Chi-restraints excluded: chain s residue   40 ASN
Chi-restraints excluded: chain s residue   92 ARG
Chi-restraints excluded: chain s residue   95 ARG
Chi-restraints excluded: chain s residue   96 ILE
Chi-restraints excluded: chain s residue   99 ARG
Chi-restraints excluded: chain s residue  107 VAL
Chi-restraints excluded: chain t residue   17 SER
Chi-restraints excluded: chain t residue   31 VAL
Chi-restraints excluded: chain t residue   44 LYS
Chi-restraints excluded: chain t residue   55 VAL
Chi-restraints excluded: chain t residue   66 LYS
Chi-restraints excluded: chain t residue   85 VAL
Chi-restraints excluded: chain u residue   20 LYS
Chi-restraints excluded: chain u residue   27 VAL
Chi-restraints excluded: chain u residue   93 ARG
Chi-restraints excluded: chain v residue    8 VAL
Chi-restraints excluded: chain v residue   51 GLN
Chi-restraints excluded: chain v residue   58 SER
Chi-restraints excluded: chain v residue   63 ILE
Chi-restraints excluded: chain v residue   64 VAL
Chi-restraints excluded: chain v residue   65 VAL
Chi-restraints excluded: chain w residue   12 SER
Chi-restraints excluded: chain w residue   17 LEU
Chi-restraints excluded: chain w residue   64 LYS
Chi-restraints excluded: chain x residue    7 THR
Chi-restraints excluded: chain x residue   12 VAL
Chi-restraints excluded: chain x residue   34 SER
Chi-restraints excluded: chain x residue   39 VAL
Chi-restraints excluded: chain x residue   55 MET
Chi-restraints excluded: chain x residue   66 VAL
Chi-restraints excluded: chain y residue   12 GLU
Chi-restraints excluded: chain y residue   21 LEU
Chi-restraints excluded: chain y residue   34 SER
Chi-restraints excluded: chain y residue   46 VAL
Chi-restraints excluded: chain z residue   23 LEU
Chi-restraints excluded: chain z residue   30 ARG
Chi-restraints excluded: chain B residue   17 SER
Chi-restraints excluded: chain B residue   24 VAL
Chi-restraints excluded: chain B residue   33 SER
Chi-restraints excluded: chain B residue   42 ILE
Chi-restraints excluded: chain B residue   43 THR
Chi-restraints excluded: chain B residue   45 ASP
Chi-restraints excluded: chain C residue   11 VAL
Chi-restraints excluded: chain C residue   16 THR
Chi-restraints excluded: chain C residue   46 VAL
Chi-restraints excluded: chain D residue    8 SER
Chi-restraints excluded: chain D residue    9 VAL
Chi-restraints excluded: chain D residue   41 ARG
Chi-restraints excluded: chain D residue   42 LEU
Chi-restraints excluded: chain D residue   43 THR
Chi-restraints excluded: chain E residue    5 THR
Chi-restraints excluded: chain E residue   16 THR
Chi-restraints excluded: chain E residue   32 LEU
Chi-restraints excluded: chain E residue   48 MET
Chi-restraints excluded: chain E residue   51 LYS
Chi-restraints excluded: chain E residue   53 ASP
Chi-restraints excluded: chain E residue   58 ILE
Chi-restraints excluded: chain F residue   11 CYS
Chi-restraints excluded: chain F residue   22 VAL
Chi-restraints excluded: chain F residue   26 ILE
Chi-restraints excluded: chain G residue   14 HIS
Chi-restraints excluded: chain G residue   42 LEU
Chi-restraints excluded: chain G residue   79 VAL
Chi-restraints excluded: chain G residue   81 ASP
Chi-restraints excluded: chain G residue   96 LEU
Chi-restraints excluded: chain G residue   99 MET
Chi-restraints excluded: chain G residue  110 ILE
Chi-restraints excluded: chain G residue  126 ASP
Chi-restraints excluded: chain G residue  129 THR
Chi-restraints excluded: chain G residue  144 GLU
Chi-restraints excluded: chain G residue  164 ASP
Chi-restraints excluded: chain G residue  186 VAL
Chi-restraints excluded: chain G residue  188 THR
Chi-restraints excluded: chain H residue   40 GLN
Chi-restraints excluded: chain H residue   55 VAL
Chi-restraints excluded: chain H residue   57 GLU
Chi-restraints excluded: chain H residue   71 ARG
Chi-restraints excluded: chain H residue   89 VAL
Chi-restraints excluded: chain H residue   96 VAL
Chi-restraints excluded: chain H residue  104 GLU
Chi-restraints excluded: chain H residue  105 VAL
Chi-restraints excluded: chain H residue  123 LEU
Chi-restraints excluded: chain H residue  126 ARG
Chi-restraints excluded: chain H residue  127 VAL
Chi-restraints excluded: chain H residue  152 VAL
Chi-restraints excluded: chain H residue  156 LEU
Chi-restraints excluded: chain H residue  185 THR
Chi-restraints excluded: chain H residue  189 HIS
Chi-restraints excluded: chain H residue  199 VAL
Chi-restraints excluded: chain I residue   28 ASP
Chi-restraints excluded: chain I residue   54 LEU
Chi-restraints excluded: chain I residue   63 ILE
Chi-restraints excluded: chain I residue   67 LEU
Chi-restraints excluded: chain I residue   97 LEU
Chi-restraints excluded: chain I residue  124 VAL
Chi-restraints excluded: chain I residue  142 VAL
Chi-restraints excluded: chain I residue  180 THR
Chi-restraints excluded: chain I residue  200 VAL
Chi-restraints excluded: chain J residue   25 LYS
Chi-restraints excluded: chain J residue   31 SER
Chi-restraints excluded: chain J residue   38 VAL
Chi-restraints excluded: chain J residue   55 VAL
Chi-restraints excluded: chain J residue   68 ARG
Chi-restraints excluded: chain J residue  105 ILE
Chi-restraints excluded: chain J residue  119 VAL
Chi-restraints excluded: chain J residue  121 ASN
Chi-restraints excluded: chain J residue  122 VAL
Chi-restraints excluded: chain J residue  143 LEU
Chi-restraints excluded: chain J residue  152 VAL
Chi-restraints excluded: chain K residue    6 ILE
Chi-restraints excluded: chain K residue   18 VAL
Chi-restraints excluded: chain K residue   52 ASN
Chi-restraints excluded: chain K residue   62 MET
Chi-restraints excluded: chain K residue   92 THR
Chi-restraints excluded: chain K residue   94 HIS
Chi-restraints excluded: chain L residue   11 ILE
Chi-restraints excluded: chain L residue   14 ASP
Chi-restraints excluded: chain L residue   31 VAL
Chi-restraints excluded: chain L residue  123 LEU
Chi-restraints excluded: chain M residue    1 SER
Chi-restraints excluded: chain M residue   29 SER
Chi-restraints excluded: chain M residue   46 GLU
Chi-restraints excluded: chain M residue   58 LEU
Chi-restraints excluded: chain M residue   71 VAL
Chi-restraints excluded: chain M residue   87 ARG
Chi-restraints excluded: chain M residue   91 LEU
Chi-restraints excluded: chain M residue  113 ARG
Chi-restraints excluded: chain M residue  128 VAL
Chi-restraints excluded: chain N residue   28 VAL
Chi-restraints excluded: chain N residue   36 GLN
Chi-restraints excluded: chain N residue   46 VAL
Chi-restraints excluded: chain N residue   59 LYS
Chi-restraints excluded: chain N residue   83 THR
Chi-restraints excluded: chain N residue  121 ARG
Chi-restraints excluded: chain O residue   24 GLU
Chi-restraints excluded: chain O residue   40 ILE
Chi-restraints excluded: chain O residue   42 LEU
Chi-restraints excluded: chain O residue   44 THR
Chi-restraints excluded: chain P residue   41 LEU
Chi-restraints excluded: chain P residue   45 THR
Chi-restraints excluded: chain P residue   58 THR
Chi-restraints excluded: chain P residue   71 ASP
Chi-restraints excluded: chain P residue   73 VAL
Chi-restraints excluded: chain P residue   85 VAL
Chi-restraints excluded: chain P residue   96 ILE
Chi-restraints excluded: chain P residue  113 THR
Chi-restraints excluded: chain P residue  115 ILE
Chi-restraints excluded: chain Q residue   34 THR
Chi-restraints excluded: chain Q residue   40 THR
Chi-restraints excluded: chain Q residue   51 VAL
Chi-restraints excluded: chain Q residue   54 VAL
Chi-restraints excluded: chain Q residue   57 THR
Chi-restraints excluded: chain Q residue   58 ASN
Chi-restraints excluded: chain Q residue   62 VAL
Chi-restraints excluded: chain R residue   57 ASP
Chi-restraints excluded: chain R residue   73 SER
Chi-restraints excluded: chain R residue   84 CYS
Chi-restraints excluded: chain R residue  101 THR
Chi-restraints excluded: chain R residue  107 THR
Chi-restraints excluded: chain S residue   57 SER
Chi-restraints excluded: chain S residue   85 GLU
Chi-restraints excluded: chain T residue   12 SER
Chi-restraints excluded: chain T residue   21 THR
Chi-restraints excluded: chain T residue   23 SER
Chi-restraints excluded: chain T residue   24 THR
Chi-restraints excluded: chain U residue   23 ASP
Chi-restraints excluded: chain U residue   68 SER
Chi-restraints excluded: chain V residue   15 LYS
Chi-restraints excluded: chain V residue   21 VAL
Chi-restraints excluded: chain V residue   22 VAL
Chi-restraints excluded: chain V residue   56 ASP
Chi-restraints excluded: chain V residue   64 ARG
Chi-restraints excluded: chain V residue   69 THR
Chi-restraints excluded: chain V residue   74 LEU
Chi-restraints excluded: chain V residue   82 VAL
Chi-restraints excluded: chain W residue   25 ILE
Chi-restraints excluded: chain W residue   33 THR
Chi-restraints excluded: chain W residue   34 GLU
Chi-restraints excluded: chain W residue   35 SER
Chi-restraints excluded: chain W residue   44 THR
Chi-restraints excluded: chain W residue   46 THR
Chi-restraints excluded: chain W residue   50 TYR
Chi-restraints excluded: chain X residue    3 SER
Chi-restraints excluded: chain X residue   14 LEU
Chi-restraints excluded: chain X residue   15 LEU
Chi-restraints excluded: chain X residue   24 SER
Chi-restraints excluded: chain X residue   40 PHE
Chi-restraints excluded: chain X residue   50 VAL
Chi-restraints excluded: chain X residue   57 VAL
Chi-restraints excluded: chain X residue   59 VAL
Chi-restraints excluded: chain Y residue    5 SER
Chi-restraints excluded: chain Y residue   20 ASN
Chi-restraints excluded: chain Y residue   26 MET
Chi-restraints excluded: chain Y residue   53 MET
Chi-restraints excluded: chain Y residue   78 LEU
Chi-restraints excluded: chain Z residue   18 PHE
Chi-restraints excluded: chain Z residue   28 LEU
Chi-restraints excluded: chain Z residue   61 ARG
Chi-restraints excluded: chain Z residue   67 THR
Chi-restraints excluded: chain a residue   30 LEU
Chi-restraints excluded: chain a residue  166 ASP
Chi-restraints excluded: chain a residue  192 LEU
Rotamers are restrained with sigma=2.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 1057
   random chunks:
   chunk 630 optimal weight:   10.0000
   chunk 406 optimal weight:    2.9990
   chunk 608 optimal weight:   10.0000
   chunk 306 optimal weight:   10.0000
   chunk 200 optimal weight:    0.6980
   chunk 197 optimal weight:    0.8980
   chunk 647 optimal weight:   10.0000
   chunk 694 optimal weight:   20.0000
   chunk 503 optimal weight:    2.9990
   chunk 94 optimal weight:    0.5980
   chunk 800 optimal weight:    0.7980
   overall best weight:    1.1982

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

Flipped N/Q/H residues before XYZ refinement:
c  36 GLN
c  49 GLN
** e 134 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
f  44 HIS
** f  72 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
g  11 ASN
g  33 GLN
** g  73 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** h  57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** i  42 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
j  80 HIS
j 136 GLN
k   9 ASN
k  90 ASN
k  93 GLN
m   3 GLN
** n  31 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
p  11 GLN
r  12 HIS
s  61 ASN
** t  48 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
u  39 ASN
w   8 ASN
y  20 ASN
y  25 GLN
G  14 HIS
H  68 HIS
J  60 GLN
** K  11 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** L  67 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
L 141 HIS
** L 147 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
M  37 ASN
N  49 GLN
Q  71 HIS
Q  74 GLN
R  51 GLN
S  65 GLN
T  45 HIS
T  61 GLN
** U  26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** V  30 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** Y   2 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
Y  12 GLN
** Y  74 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**

Total number of N/Q/H flips: 31

-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8263
moved from start:          0.3864

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.003   0.064 163217  Z= 0.156
  Angle     :  0.614  13.035 244200  Z= 0.312
  Chirality :  0.034   0.331  31236
  Planarity :  0.005   0.073  13083
  Dihedral  : 23.211 179.430  81778
  Min Nonbonded Distance : 2.083

Molprobity Statistics.
  All-atom Clashscore : 14.09
  Ramachandran Plot:
    Outliers :  0.19 %
    Allowed  :  7.57 %
    Favored  : 92.25 %
  Rotamer:
    Outliers :  5.42 %
    Allowed  : 37.15 %
    Favored  : 57.43 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.02 %

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: -2.11 (0.10), residues: 5919
  helix: -0.47 (0.12), residues: 1837
  sheet: -1.52 (0.16), residues: 1051
  loop : -1.94 (0.11), residues: 3031

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.020   0.002   TRP b 212 
 HIS   0.030   0.001   HIS G  14 
 PHE   0.045   0.002   PHE G  15 
 TYR   0.031   0.002   TYR o  99 
 ARG   0.013   0.001   ARG f  54 

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

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

  11838 Ramachandran restraints generated.
    5919 Oldfield, 0 Emsley, 5919 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  11838 Ramachandran restraints generated.
    5919 Oldfield, 0 Emsley, 5919 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  1952 residues out of total 4910 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 266
    poor density    : 1686
  time to evaluate  : 6.540 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: 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: b   97 ASP cc_start: 0.8102 (p0) cc_final: 0.7781 (p0)
REVERT: b   99 GLU cc_start: 0.6912 (tt0) cc_final: 0.6602 (pt0)
REVERT: c    1 MET cc_start: 0.5409 (tpt) cc_final: 0.4258 (tpt)
REVERT: c   39 ASP cc_start: 0.7525 (p0) cc_final: 0.7022 (p0)
REVERT: c   59 ARG cc_start: 0.8250 (tpm170) cc_final: 0.7641 (tpp-160)
REVERT: c   94 GLN cc_start: 0.7524 (tt0) cc_final: 0.7260 (pt0)
REVERT: d   35 TYR cc_start: 0.8599 (t80) cc_final: 0.8286 (t80)
REVERT: d  115 GLN cc_start: 0.9010 (tt0) cc_final: 0.8696 (tm-30)
REVERT: d  132 LYS cc_start: 0.8248 (tttm) cc_final: 0.8008 (ttpp)
REVERT: d  163 ASN cc_start: 0.8434 (t0) cc_final: 0.8213 (t0)
REVERT: d  168 ASP cc_start: 0.8677 (t0) cc_final: 0.8247 (t0)
REVERT: d  169 VAL cc_start: 0.9245 (p) cc_final: 0.8946 (t)
REVERT: f    2 ARG cc_start: 0.9040 (mtp180) cc_final: 0.8821 (mtp180)
REVERT: f   21 GLN cc_start: 0.7807 (tp40) cc_final: 0.6836 (tp40)
REVERT: f   31 GLU cc_start: 0.9357 (tm-30) cc_final: 0.9103 (tm-30)
REVERT: f   38 ASP cc_start: 0.8747 (p0) cc_final: 0.8275 (p0)
REVERT: f  162 ARG cc_start: 0.7529 (OUTLIER) cc_final: 0.7308 (ptm160)
REVERT: g    7 ASP cc_start: 0.6756 (m-30) cc_final: 0.6343 (m-30)
REVERT: h    1 MET cc_start: 0.6166 (tmm) cc_final: 0.5354 (tmt)
REVERT: h   38 MET cc_start: 0.5508 (mmt) cc_final: 0.3455 (mpt)
REVERT: h   60 LEU cc_start: 0.7434 (tp) cc_final: 0.7021 (pt)
REVERT: h   86 MET cc_start: 0.2520 (OUTLIER) cc_final: 0.2110 (tpp)
REVERT: j   23 LYS cc_start: 0.8193 (mttp) cc_final: 0.7980 (mtmt)
REVERT: j  131 ASN cc_start: 0.7680 (OUTLIER) cc_final: 0.6877 (t0)
REVERT: k    9 ASN cc_start: 0.8667 (m-40) cc_final: 0.8336 (m110)
REVERT: k   29 HIS cc_start: 0.8160 (OUTLIER) cc_final: 0.7770 (t-90)
REVERT: l   19 LEU cc_start: 0.8931 (mp) cc_final: 0.8708 (tp)
REVERT: l   47 ARG cc_start: 0.8599 (OUTLIER) cc_final: 0.7131 (ptt90)
REVERT: l   77 ILE cc_start: 0.9111 (pt) cc_final: 0.8759 (pp)
REVERT: m   47 GLU cc_start: 0.8111 (tp30) cc_final: 0.7832 (tp30)
REVERT: m  103 TYR cc_start: 0.8633 (m-80) cc_final: 0.8371 (m-80)
REVERT: m  105 MET cc_start: 0.8000 (ptp) cc_final: 0.7166 (ptm)
REVERT: m  128 THR cc_start: 0.8219 (t) cc_final: 0.7858 (t)
REVERT: n   43 GLU cc_start: 0.8326 (tp30) cc_final: 0.8103 (mp0)
REVERT: n   44 LEU cc_start: 0.9234 (tp) cc_final: 0.8831 (tm)
REVERT: n   74 GLU cc_start: 0.7785 (tt0) cc_final: 0.7520 (tt0)
REVERT: n   94 TYR cc_start: 0.9287 (m-80) cc_final: 0.9018 (m-80)
REVERT: o    4 LYS cc_start: 0.8683 (OUTLIER) cc_final: 0.8353 (tptm)
REVERT: o   15 ARG cc_start: 0.7306 (OUTLIER) cc_final: 0.7059 (mmm160)
REVERT: o   19 GLN cc_start: 0.7617 (pt0) cc_final: 0.7307 (pt0)
REVERT: o  104 GLN cc_start: 0.8843 (tt0) cc_final: 0.8460 (tt0)
REVERT: p   23 ASP cc_start: 0.8088 (m-30) cc_final: 0.7844 (m-30)
REVERT: p  110 LYS cc_start: 0.7770 (ttpt) cc_final: 0.7456 (ttpp)
REVERT: q    7 VAL cc_start: 0.8578 (OUTLIER) cc_final: 0.8289 (t)
REVERT: q   96 ASP cc_start: 0.7815 (OUTLIER) cc_final: 0.7143 (t70)
REVERT: r   60 LYS cc_start: 0.8888 (mtmm) cc_final: 0.8599 (ptpt)
REVERT: s    8 ARG cc_start: 0.7953 (mtp-110) cc_final: 0.7624 (mtm180)
REVERT: s   15 GLN cc_start: 0.8690 (tt0) cc_final: 0.8296 (pt0)
REVERT: s   31 GLN cc_start: 0.8755 (tm-30) cc_final: 0.8496 (tm-30)
REVERT: s   40 ASN cc_start: 0.8783 (OUTLIER) cc_final: 0.8408 (m110)
REVERT: s   62 ASP cc_start: 0.7448 (m-30) cc_final: 0.7207 (m-30)
REVERT: s   92 ARG cc_start: 0.7483 (OUTLIER) cc_final: 0.6583 (ptm-80)
REVERT: t   44 LYS cc_start: 0.8858 (OUTLIER) cc_final: 0.8599 (ttmt)
REVERT: t   69 ARG cc_start: 0.8090 (ttp-110) cc_final: 0.7592 (mtp85)
REVERT: u    9 GLU cc_start: 0.8878 (tp30) cc_final: 0.8602 (tp30)
REVERT: u   21 ARG cc_start: 0.8037 (ttm110) cc_final: 0.7744 (ttm110)
REVERT: u   36 GLU cc_start: 0.8091 (OUTLIER) cc_final: 0.7589 (pm20)
REVERT: x    2 ARG cc_start: 0.8557 (mtt90) cc_final: 0.8133 (mtm180)
REVERT: y   17 GLU cc_start: 0.9210 (tm-30) cc_final: 0.8975 (tm-30)
REVERT: y   25 GLN cc_start: 0.8054 (pt0) cc_final: 0.7604 (pm20)
REVERT: y   27 ASN cc_start: 0.9254 (m110) cc_final: 0.8845 (m-40)
REVERT: y   39 GLN cc_start: 0.7663 (mt0) cc_final: 0.7127 (mt0)
REVERT: y   44 LYS cc_start: 0.9001 (tttp) cc_final: 0.8389 (ttpt)
REVERT: y   48 ARG cc_start: 0.7916 (mmt90) cc_final: 0.7267 (mmt180)
REVERT: y   52 ARG cc_start: 0.8552 (ttm110) cc_final: 0.7832 (ttp-110)
REVERT: B   14 MET cc_start: 0.8361 (mtm) cc_final: 0.8082 (mtm)
REVERT: C   36 LYS cc_start: 0.7929 (ttmt) cc_final: 0.7239 (ptmm)
REVERT: D    2 LYS cc_start: 0.8634 (ttpt) cc_final: 0.8424 (tttt)
REVERT: D    4 THR cc_start: 0.8675 (p) cc_final: 0.8417 (p)
REVERT: D   25 LYS cc_start: 0.7801 (tmmt) cc_final: 0.7356 (tmmt)
REVERT: D   29 GLN cc_start: 0.8449 (mm110) cc_final: 0.8200 (mm-40)
REVERT: E   63 TYR cc_start: 0.8017 (m-80) cc_final: 0.7670 (m-80)
REVERT: F   11 CYS cc_start: 0.8120 (OUTLIER) cc_final: 0.7858 (p)
REVERT: F   35 GLN cc_start: 0.8968 (pt0) cc_final: 0.8696 (pm20)
REVERT: G    8 MET cc_start: 0.9118 (ptp) cc_final: 0.8860 (ptt)
REVERT: G   18 GLN cc_start: 0.8455 (mt0) cc_final: 0.8243 (tt0)
REVERT: G   55 GLU cc_start: 0.8545 (tp30) cc_final: 0.8277 (tp30)
REVERT: G   99 MET cc_start: 0.8179 (OUTLIER) cc_final: 0.7947 (mpp)
REVERT: G  107 ARG cc_start: 0.8263 (ttm170) cc_final: 0.7979 (ttp-110)
REVERT: G  145 ASN cc_start: 0.8828 (m-40) cc_final: 0.8065 (OUTLIER)
REVERT: G  167 HIS cc_start: 0.8903 (t-90) cc_final: 0.8178 (t-90)
REVERT: G  168 GLU cc_start: 0.8393 (mm-30) cc_final: 0.7808 (mm-30)
REVERT: G  220 VAL cc_start: 0.9000 (t) cc_final: 0.8667 (m)
REVERT: H   71 ARG cc_start: 0.7897 (OUTLIER) cc_final: 0.7579 (mpp80)
REVERT: H   84 GLU cc_start: 0.8569 (tp30) cc_final: 0.7986 (tp30)
REVERT: H  109 GLU cc_start: 0.7682 (pm20) cc_final: 0.7468 (pm20)
REVERT: H  120 THR cc_start: 0.9246 (m) cc_final: 0.8798 (p)
REVERT: H  126 ARG cc_start: 0.8520 (OUTLIER) cc_final: 0.8298 (mpp-170)
REVERT: H  139 ASN cc_start: 0.8779 (m110) cc_final: 0.8064 (t0)
REVERT: H  151 GLU cc_start: 0.7663 (tm-30) cc_final: 0.7182 (tm-30)
REVERT: H  156 LEU cc_start: 0.8810 (OUTLIER) cc_final: 0.8423 (mm)
REVERT: H  169 GLU cc_start: 0.8155 (tm-30) cc_final: 0.7807 (tm-30)
REVERT: I   49 ASP cc_start: 0.8077 (OUTLIER) cc_final: 0.7840 (t70)
REVERT: I   59 LYS cc_start: 0.8868 (ttmm) cc_final: 0.8594 (tmtp)
REVERT: I  120 LYS cc_start: 0.8124 (mttt) cc_final: 0.7621 (mmmt)
REVERT: I  123 MET cc_start: 0.7755 (ptp) cc_final: 0.7515 (ppp)
REVERT: J   11 GLN cc_start: 0.7762 (tt0) cc_final: 0.7439 (tt0)
REVERT: J   18 ASN cc_start: 0.7453 (t0) cc_final: 0.6976 (t0)
REVERT: J   77 ASN cc_start: 0.8840 (t0) cc_final: 0.8565 (t0)
REVERT: J  104 ILE cc_start: 0.8471 (mp) cc_final: 0.8104 (mp)
REVERT: J  121 ASN cc_start: 0.8066 (OUTLIER) cc_final: 0.7400 (p0)
REVERT: J  146 MET cc_start: 0.7591 (ptm) cc_final: 0.7263 (ppp)
REVERT: K   33 GLU cc_start: 0.8798 (OUTLIER) cc_final: 0.8325 (pp20)
REVERT: K   56 LYS cc_start: 0.7943 (mtmt) cc_final: 0.7541 (tmtp)
REVERT: K   65 GLU cc_start: 0.7576 (tt0) cc_final: 0.6981 (tm-30)
REVERT: K   88 MET cc_start: 0.8109 (tmt) cc_final: 0.7715 (tmt)
REVERT: K   90 MET cc_start: 0.6725 (mtp) cc_final: 0.6379 (mtm)
REVERT: L    4 ARG cc_start: 0.7771 (tpm170) cc_final: 0.7564 (tpt170)
REVERT: L  123 LEU cc_start: 0.8861 (OUTLIER) cc_final: 0.8640 (mm)
REVERT: L  142 ARG cc_start: 0.8936 (mmt90) cc_final: 0.8599 (mmm-85)
REVERT: L  143 MET cc_start: 0.7846 (mmm) cc_final: 0.7447 (tpt)
REVERT: M   26 MET cc_start: 0.7844 (ptp) cc_final: 0.6685 (pmm)
REVERT: M   46 GLU cc_start: 0.8004 (OUTLIER) cc_final: 0.7349 (pp20)
REVERT: M  116 ARG cc_start: 0.7950 (mtm110) cc_final: 0.7550 (mtm110)
REVERT: M  117 GLN cc_start: 0.7864 (pp30) cc_final: 0.7324 (pp30)
REVERT: N   29 ILE cc_start: 0.8448 (pt) cc_final: 0.8131 (pp)
REVERT: N   52 GLU cc_start: 0.8416 (mm-30) cc_final: 0.8087 (mm-30)
REVERT: N   56 MET cc_start: 0.6378 (OUTLIER) cc_final: 0.5781 (pmt)
REVERT: N  119 LYS cc_start: 0.8408 (ptmm) cc_final: 0.7658 (ptmm)
REVERT: O    5 ARG cc_start: 0.7880 (tpp-160) cc_final: 0.7351 (tpm170)
REVERT: O   24 GLU cc_start: 0.8064 (OUTLIER) cc_final: 0.7839 (pm20)
REVERT: O   59 LYS cc_start: 0.8385 (OUTLIER) cc_final: 0.7725 (tppp)
REVERT: P   33 ILE cc_start: 0.8188 (mt) cc_final: 0.7935 (mp)
REVERT: P   63 GLN cc_start: 0.8430 (tt0) cc_final: 0.8091 (mt0)
REVERT: P   93 GLU cc_start: 0.8194 (mp0) cc_final: 0.7947 (mm-30)
REVERT: Q   79 ILE cc_start: 0.8717 (pt) cc_final: 0.8446 (pp)
REVERT: R   62 PHE cc_start: 0.6444 (t80) cc_final: 0.5943 (t80)
REVERT: R   97 ARG cc_start: 0.7562 (mmm-85) cc_final: 0.6452 (mmt90)
REVERT: R  102 LYS cc_start: 0.8547 (tttt) cc_final: 0.8216 (ttmm)
REVERT: S   11 LYS cc_start: 0.9073 (tmmm) cc_final: 0.8545 (tmmm)
REVERT: S   12 ARG cc_start: 0.8041 (mtt90) cc_final: 0.7835 (mtt90)
REVERT: S   15 LEU cc_start: 0.8455 (mp) cc_final: 0.8209 (mp)
REVERT: S   46 LYS cc_start: 0.8317 (tppt) cc_final: 0.7995 (tppp)
REVERT: S   53 ASP cc_start: 0.8203 (m-30) cc_final: 0.7968 (m-30)
REVERT: S   75 LYS cc_start: 0.9027 (tppt) cc_final: 0.8779 (ttmm)
REVERT: S   85 GLU cc_start: 0.8199 (OUTLIER) cc_final: 0.7469 (mp0)
REVERT: S   89 ARG cc_start: 0.7521 (mtp85) cc_final: 0.7211 (ptp-110)
REVERT: T   47 LYS cc_start: 0.8348 (mptp) cc_final: 0.8028 (mtmt)
REVERT: U    5 ARG cc_start: 0.8420 (mtm-85) cc_final: 0.7961 (mtp180)
REVERT: U   13 LYS cc_start: 0.8053 (tppt) cc_final: 0.7554 (mptm)
REVERT: U   18 GLN cc_start: 0.7917 (mp10) cc_final: 0.7425 (mp10)
REVERT: U   34 GLU cc_start: 0.8566 (pt0) cc_final: 0.7954 (pp20)
REVERT: U   51 ARG cc_start: 0.8057 (tmm-80) cc_final: 0.7125 (ttm170)
REVERT: V   37 ILE cc_start: 0.8322 (mt) cc_final: 0.8032 (pt)
REVERT: V   40 THR cc_start: 0.8560 (t) cc_final: 0.8359 (t)
REVERT: V   41 THR cc_start: 0.7500 (m) cc_final: 0.7215 (m)
REVERT: V   68 LYS cc_start: 0.8846 (tttp) cc_final: 0.8577 (ttmt)
REVERT: V   80 LYS cc_start: 0.8546 (ttmm) cc_final: 0.8070 (tptp)
REVERT: W   37 LYS cc_start: 0.8415 (mtpt) cc_final: 0.8016 (mtpp)
REVERT: W   60 ARG cc_start: 0.8647 (mtt180) cc_final: 0.8361 (mtp85)
REVERT: Y   54 GLN cc_start: 0.8766 (tt0) cc_final: 0.8213 (tt0)
REVERT: Y   69 ASN cc_start: 0.8645 (m110) cc_final: 0.8352 (m-40)
REVERT: Z   17 ARG cc_start: 0.7351 (ttt90) cc_final: 0.6886 (ttt-90)
REVERT: Z   28 LEU cc_start: 0.8774 (OUTLIER) cc_final: 0.8562 (mm)
REVERT: Z   45 LYS cc_start: 0.8599 (ttpt) cc_final: 0.8229 (tmmt)
REVERT: Z   48 LYS cc_start: 0.7622 (OUTLIER) cc_final: 0.6355 (tptm)
REVERT: Z   54 ARG cc_start: 0.8460 (mtp180) cc_final: 0.7932 (tmt90)
REVERT: Z   61 ARG cc_start: 0.7489 (OUTLIER) cc_final: 0.6218 (ppt90)
REVERT: a   33 LEU cc_start: 0.3193 (mt) cc_final: 0.2421 (pt)
REVERT: a  192 LEU cc_start: 0.7092 (OUTLIER) cc_final: 0.6840 (mm)
  outliers start: 266
  outliers final: 152
  residues processed: 1805
  average time/residue: 2.0557
  time to fit residues: 5440.6327
Evaluate side-chains
  1791 residues out of total 4910 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 182
    poor density    : 1609
  time to evaluate  : 6.531 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain b residue   23 LEU
Chi-restraints excluded: chain b residue   52 HIS
Chi-restraints excluded: chain b residue   76 VAL
Chi-restraints excluded: chain b residue   86 ARG
Chi-restraints excluded: chain b residue  117 SER
Chi-restraints excluded: chain b residue  143 VAL
Chi-restraints excluded: chain b residue  161 VAL
Chi-restraints excluded: chain b residue  172 THR
Chi-restraints excluded: chain c residue   22 ILE
Chi-restraints excluded: chain c residue   37 VAL
Chi-restraints excluded: chain c residue   43 ASP
Chi-restraints excluded: chain c residue   60 VAL
Chi-restraints excluded: chain c residue  110 THR
Chi-restraints excluded: chain c residue  126 ASN
Chi-restraints excluded: chain c residue  155 VAL
Chi-restraints excluded: chain d residue   75 SER
Chi-restraints excluded: chain d residue   96 VAL
Chi-restraints excluded: chain d residue  175 ILE
Chi-restraints excluded: chain d residue  187 VAL
Chi-restraints excluded: chain e residue   35 LEU
Chi-restraints excluded: chain e residue   39 VAL
Chi-restraints excluded: chain e residue   43 ILE
Chi-restraints excluded: chain e residue  107 VAL
Chi-restraints excluded: chain e residue  121 PHE
Chi-restraints excluded: chain f residue   18 ILE
Chi-restraints excluded: chain f residue   41 GLU
Chi-restraints excluded: chain f residue   88 LEU
Chi-restraints excluded: chain f residue  112 VAL
Chi-restraints excluded: chain f residue  126 THR
Chi-restraints excluded: chain f residue  132 LEU
Chi-restraints excluded: chain f residue  162 ARG
Chi-restraints excluded: chain g residue  146 VAL
Chi-restraints excluded: chain h residue   82 ILE
Chi-restraints excluded: chain h residue   86 MET
Chi-restraints excluded: chain i residue   16 MET
Chi-restraints excluded: chain i residue  117 THR
Chi-restraints excluded: chain j residue   21 THR
Chi-restraints excluded: chain j residue   67 ASN
Chi-restraints excluded: chain j residue   78 THR
Chi-restraints excluded: chain j residue   84 ILE
Chi-restraints excluded: chain j residue   88 THR
Chi-restraints excluded: chain j residue  103 ILE
Chi-restraints excluded: chain j residue  131 ASN
Chi-restraints excluded: chain k residue    8 LEU
Chi-restraints excluded: chain k residue   29 HIS
Chi-restraints excluded: chain k residue   57 VAL
Chi-restraints excluded: chain k residue   58 LEU
Chi-restraints excluded: chain k residue   65 THR
Chi-restraints excluded: chain k residue   76 VAL
Chi-restraints excluded: chain k residue  104 THR
Chi-restraints excluded: chain l residue    3 LEU
Chi-restraints excluded: chain l residue   47 ARG
Chi-restraints excluded: chain l residue   55 MET
Chi-restraints excluded: chain m residue   46 ILE
Chi-restraints excluded: chain n residue    6 SER
Chi-restraints excluded: chain n residue   15 SER
Chi-restraints excluded: chain o residue    4 LYS
Chi-restraints excluded: chain o residue   15 ARG
Chi-restraints excluded: chain o residue   18 LEU
Chi-restraints excluded: chain o residue   31 THR
Chi-restraints excluded: chain o residue   69 ASP
Chi-restraints excluded: chain o residue   95 SER
Chi-restraints excluded: chain p residue   79 VAL
Chi-restraints excluded: chain q residue    7 VAL
Chi-restraints excluded: chain q residue   96 ASP
Chi-restraints excluded: chain q residue   97 ILE
Chi-restraints excluded: chain r residue   38 VAL
Chi-restraints excluded: chain r residue   47 VAL
Chi-restraints excluded: chain r residue   63 VAL
Chi-restraints excluded: chain r residue   94 THR
Chi-restraints excluded: chain s residue   40 ASN
Chi-restraints excluded: chain s residue   92 ARG
Chi-restraints excluded: chain s residue  107 VAL
Chi-restraints excluded: chain t residue   17 SER
Chi-restraints excluded: chain t residue   31 VAL
Chi-restraints excluded: chain t residue   39 THR
Chi-restraints excluded: chain t residue   44 LYS
Chi-restraints excluded: chain t residue   74 ILE
Chi-restraints excluded: chain t residue   85 VAL
Chi-restraints excluded: chain u residue   36 GLU
Chi-restraints excluded: chain u residue   39 ASN
Chi-restraints excluded: chain v residue    8 VAL
Chi-restraints excluded: chain v residue   58 SER
Chi-restraints excluded: chain v residue   63 ILE
Chi-restraints excluded: chain v residue   64 VAL
Chi-restraints excluded: chain w residue   12 SER
Chi-restraints excluded: chain w residue   78 ILE
Chi-restraints excluded: chain x residue    7 THR
Chi-restraints excluded: chain x residue   12 VAL
Chi-restraints excluded: chain x residue   39 VAL
Chi-restraints excluded: chain x residue   46 VAL
Chi-restraints excluded: chain x residue   66 VAL
Chi-restraints excluded: chain y residue   21 LEU
Chi-restraints excluded: chain y residue   46 VAL
Chi-restraints excluded: chain z residue   30 ARG
Chi-restraints excluded: chain B residue   10 SER
Chi-restraints excluded: chain B residue   17 SER
Chi-restraints excluded: chain B residue   24 VAL
Chi-restraints excluded: chain C residue   46 VAL
Chi-restraints excluded: chain D residue   42 LEU
Chi-restraints excluded: chain E residue   32 LEU
Chi-restraints excluded: chain F residue   11 CYS
Chi-restraints excluded: chain F residue   22 VAL
Chi-restraints excluded: chain G residue   14 HIS
Chi-restraints excluded: chain G residue   42 LEU
Chi-restraints excluded: chain G residue   79 VAL
Chi-restraints excluded: chain G residue   81 ASP
Chi-restraints excluded: chain G residue   99 MET
Chi-restraints excluded: chain G residue  110 ILE
Chi-restraints excluded: chain G residue  126 ASP
Chi-restraints excluded: chain G residue  186 VAL
Chi-restraints excluded: chain H residue   55 VAL
Chi-restraints excluded: chain H residue   71 ARG
Chi-restraints excluded: chain H residue   96 VAL
Chi-restraints excluded: chain H residue  105 VAL
Chi-restraints excluded: chain H residue  123 LEU
Chi-restraints excluded: chain H residue  126 ARG
Chi-restraints excluded: chain H residue  156 LEU
Chi-restraints excluded: chain I residue   28 ASP
Chi-restraints excluded: chain I residue   49 ASP
Chi-restraints excluded: chain I residue   97 LEU
Chi-restraints excluded: chain I residue  124 VAL
Chi-restraints excluded: chain I residue  142 VAL
Chi-restraints excluded: chain J residue   31 SER
Chi-restraints excluded: chain J residue   55 VAL
Chi-restraints excluded: chain J residue   68 ARG
Chi-restraints excluded: chain J residue  105 ILE
Chi-restraints excluded: chain J residue  119 VAL
Chi-restraints excluded: chain J residue  121 ASN
Chi-restraints excluded: chain J residue  122 VAL
Chi-restraints excluded: chain J residue  152 VAL
Chi-restraints excluded: chain K residue    6 ILE
Chi-restraints excluded: chain K residue   18 VAL
Chi-restraints excluded: chain K residue   23 GLU
Chi-restraints excluded: chain K residue   33 GLU
Chi-restraints excluded: chain K residue   52 ASN
Chi-restraints excluded: chain K residue   92 THR
Chi-restraints excluded: chain L residue   37 THR
Chi-restraints excluded: chain L residue  123 LEU
Chi-restraints excluded: chain L residue  129 ASN
Chi-restraints excluded: chain M residue   46 GLU
Chi-restraints excluded: chain M residue   58 LEU
Chi-restraints excluded: chain M residue   71 VAL
Chi-restraints excluded: chain M residue  110 MET
Chi-restraints excluded: chain M residue  113 ARG
Chi-restraints excluded: chain M residue  128 VAL
Chi-restraints excluded: chain N residue   28 VAL
Chi-restraints excluded: chain N residue   36 GLN
Chi-restraints excluded: chain N residue   46 VAL
Chi-restraints excluded: chain N residue   56 MET
Chi-restraints excluded: chain N residue   59 LYS
Chi-restraints excluded: chain O residue   24 GLU
Chi-restraints excluded: chain O residue   59 LYS
Chi-restraints excluded: chain P residue   73 VAL
Chi-restraints excluded: chain P residue   85 VAL
Chi-restraints excluded: chain Q residue   40 THR
Chi-restraints excluded: chain Q residue   51 VAL
Chi-restraints excluded: chain Q residue   58 ASN
Chi-restraints excluded: chain Q residue   88 ASP
Chi-restraints excluded: chain R residue   57 ASP
Chi-restraints excluded: chain R residue  101 THR
Chi-restraints excluded: chain S residue   85 GLU
Chi-restraints excluded: chain T residue   24 THR
Chi-restraints excluded: chain U residue   23 ASP
Chi-restraints excluded: chain V residue   21 VAL
Chi-restraints excluded: chain V residue   22 VAL
Chi-restraints excluded: chain V residue   56 ASP
Chi-restraints excluded: chain V residue   64 ARG
Chi-restraints excluded: chain V residue   69 THR
Chi-restraints excluded: chain V residue   74 LEU
Chi-restraints excluded: chain W residue   25 ILE
Chi-restraints excluded: chain W residue   33 THR
Chi-restraints excluded: chain W residue   35 SER
Chi-restraints excluded: chain X residue    3 SER
Chi-restraints excluded: chain X residue   46 LEU
Chi-restraints excluded: chain Y residue   20 ASN
Chi-restraints excluded: chain Z residue   18 PHE
Chi-restraints excluded: chain Z residue   28 LEU
Chi-restraints excluded: chain Z residue   48 LYS
Chi-restraints excluded: chain Z residue   61 ARG
Chi-restraints excluded: chain a residue  166 ASP
Chi-restraints excluded: chain a residue  192 LEU
Rotamers are restrained with sigma=1.50
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 1057
   random chunks:
   chunk 926 optimal weight:    8.9990
   chunk 976 optimal weight:    8.9990
   chunk 890 optimal weight:   10.0000
   chunk 949 optimal weight:   50.0000
   chunk 975 optimal weight:   10.0000
   chunk 571 optimal weight:    6.9990
   chunk 413 optimal weight:   10.0000
   chunk 745 optimal weight:   10.0000
   chunk 291 optimal weight:    3.9990
   chunk 857 optimal weight:   10.0000
   chunk 897 optimal weight:   10.0000
   overall best weight:    7.7992

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

Flipped N/Q/H residues before XYZ refinement:
c  36 GLN
c  49 GLN
** e 134 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
f  37 ASN
f  44 HIS
** f  72 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** f 115 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
f 138 GLN
g  11 ASN
** g  73 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** h  57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** i  42 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
j  40 HIS
** k  93 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
m   3 GLN
** n  31 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
n 107 ASN
p  74 GLN
r  12 HIS
s  61 ASN
** t  48 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
w   8 ASN
y  20 ASN
G  14 HIS
** G  38 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
H  31 ASN
H  68 HIS
I 151 GLN
J  60 GLN
J  69 ASN
J 134 ASN
** K  11 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** K  68 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
** L  67 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** L 141 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** L 147 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
M  37 ASN
N  49 GLN
P  37 GLN
Q  71 HIS
Q  74 GLN
R  11 HIS
R  51 GLN
S  65 GLN
T  61 GLN
** U  26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** V  30 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
X  42 ASN
** Y   2 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
Y  12 GLN
** Y  74 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**

Total number of N/Q/H flips: 32

-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8367
moved from start:          0.3941

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.008   0.095 163217  Z= 0.476
  Angle     :  0.775  14.749 244200  Z= 0.388
  Chirality :  0.044   0.354  31236
  Planarity :  0.006   0.088  13083
  Dihedral  : 23.227 179.245  81778
  Min Nonbonded Distance : 1.924

Molprobity Statistics.
  All-atom Clashscore : 16.67
  Ramachandran Plot:
    Outliers :  0.22 %
    Allowed  : 10.27 %
    Favored  : 89.51 %
  Rotamer:
    Outliers :  6.09 %
    Allowed  : 37.37 %
    Favored  : 56.54 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.02 %

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: -2.30 (0.10), residues: 5919
  helix: -0.67 (0.12), residues: 1835
  sheet: -1.64 (0.16), residues: 1029
  loop : -2.02 (0.11), residues: 3055

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.029   0.002   TRP b 212 
 HIS   0.018   0.002   HIS G  14 
 PHE   0.034   0.003   PHE k 112 
 TYR   0.036   0.003   TYR o  99 
 ARG   0.016   0.001   ARG x  49 

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

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

  11838 Ramachandran restraints generated.
    5919 Oldfield, 0 Emsley, 5919 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  11838 Ramachandran restraints generated.
    5919 Oldfield, 0 Emsley, 5919 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  1905 residues out of total 4910 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 299
    poor density    : 1606
  time to evaluate  : 6.544 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: 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: b   97 ASP cc_start: 0.8209 (p0) cc_final: 0.7972 (p0)
REVERT: b  224 MET cc_start: 0.8392 (mmt) cc_final: 0.8095 (mmt)
REVERT: c    1 MET cc_start: 0.5433 (tpt) cc_final: 0.4359 (tpt)
REVERT: c   13 ARG cc_start: 0.8715 (OUTLIER) cc_final: 0.7529 (ptt-90)
REVERT: c   39 ASP cc_start: 0.7455 (p0) cc_final: 0.6929 (p0)
REVERT: c   94 GLN cc_start: 0.7629 (OUTLIER) cc_final: 0.7368 (pt0)
REVERT: d   35 TYR cc_start: 0.8752 (t80) cc_final: 0.8527 (t80)
REVERT: d  111 GLU cc_start: 0.8631 (tp30) cc_final: 0.8391 (tm-30)
REVERT: d  115 GLN cc_start: 0.9016 (tt0) cc_final: 0.8695 (tm-30)
REVERT: d  132 LYS cc_start: 0.8359 (tttm) cc_final: 0.7927 (ttpp)
REVERT: d  163 ASN cc_start: 0.8571 (t0) cc_final: 0.8264 (t0)
REVERT: d  168 ASP cc_start: 0.8654 (t0) cc_final: 0.8225 (t0)
REVERT: d  198 GLU cc_start: 0.8262 (mp0) cc_final: 0.7969 (mp0)
REVERT: f    2 ARG cc_start: 0.9017 (mtp180) cc_final: 0.8795 (mtp180)
REVERT: f   21 GLN cc_start: 0.7941 (tp40) cc_final: 0.6840 (tp40)
REVERT: f   31 GLU cc_start: 0.9276 (tm-30) cc_final: 0.8962 (tm-30)
REVERT: f   38 ASP cc_start: 0.8578 (p0) cc_final: 0.8263 (p0)
REVERT: f  152 ARG cc_start: 0.7877 (mmm-85) cc_final: 0.7450 (mmp80)
REVERT: f  162 ARG cc_start: 0.7565 (OUTLIER) cc_final: 0.7304 (ptm160)
REVERT: g    7 ASP cc_start: 0.6899 (m-30) cc_final: 0.6396 (m-30)
REVERT: g   22 LYS cc_start: 0.8277 (mttp) cc_final: 0.7830 (mtmt)
REVERT: h    1 MET cc_start: 0.6434 (tmm) cc_final: 0.5745 (tmt)
REVERT: h   38 MET cc_start: 0.5526 (mmt) cc_final: 0.3445 (mpt)
REVERT: h   86 MET cc_start: 0.2200 (OUTLIER) cc_final: 0.1705 (tpp)
REVERT: j   69 ARG cc_start: 0.8758 (OUTLIER) cc_final: 0.8281 (mtp-110)
REVERT: k   20 MET cc_start: 0.7976 (tpt) cc_final: 0.7482 (tpt)
REVERT: k   22 ILE cc_start: 0.8932 (pp) cc_final: 0.8693 (pt)
REVERT: k   29 HIS cc_start: 0.8222 (OUTLIER) cc_final: 0.7808 (t-90)
REVERT: l   47 ARG cc_start: 0.8660 (OUTLIER) cc_final: 0.7409 (ptt90)
REVERT: l   77 ILE cc_start: 0.9156 (pt) cc_final: 0.8769 (pp)
REVERT: m   47 GLU cc_start: 0.8210 (tp30) cc_final: 0.7990 (tp30)
REVERT: m  103 TYR cc_start: 0.8547 (m-80) cc_final: 0.8296 (m-80)
REVERT: n   43 GLU cc_start: 0.8556 (tp30) cc_final: 0.8074 (mp0)
REVERT: n   44 LEU cc_start: 0.9247 (tp) cc_final: 0.8849 (tm)
REVERT: n   74 GLU cc_start: 0.7949 (tt0) cc_final: 0.7662 (tt0)
REVERT: n   94 TYR cc_start: 0.9341 (m-80) cc_final: 0.8983 (m-80)
REVERT: o    4 LYS cc_start: 0.8823 (OUTLIER) cc_final: 0.8506 (tptm)
REVERT: o   19 GLN cc_start: 0.7535 (pt0) cc_final: 0.7279 (pt0)
REVERT: o   76 LYS cc_start: 0.9029 (tttt) cc_final: 0.8767 (tmmm)
REVERT: o  104 GLN cc_start: 0.9013 (tt0) cc_final: 0.8744 (tt0)
REVERT: p   11 GLN cc_start: 0.8316 (mt0) cc_final: 0.8005 (mt0)
REVERT: p   23 ASP cc_start: 0.8165 (m-30) cc_final: 0.7887 (m-30)
REVERT: p  110 LYS cc_start: 0.7932 (ttpt) cc_final: 0.7656 (ttpp)
REVERT: q    7 VAL cc_start: 0.8680 (OUTLIER) cc_final: 0.8403 (t)
REVERT: q   96 ASP cc_start: 0.8000 (OUTLIER) cc_final: 0.7524 (t70)
REVERT: r   12 HIS cc_start: 0.8673 (m-70) cc_final: 0.8462 (m90)
REVERT: r   60 LYS cc_start: 0.8873 (mtmm) cc_final: 0.8466 (ptpt)
REVERT: r   78 ARG cc_start: 0.8650 (OUTLIER) cc_final: 0.8230 (mmt90)
REVERT: s    8 ARG cc_start: 0.8036 (mtp-110) cc_final: 0.7707 (mtm180)
REVERT: s   15 GLN cc_start: 0.8774 (tt0) cc_final: 0.8478 (pt0)
REVERT: s   31 GLN cc_start: 0.8933 (tm-30) cc_final: 0.8555 (tm-30)
REVERT: s   40 ASN cc_start: 0.8904 (OUTLIER) cc_final: 0.8607 (m110)
REVERT: s   62 ASP cc_start: 0.7509 (m-30) cc_final: 0.7222 (m-30)
REVERT: s   69 LEU cc_start: 0.8457 (tp) cc_final: 0.8219 (mt)
REVERT: s   92 ARG cc_start: 0.7722 (OUTLIER) cc_final: 0.6899 (ptm-80)
REVERT: s   95 ARG cc_start: 0.8383 (OUTLIER) cc_final: 0.7532 (ptp-110)
REVERT: t   44 LYS cc_start: 0.8945 (OUTLIER) cc_final: 0.8667 (ttmt)
REVERT: t   66 LYS cc_start: 0.8086 (OUTLIER) cc_final: 0.7811 (mttm)
REVERT: t   69 ARG cc_start: 0.8139 (ttp-110) cc_final: 0.7560 (mtp85)
REVERT: u    9 GLU cc_start: 0.8834 (tp30) cc_final: 0.8609 (tp30)
REVERT: u   28 LEU cc_start: 0.7716 (mm) cc_final: 0.7276 (mp)
REVERT: u   36 GLU cc_start: 0.8290 (OUTLIER) cc_final: 0.7779 (pm20)
REVERT: u   93 ARG cc_start: 0.8395 (pmm-80) cc_final: 0.8017 (pmm-80)
REVERT: v   41 GLU cc_start: 0.7168 (tm-30) cc_final: 0.6315 (tm-30)
REVERT: v   50 MET cc_start: 0.8661 (ttm) cc_final: 0.8384 (ttm)
REVERT: w   36 GLN cc_start: 0.8694 (pt0) cc_final: 0.8491 (pt0)
REVERT: x    5 GLN cc_start: 0.8329 (mm-40) cc_final: 0.7557 (mp10)
REVERT: x   76 LYS cc_start: 0.7937 (OUTLIER) cc_final: 0.7417 (ttmt)
REVERT: y   17 GLU cc_start: 0.9288 (tm-30) cc_final: 0.8907 (tm-30)
REVERT: y   27 ASN cc_start: 0.9291 (m110) cc_final: 0.8593 (m-40)
REVERT: y   36 GLN cc_start: 0.8345 (mt0) cc_final: 0.8064 (mp10)
REVERT: y   39 GLN cc_start: 0.7836 (mt0) cc_final: 0.7159 (mt0)
REVERT: y   44 LYS cc_start: 0.9011 (tttp) cc_final: 0.8735 (ttpt)
REVERT: y   52 ARG cc_start: 0.8675 (ttm110) cc_final: 0.7969 (mtm-85)
REVERT: B   14 MET cc_start: 0.8385 (mtm) cc_final: 0.8178 (mtm)
REVERT: C   36 LYS cc_start: 0.8264 (ttmt) cc_final: 0.7379 (ptmm)
REVERT: D    4 THR cc_start: 0.8805 (p) cc_final: 0.8556 (p)
REVERT: E   63 TYR cc_start: 0.8261 (m-80) cc_final: 0.7849 (m-80)
REVERT: F   11 CYS cc_start: 0.8250 (OUTLIER) cc_final: 0.7986 (p)
REVERT: G    8 MET cc_start: 0.9262 (ptp) cc_final: 0.8710 (ptt)
REVERT: G   18 GLN cc_start: 0.8526 (mt0) cc_final: 0.8288 (tt0)
REVERT: G   99 MET cc_start: 0.8366 (OUTLIER) cc_final: 0.7985 (mpp)
REVERT: G  107 ARG cc_start: 0.8361 (ttm170) cc_final: 0.8067 (ttp-110)
REVERT: G  111 LYS cc_start: 0.9068 (mtmt) cc_final: 0.8861 (tmmt)
REVERT: G  144 GLU cc_start: 0.7522 (OUTLIER) cc_final: 0.7103 (tt0)
REVERT: G  145 ASN cc_start: 0.8931 (m-40) cc_final: 0.8269 (OUTLIER)
REVERT: G  167 HIS cc_start: 0.8948 (t-90) cc_final: 0.8110 (t-90)
REVERT: G  220 VAL cc_start: 0.9031 (t) cc_final: 0.8708 (m)
REVERT: H   57 GLU cc_start: 0.5171 (OUTLIER) cc_final: 0.4941 (tp30)
REVERT: H   71 ARG cc_start: 0.7963 (OUTLIER) cc_final: 0.7678 (mpp80)
REVERT: H   84 GLU cc_start: 0.8524 (tp30) cc_final: 0.7812 (tp30)
REVERT: H  109 GLU cc_start: 0.7924 (pm20) cc_final: 0.7599 (pm20)
REVERT: H  126 ARG cc_start: 0.8514 (OUTLIER) cc_final: 0.8258 (mpp-170)
REVERT: H  139 ASN cc_start: 0.8804 (m110) cc_final: 0.7969 (t0)
REVERT: H  151 GLU cc_start: 0.7678 (tm-30) cc_final: 0.7182 (tm-30)
REVERT: H  156 LEU cc_start: 0.8878 (OUTLIER) cc_final: 0.8498 (mm)
REVERT: H  169 GLU cc_start: 0.8147 (tm-30) cc_final: 0.7674 (tm-30)
REVERT: I   50 TYR cc_start: 0.8179 (t80) cc_final: 0.7952 (t80)
REVERT: I  120 LYS cc_start: 0.8230 (mttt) cc_final: 0.7738 (mtpt)
REVERT: I  123 MET cc_start: 0.7798 (ptp) cc_final: 0.7442 (ppp)
REVERT: J   11 GLN cc_start: 0.7759 (tt0) cc_final: 0.7401 (tt0)
REVERT: J   18 ASN cc_start: 0.7491 (t0) cc_final: 0.7172 (t0)
REVERT: J   61 LYS cc_start: 0.8559 (ttmt) cc_final: 0.8271 (ttpt)
REVERT: J   71 ILE cc_start: 0.8811 (pp) cc_final: 0.8508 (pt)
REVERT: J   72 ASN cc_start: 0.8537 (m-40) cc_final: 0.7674 (t0)
REVERT: J   77 ASN cc_start: 0.8903 (t0) cc_final: 0.8624 (t0)
REVERT: J  104 ILE cc_start: 0.8606 (mp) cc_final: 0.8303 (mp)
REVERT: J  146 MET cc_start: 0.7657 (ptm) cc_final: 0.7331 (ppp)
REVERT: K   33 GLU cc_start: 0.8872 (OUTLIER) cc_final: 0.8405 (pp20)
REVERT: K   56 LYS cc_start: 0.7995 (mtmt) cc_final: 0.7605 (tmtp)
REVERT: K   65 GLU cc_start: 0.8009 (tt0) cc_final: 0.6802 (tm-30)
REVERT: K   86 ARG cc_start: 0.7323 (OUTLIER) cc_final: 0.6641 (ttt90)
REVERT: K   88 MET cc_start: 0.8112 (tmt) cc_final: 0.7811 (tmt)
REVERT: K   90 MET cc_start: 0.7118 (mtp) cc_final: 0.6611 (mtm)
REVERT: L   25 PHE cc_start: 0.9110 (t80) cc_final: 0.8891 (t80)
REVERT: L  102 TRP cc_start: 0.9193 (m-10) cc_final: 0.8878 (m-10)
REVERT: L  123 LEU cc_start: 0.8921 (OUTLIER) cc_final: 0.8668 (mm)
REVERT: L  142 ARG cc_start: 0.8935 (mmt90) cc_final: 0.8579 (mmm-85)
REVERT: L  143 MET cc_start: 0.7972 (mmm) cc_final: 0.7568 (tpt)
REVERT: M   26 MET cc_start: 0.7950 (ptp) cc_final: 0.6854 (pmm)
REVERT: M   46 GLU cc_start: 0.8154 (OUTLIER) cc_final: 0.7481 (pp20)
REVERT: M  116 ARG cc_start: 0.8029 (mtm110) cc_final: 0.7799 (mtm110)
REVERT: M  117 GLN cc_start: 0.7918 (pp30) cc_final: 0.7337 (pp30)
REVERT: N   52 GLU cc_start: 0.8376 (mm-30) cc_final: 0.7856 (mm-30)
REVERT: N   56 MET cc_start: 0.6482 (OUTLIER) cc_final: 0.5896 (pmt)
REVERT: N   71 ILE cc_start: 0.9084 (OUTLIER) cc_final: 0.8662 (mm)
REVERT: N  119 LYS cc_start: 0.8320 (ptmm) cc_final: 0.7578 (ptmm)
REVERT: O    5 ARG cc_start: 0.7961 (tpp-160) cc_final: 0.7364 (tpm170)
REVERT: O   24 GLU cc_start: 0.7958 (OUTLIER) cc_final: 0.7746 (pm20)
REVERT: O   59 LYS cc_start: 0.8407 (OUTLIER) cc_final: 0.7737 (tppp)
REVERT: P   33 ILE cc_start: 0.8230 (mt) cc_final: 0.7930 (mp)
REVERT: P   36 ARG cc_start: 0.8520 (ptp-110) cc_final: 0.8273 (ptp-110)
REVERT: Q   17 LYS cc_start: 0.7490 (tppt) cc_final: 0.7254 (tppt)
REVERT: Q   79 ILE cc_start: 0.8827 (pt) cc_final: 0.8555 (pp)
REVERT: R    3 ILE cc_start: 0.8908 (pp) cc_final: 0.8703 (pt)
REVERT: R   62 PHE cc_start: 0.6629 (t80) cc_final: 0.5928 (t80)
REVERT: R   97 ARG cc_start: 0.7664 (mmm-85) cc_final: 0.6567 (mmt90)
REVERT: R  102 LYS cc_start: 0.8698 (tttt) cc_final: 0.8321 (ttmm)
REVERT: S   11 LYS cc_start: 0.9205 (tmmm) cc_final: 0.8717 (tmmm)
REVERT: S   15 LEU cc_start: 0.8536 (mp) cc_final: 0.8294 (mp)
REVERT: S   46 LYS cc_start: 0.8349 (tppt) cc_final: 0.8001 (tppp)
REVERT: S   75 LYS cc_start: 0.8968 (tppt) cc_final: 0.8691 (ttmm)
REVERT: S   85 GLU cc_start: 0.8186 (OUTLIER) cc_final: 0.7429 (mp0)
REVERT: S   89 ARG cc_start: 0.7708 (mtp85) cc_final: 0.7344 (ptp-110)
REVERT: T    9 LYS cc_start: 0.8923 (ptpt) cc_final: 0.8293 (mmtt)
REVERT: T   47 LYS cc_start: 0.8661 (mptp) cc_final: 0.8228 (mtmt)
REVERT: U   12 LYS cc_start: 0.7255 (ttpp) cc_final: 0.6863 (tttm)
REVERT: U   13 LYS cc_start: 0.8269 (tppt) cc_final: 0.7672 (mptm)
REVERT: U   18 GLN cc_start: 0.7829 (mp10) cc_final: 0.7407 (mp10)
REVERT: U   51 ARG cc_start: 0.7920 (tmm-80) cc_final: 0.6952 (ttm170)
REVERT: V    7 LEU cc_start: 0.8540 (OUTLIER) cc_final: 0.8320 (pt)
REVERT: V   40 THR cc_start: 0.8548 (t) cc_final: 0.8347 (t)
REVERT: V   41 THR cc_start: 0.7517 (m) cc_final: 0.7227 (m)
REVERT: V   80 LYS cc_start: 0.8713 (ttmm) cc_final: 0.8169 (tptp)
REVERT: W   37 LYS cc_start: 0.8580 (mtpt) cc_final: 0.8143 (mtpp)
REVERT: X   43 MET cc_start: 0.8326 (ppp) cc_final: 0.8074 (pmm)
REVERT: Y   50 PHE cc_start: 0.7684 (t80) cc_final: 0.7466 (t80)
REVERT: Y   53 MET cc_start: 0.7653 (tmm) cc_final: 0.7334 (mtm)
REVERT: Y   54 GLN cc_start: 0.8784 (tt0) cc_final: 0.8028 (tt0)
REVERT: Y   69 ASN cc_start: 0.8733 (m110) cc_final: 0.8413 (m-40)
REVERT: Z   17 ARG cc_start: 0.7480 (ttt90) cc_final: 0.6983 (ttt-90)
REVERT: Z   28 LEU cc_start: 0.8890 (OUTLIER) cc_final: 0.8592 (mm)
REVERT: Z   45 LYS cc_start: 0.8641 (ttpt) cc_final: 0.8229 (tmmt)
REVERT: Z   48 LYS cc_start: 0.7714 (OUTLIER) cc_final: 0.6316 (tptm)
REVERT: Z   54 ARG cc_start: 0.8541 (mtp180) cc_final: 0.7940 (tmt90)
REVERT: Z   61 ARG cc_start: 0.7474 (OUTLIER) cc_final: 0.6083 (ppt90)
REVERT: a   33 LEU cc_start: 0.3332 (mt) cc_final: 0.2593 (pt)
REVERT: a  192 LEU cc_start: 0.6673 (OUTLIER) cc_final: 0.6385 (mm)
  outliers start: 299
  outliers final: 193
  residues processed: 1749
  average time/residue: 2.0699
  time to fit residues: 5323.8830
Evaluate side-chains
  1764 residues out of total 4910 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 231
    poor density    : 1533
  time to evaluate  : 6.441 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain b residue   48 ILE
Chi-restraints excluded: chain b residue   52 HIS
Chi-restraints excluded: chain b residue   76 VAL
Chi-restraints excluded: chain b residue   86 ARG
Chi-restraints excluded: chain b residue  117 SER
Chi-restraints excluded: chain b residue  143 VAL
Chi-restraints excluded: chain b residue  153 LEU
Chi-restraints excluded: chain b residue  159 THR
Chi-restraints excluded: chain b residue  161 VAL
Chi-restraints excluded: chain b residue  172 THR
Chi-restraints excluded: chain b residue  222 THR
Chi-restraints excluded: chain b residue  263 ASP
Chi-restraints excluded: chain c residue   13 ARG
Chi-restraints excluded: chain c residue   22 ILE
Chi-restraints excluded: chain c residue   37 VAL
Chi-restraints excluded: chain c residue   43 ASP
Chi-restraints excluded: chain c residue   60 VAL
Chi-restraints excluded: chain c residue   84 LEU
Chi-restraints excluded: chain c residue   94 GLN
Chi-restraints excluded: chain c residue  110 THR
Chi-restraints excluded: chain c residue  126 ASN
Chi-restraints excluded: chain c residue  131 ASP
Chi-restraints excluded: chain c residue  155 VAL
Chi-restraints excluded: chain c residue  189 VAL
Chi-restraints excluded: chain d residue   75 SER
Chi-restraints excluded: chain d residue   96 VAL
Chi-restraints excluded: chain d residue  187 VAL
Chi-restraints excluded: chain e residue   35 LEU
Chi-restraints excluded: chain e residue   39 VAL
Chi-restraints excluded: chain e residue   43 ILE
Chi-restraints excluded: chain e residue  107 VAL
Chi-restraints excluded: chain e residue  121 PHE
Chi-restraints excluded: chain f residue   10 VAL
Chi-restraints excluded: chain f residue   18 ILE
Chi-restraints excluded: chain f residue   37 ASN
Chi-restraints excluded: chain f residue   41 GLU
Chi-restraints excluded: chain f residue   74 MET
Chi-restraints excluded: chain f residue   88 LEU
Chi-restraints excluded: chain f residue  112 VAL
Chi-restraints excluded: chain f residue  113 ASP
Chi-restraints excluded: chain f residue  126 THR
Chi-restraints excluded: chain f residue  132 LEU
Chi-restraints excluded: chain f residue  162 ARG
Chi-restraints excluded: chain g residue    6 LEU
Chi-restraints excluded: chain g residue  146 VAL
Chi-restraints excluded: chain h residue   82 ILE
Chi-restraints excluded: chain h residue   86 MET
Chi-restraints excluded: chain i residue   16 MET
Chi-restraints excluded: chain i residue  117 THR
Chi-restraints excluded: chain i residue  129 GLU
Chi-restraints excluded: chain j residue    3 THR
Chi-restraints excluded: chain j residue   17 VAL
Chi-restraints excluded: chain j residue   21 THR
Chi-restraints excluded: chain j residue   60 ASP
Chi-restraints excluded: chain j residue   67 ASN
Chi-restraints excluded: chain j residue   69 ARG
Chi-restraints excluded: chain j residue   70 THR
Chi-restraints excluded: chain j residue   78 THR
Chi-restraints excluded: chain j residue   84 ILE
Chi-restraints excluded: chain j residue   88 THR
Chi-restraints excluded: chain j residue  131 ASN
Chi-restraints excluded: chain k residue    8 LEU
Chi-restraints excluded: chain k residue   29 HIS
Chi-restraints excluded: chain k residue   57 VAL
Chi-restraints excluded: chain k residue   58 LEU
Chi-restraints excluded: chain k residue   76 VAL
Chi-restraints excluded: chain k residue   78 ARG
Chi-restraints excluded: chain k residue  104 THR
Chi-restraints excluded: chain l residue    3 LEU
Chi-restraints excluded: chain l residue   47 ARG
Chi-restraints excluded: chain l residue   55 MET
Chi-restraints excluded: chain m residue   42 THR
Chi-restraints excluded: chain m residue   80 VAL
Chi-restraints excluded: chain m residue  132 THR
Chi-restraints excluded: chain n residue    5 LYS
Chi-restraints excluded: chain n residue   15 SER
Chi-restraints excluded: chain n residue   76 VAL
Chi-restraints excluded: chain n residue   97 ILE
Chi-restraints excluded: chain n residue  114 GLU
Chi-restraints excluded: chain o residue    4 LYS
Chi-restraints excluded: chain o residue    8 ILE
Chi-restraints excluded: chain o residue   18 LEU
Chi-restraints excluded: chain o residue   31 THR
Chi-restraints excluded: chain o residue   35 ILE
Chi-restraints excluded: chain o residue   69 ASP
Chi-restraints excluded: chain o residue   95 SER
Chi-restraints excluded: chain o residue  103 VAL
Chi-restraints excluded: chain p residue   64 SER
Chi-restraints excluded: chain p residue   79 VAL
Chi-restraints excluded: chain p residue  103 THR
Chi-restraints excluded: chain q residue    7 VAL
Chi-restraints excluded: chain q residue   16 ILE
Chi-restraints excluded: chain q residue   96 ASP
Chi-restraints excluded: chain r residue    7 SER
Chi-restraints excluded: chain r residue   38 VAL
Chi-restraints excluded: chain r residue   47 VAL
Chi-restraints excluded: chain r residue   63 VAL
Chi-restraints excluded: chain r residue   78 ARG
Chi-restraints excluded: chain r residue   94 THR
Chi-restraints excluded: chain s residue   40 ASN
Chi-restraints excluded: chain s residue   74 ILE
Chi-restraints excluded: chain s residue   92 ARG
Chi-restraints excluded: chain s residue   95 ARG
Chi-restraints excluded: chain s residue  107 VAL
Chi-restraints excluded: chain t residue   17 SER
Chi-restraints excluded: chain t residue   31 VAL
Chi-restraints excluded: chain t residue   44 LYS
Chi-restraints excluded: chain t residue   55 VAL
Chi-restraints excluded: chain t residue   66 LYS
Chi-restraints excluded: chain t residue   85 VAL
Chi-restraints excluded: chain u residue   36 GLU
Chi-restraints excluded: chain v residue    8 VAL
Chi-restraints excluded: chain v residue   63 ILE
Chi-restraints excluded: chain v residue   64 VAL
Chi-restraints excluded: chain w residue   12 SER
Chi-restraints excluded: chain x residue    7 THR
Chi-restraints excluded: chain x residue   12 VAL
Chi-restraints excluded: chain x residue   34 SER
Chi-restraints excluded: chain x residue   39 VAL
Chi-restraints excluded: chain x residue   46 VAL
Chi-restraints excluded: chain x residue   57 VAL
Chi-restraints excluded: chain x residue   66 VAL
Chi-restraints excluded: chain x residue   67 LEU
Chi-restraints excluded: chain x residue   76 LYS
Chi-restraints excluded: chain y residue   21 LEU
Chi-restraints excluded: chain y residue   46 VAL
Chi-restraints excluded: chain z residue   30 ARG
Chi-restraints excluded: chain B residue   17 SER
Chi-restraints excluded: chain B residue   24 VAL
Chi-restraints excluded: chain B residue   42 ILE
Chi-restraints excluded: chain B residue   45 ASP
Chi-restraints excluded: chain C residue   16 THR
Chi-restraints excluded: chain C residue   46 VAL
Chi-restraints excluded: chain D residue    9 VAL
Chi-restraints excluded: chain D residue   42 LEU
Chi-restraints excluded: chain E residue   32 LEU
Chi-restraints excluded: chain F residue   11 CYS
Chi-restraints excluded: chain F residue   22 VAL
Chi-restraints excluded: chain G residue   42 LEU
Chi-restraints excluded: chain G residue   79 VAL
Chi-restraints excluded: chain G residue   81 ASP
Chi-restraints excluded: chain G residue   99 MET
Chi-restraints excluded: chain G residue  126 ASP
Chi-restraints excluded: chain G residue  144 GLU
Chi-restraints excluded: chain G residue  186 VAL
Chi-restraints excluded: chain H residue   55 VAL
Chi-restraints excluded: chain H residue   57 GLU
Chi-restraints excluded: chain H residue   71 ARG
Chi-restraints excluded: chain H residue   96 VAL
Chi-restraints excluded: chain H residue  105 VAL
Chi-restraints excluded: chain H residue  123 LEU
Chi-restraints excluded: chain H residue  126 ARG
Chi-restraints excluded: chain H residue  127 VAL
Chi-restraints excluded: chain H residue  156 LEU
Chi-restraints excluded: chain H residue  185 THR
Chi-restraints excluded: chain H residue  189 HIS
Chi-restraints excluded: chain I residue   28 ASP
Chi-restraints excluded: chain I residue   97 LEU
Chi-restraints excluded: chain I residue  124 VAL
Chi-restraints excluded: chain I residue  151 GLN
Chi-restraints excluded: chain I residue  180 THR
Chi-restraints excluded: chain I residue  200 VAL
Chi-restraints excluded: chain J residue   31 SER
Chi-restraints excluded: chain J residue   55 VAL
Chi-restraints excluded: chain J residue   68 ARG
Chi-restraints excluded: chain J residue  105 ILE
Chi-restraints excluded: chain J residue  121 ASN
Chi-restraints excluded: chain J residue  122 VAL
Chi-restraints excluded: chain K residue    6 ILE
Chi-restraints excluded: chain K residue   18 VAL
Chi-restraints excluded: chain K residue   23 GLU
Chi-restraints excluded: chain K residue   33 GLU
Chi-restraints excluded: chain K residue   52 ASN
Chi-restraints excluded: chain K residue   86 ARG
Chi-restraints excluded: chain K residue   92 THR
Chi-restraints excluded: chain L residue  123 LEU
Chi-restraints excluded: chain M residue    1 SER
Chi-restraints excluded: chain M residue   29 SER
Chi-restraints excluded: chain M residue   46 GLU
Chi-restraints excluded: chain M residue   58 LEU
Chi-restraints excluded: chain M residue   71 VAL
Chi-restraints excluded: chain M residue  113 ARG
Chi-restraints excluded: chain M residue  128 VAL
Chi-restraints excluded: chain N residue   28 VAL
Chi-restraints excluded: chain N residue   36 GLN
Chi-restraints excluded: chain N residue   56 MET
Chi-restraints excluded: chain N residue   59 LYS
Chi-restraints excluded: chain N residue   71 ILE
Chi-restraints excluded: chain N residue  121 ARG
Chi-restraints excluded: chain O residue   24 GLU
Chi-restraints excluded: chain O residue   40 ILE
Chi-restraints excluded: chain O residue   59 LYS
Chi-restraints excluded: chain P residue   58 THR
Chi-restraints excluded: chain P residue   73 VAL
Chi-restraints excluded: chain P residue   85 VAL
Chi-restraints excluded: chain P residue   96 ILE
Chi-restraints excluded: chain P residue  115 ILE
Chi-restraints excluded: chain Q residue   51 VAL
Chi-restraints excluded: chain Q residue   58 ASN
Chi-restraints excluded: chain Q residue   80 LEU
Chi-restraints excluded: chain Q residue   96 THR
Chi-restraints excluded: chain R residue   57 ASP
Chi-restraints excluded: chain R residue  101 THR
Chi-restraints excluded: chain R residue  107 THR
Chi-restraints excluded: chain S residue   85 GLU
Chi-restraints excluded: chain T residue   21 THR
Chi-restraints excluded: chain T residue   24 THR
Chi-restraints excluded: chain U residue   23 ASP
Chi-restraints excluded: chain V residue    7 LEU
Chi-restraints excluded: chain V residue   15 LYS
Chi-restraints excluded: chain V residue   21 VAL
Chi-restraints excluded: chain V residue   22 VAL
Chi-restraints excluded: chain V residue   56 ASP
Chi-restraints excluded: chain V residue   64 ARG
Chi-restraints excluded: chain V residue   69 THR
Chi-restraints excluded: chain V residue   74 LEU
Chi-restraints excluded: chain W residue   25 ILE
Chi-restraints excluded: chain W residue   33 THR
Chi-restraints excluded: chain W residue   35 SER
Chi-restraints excluded: chain W residue   44 THR
Chi-restraints excluded: chain W residue   50 TYR
Chi-restraints excluded: chain X residue    3 SER
Chi-restraints excluded: chain X residue   14 LEU
Chi-restraints excluded: chain X residue   46 LEU
Chi-restraints excluded: chain Y residue   20 ASN
Chi-restraints excluded: chain Z residue   18 PHE
Chi-restraints excluded: chain Z residue   28 LEU
Chi-restraints excluded: chain Z residue   48 LYS
Chi-restraints excluded: chain Z residue   61 ARG
Chi-restraints excluded: chain a residue  166 ASP
Chi-restraints excluded: chain a residue  192 LEU
Rotamers are restrained with sigma=1.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 1057
   random chunks:
   chunk 946 optimal weight:   50.0000
   chunk 623 optimal weight:   20.0000
   chunk 1003 optimal weight:    8.9990
   chunk 612 optimal weight:   10.0000
   chunk 476 optimal weight:    4.9990
   chunk 697 optimal weight:   20.0000
   chunk 1053 optimal weight:   10.0000
   chunk 969 optimal weight:    5.9990
   chunk 838 optimal weight:   40.0000
   chunk 87 optimal weight:   20.0000
   chunk 647 optimal weight:   10.0000
   overall best weight:    7.9994

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

Flipped N/Q/H residues before XYZ refinement:
** c  36 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
d  90 GLN
** e 134 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
f  37 ASN
f  44 HIS
** f  72 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
f 138 GLN
g  11 ASN
** g  73 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** h  57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** i  42 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
j 136 GLN
k  90 ASN
** k  93 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
m   3 GLN
** n  31 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
p  14 GLN
p  74 GLN
s  61 ASN
** t  48 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
w   8 ASN
y  20 ASN
y  25 GLN
D  29 GLN
** G  38 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
H  68 HIS
I 151 GLN
J  69 ASN
J 145 ASN
** K  11 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** K  68 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
** L  67 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** L 141 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** L 147 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
M  37 ASN
N  49 GLN
Q  71 HIS
Q  74 GLN
R  11 HIS
S  65 GLN
** T  41 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** T  45 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
T  61 GLN
** U  26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** V  30 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** Y   2 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** Y  60 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
** Y  74 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**

Total number of N/Q/H flips: 26

-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8371
moved from start:          0.4091

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.008   0.103 163217  Z= 0.483
  Angle     :  0.793  17.030 244200  Z= 0.398
  Chirality :  0.044   0.402  31236
  Planarity :  0.006   0.086  13083
  Dihedral  : 23.331 179.800  81778
  Min Nonbonded Distance : 1.913

Molprobity Statistics.
  All-atom Clashscore : 17.16
  Ramachandran Plot:
    Outliers :  0.20 %
    Allowed  : 10.12 %
    Favored  : 89.68 %
  Rotamer:
    Outliers :  5.87 %
    Allowed  : 37.92 %
    Favored  : 56.21 %
  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: -2.50 (0.10), residues: 5919
  helix: -0.88 (0.12), residues: 1835
  sheet: -1.71 (0.16), residues: 983
  loop : -2.14 (0.10), residues: 3101

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.032   0.003   TRP b 212 
 HIS   0.007   0.002   HIS x  19 
 PHE   0.037   0.003   PHE k 112 
 TYR   0.038   0.003   TYR o  99 
 ARG   0.020   0.001   ARG f  54 

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

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

  11838 Ramachandran restraints generated.
    5919 Oldfield, 0 Emsley, 5919 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  11838 Ramachandran restraints generated.
    5919 Oldfield, 0 Emsley, 5919 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  1894 residues out of total 4910 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 288
    poor density    : 1606
  time to evaluate  : 5.964 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: 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: b   97 ASP cc_start: 0.8258 (p0) cc_final: 0.8045 (p0)
REVERT: b  134 ILE cc_start: 0.9283 (mt) cc_final: 0.8975 (tt)
REVERT: b  224 MET cc_start: 0.8443 (mmt) cc_final: 0.8150 (mmt)
REVERT: c   13 ARG cc_start: 0.8744 (OUTLIER) cc_final: 0.7685 (ptt-90)
REVERT: c   39 ASP cc_start: 0.7641 (p0) cc_final: 0.7126 (p0)
REVERT: c  169 ARG cc_start: 0.8711 (OUTLIER) cc_final: 0.8417 (mmm160)
REVERT: d    2 GLU cc_start: 0.8407 (mp0) cc_final: 0.7746 (mm-30)
REVERT: d   35 TYR cc_start: 0.8724 (t80) cc_final: 0.8504 (t80)
REVERT: d  115 GLN cc_start: 0.9019 (tt0) cc_final: 0.8721 (tm-30)
REVERT: d  132 LYS cc_start: 0.8382 (tttm) cc_final: 0.8000 (ttpp)
REVERT: d  163 ASN cc_start: 0.8625 (t0) cc_final: 0.8300 (t0)
REVERT: d  168 ASP cc_start: 0.8709 (t0) cc_final: 0.8271 (t0)
REVERT: d  188 MET cc_start: 0.8278 (mmm) cc_final: 0.7890 (mmt)
REVERT: d  198 GLU cc_start: 0.8283 (mp0) cc_final: 0.7969 (mp0)
REVERT: f    2 ARG cc_start: 0.8962 (mtp180) cc_final: 0.8754 (mtp180)
REVERT: f   21 GLN cc_start: 0.7949 (tp40) cc_final: 0.6884 (tp-100)
REVERT: f   31 GLU cc_start: 0.9282 (tm-30) cc_final: 0.8979 (tm-30)
REVERT: f   37 ASN cc_start: 0.7875 (OUTLIER) cc_final: 0.7461 (t0)
REVERT: f   38 ASP cc_start: 0.8343 (p0) cc_final: 0.7958 (p0)
REVERT: f  138 GLN cc_start: 0.8201 (tp40) cc_final: 0.7966 (tp-100)
REVERT: f  152 ARG cc_start: 0.7764 (mmm-85) cc_final: 0.7449 (mmp80)
REVERT: f  162 ARG cc_start: 0.7623 (OUTLIER) cc_final: 0.7380 (ptm160)
REVERT: g    7 ASP cc_start: 0.7006 (m-30) cc_final: 0.6556 (m-30)
REVERT: g    8 LYS cc_start: 0.7822 (ttpp) cc_final: 0.7591 (ttpp)
REVERT: h    1 MET cc_start: 0.6584 (tmm) cc_final: 0.5940 (tmt)
REVERT: h   86 MET cc_start: 0.2182 (OUTLIER) cc_final: 0.1693 (tpp)
REVERT: j   23 LYS cc_start: 0.8467 (mttp) cc_final: 0.8263 (mttt)
REVERT: j   69 ARG cc_start: 0.8694 (OUTLIER) cc_final: 0.8194 (mtp-110)
REVERT: k   20 MET cc_start: 0.7932 (tpt) cc_final: 0.7466 (tpt)
REVERT: k   29 HIS cc_start: 0.8130 (OUTLIER) cc_final: 0.7767 (t-90)
REVERT: l   19 LEU cc_start: 0.9125 (mp) cc_final: 0.8920 (tp)
REVERT: l   47 ARG cc_start: 0.8593 (OUTLIER) cc_final: 0.7409 (ptt90)
REVERT: l   73 ILE cc_start: 0.8807 (pt) cc_final: 0.8561 (pp)
REVERT: l   77 ILE cc_start: 0.9202 (pt) cc_final: 0.8827 (pp)
REVERT: m   47 GLU cc_start: 0.8191 (tp30) cc_final: 0.7966 (tp30)
REVERT: m  103 TYR cc_start: 0.8596 (m-80) cc_final: 0.8323 (m-80)
REVERT: m  115 GLU cc_start: 0.7967 (tt0) cc_final: 0.7539 (pt0)
REVERT: n   20 MET cc_start: 0.7543 (OUTLIER) cc_final: 0.7258 (ttp)
REVERT: n   43 GLU cc_start: 0.8494 (tp30) cc_final: 0.7954 (mp0)
REVERT: n   44 LEU cc_start: 0.9246 (tp) cc_final: 0.8839 (tm)
REVERT: n   74 GLU cc_start: 0.7904 (tt0) cc_final: 0.7584 (tt0)
REVERT: n   94 TYR cc_start: 0.9338 (m-80) cc_final: 0.8983 (m-80)
REVERT: o    4 LYS cc_start: 0.8809 (OUTLIER) cc_final: 0.8500 (tptm)
REVERT: o   19 GLN cc_start: 0.7565 (pt0) cc_final: 0.7316 (pt0)
REVERT: o   76 LYS cc_start: 0.9022 (tttt) cc_final: 0.8760 (tmmm)
REVERT: o  104 GLN cc_start: 0.8988 (tt0) cc_final: 0.8678 (tt0)
REVERT: p   23 ASP cc_start: 0.8186 (m-30) cc_final: 0.7924 (m-30)
REVERT: p  110 LYS cc_start: 0.7945 (ttpt) cc_final: 0.7679 (ttpp)
REVERT: q    7 VAL cc_start: 0.8719 (OUTLIER) cc_final: 0.8425 (t)
REVERT: q   86 SER cc_start: 0.8437 (m) cc_final: 0.8231 (p)
REVERT: q   96 ASP cc_start: 0.7958 (OUTLIER) cc_final: 0.7587 (t70)
REVERT: r   60 LYS cc_start: 0.8866 (mtmm) cc_final: 0.8450 (ptpt)
REVERT: r   78 ARG cc_start: 0.8676 (OUTLIER) cc_final: 0.8284 (mmt90)
REVERT: s    8 ARG cc_start: 0.8028 (mtp-110) cc_final: 0.7700 (mtm180)
REVERT: s   15 GLN cc_start: 0.8802 (tt0) cc_final: 0.8314 (pt0)
REVERT: s   31 GLN cc_start: 0.8975 (tm-30) cc_final: 0.8440 (tp-100)
REVERT: s   38 TYR cc_start: 0.8864 (m-80) cc_final: 0.8647 (m-80)
REVERT: s   69 LEU cc_start: 0.8452 (tp) cc_final: 0.8223 (mt)
REVERT: s   92 ARG cc_start: 0.7756 (OUTLIER) cc_final: 0.6911 (ptm-80)
REVERT: t   44 LYS cc_start: 0.8945 (OUTLIER) cc_final: 0.8691 (ttmt)
REVERT: t   66 LYS cc_start: 0.8168 (OUTLIER) cc_final: 0.7877 (mttm)
REVERT: t   69 ARG cc_start: 0.8144 (ttp-110) cc_final: 0.7554 (mtp85)
REVERT: u    9 GLU cc_start: 0.8753 (tp30) cc_final: 0.8486 (tp30)
REVERT: u   21 ARG cc_start: 0.8502 (ttp-110) cc_final: 0.8181 (ttm110)
REVERT: u   28 LEU cc_start: 0.7859 (mm) cc_final: 0.7459 (mp)
REVERT: u   36 GLU cc_start: 0.8239 (OUTLIER) cc_final: 0.7733 (pm20)
REVERT: v   41 GLU cc_start: 0.7225 (tm-30) cc_final: 0.6434 (tm-30)
REVERT: v   50 MET cc_start: 0.8629 (ttm) cc_final: 0.8402 (ttm)
REVERT: w   25 GLU cc_start: 0.7636 (tt0) cc_final: 0.7422 (tt0)
REVERT: w   36 GLN cc_start: 0.8708 (pt0) cc_final: 0.8502 (pt0)
REVERT: x   76 LYS cc_start: 0.7964 (OUTLIER) cc_final: 0.7418 (ttmt)
REVERT: y   17 GLU cc_start: 0.9266 (tm-30) cc_final: 0.8827 (tm-30)
REVERT: y   25 GLN cc_start: 0.7928 (pt0) cc_final: 0.7594 (pm20)
REVERT: y   27 ASN cc_start: 0.9310 (m110) cc_final: 0.8639 (m-40)
REVERT: y   39 GLN cc_start: 0.7898 (mt0) cc_final: 0.7226 (mt0)
REVERT: y   44 LYS cc_start: 0.9011 (tttp) cc_final: 0.8724 (ttpt)
REVERT: y   52 ARG cc_start: 0.8678 (ttm110) cc_final: 0.7926 (ttp-110)
REVERT: B   14 MET cc_start: 0.8434 (mtm) cc_final: 0.8176 (mtm)
REVERT: D    2 LYS cc_start: 0.8891 (tttt) cc_final: 0.8270 (ptmt)
REVERT: D    4 THR cc_start: 0.8842 (p) cc_final: 0.8588 (p)
REVERT: D   22 MET cc_start: 0.8848 (mmm) cc_final: 0.8526 (mmm)
REVERT: D   29 GLN cc_start: 0.8607 (mm110) cc_final: 0.8311 (mm-40)
REVERT: E   63 TYR cc_start: 0.8205 (m-80) cc_final: 0.7854 (m-80)
REVERT: F   11 CYS cc_start: 0.8236 (OUTLIER) cc_final: 0.8001 (p)
REVERT: F   18 LYS cc_start: 0.7927 (tttt) cc_final: 0.7665 (ttmt)
REVERT: F   35 GLN cc_start: 0.9024 (pt0) cc_final: 0.8744 (pm20)
REVERT: G    8 MET cc_start: 0.9287 (ptp) cc_final: 0.8776 (ptt)
REVERT: G   18 GLN cc_start: 0.8549 (mt0) cc_final: 0.8337 (tt0)
REVERT: G   39 ILE cc_start: 0.8304 (mm) cc_final: 0.8066 (tp)
REVERT: G   77 GLU cc_start: 0.8226 (tp30) cc_final: 0.7962 (tp30)
REVERT: G   99 MET cc_start: 0.8281 (OUTLIER) cc_final: 0.7901 (mpp)
REVERT: G  107 ARG cc_start: 0.8411 (ttm170) cc_final: 0.8118 (ttp-110)
REVERT: G  135 MET cc_start: 0.8413 (pp-130) cc_final: 0.7813 (pmm)
REVERT: G  145 ASN cc_start: 0.8952 (m-40) cc_final: 0.8286 (OUTLIER)
REVERT: G  150 ILE cc_start: 0.9544 (tt) cc_final: 0.9333 (tt)
REVERT: G  167 HIS cc_start: 0.8941 (t-90) cc_final: 0.8157 (t-90)
REVERT: H   71 ARG cc_start: 0.7916 (OUTLIER) cc_final: 0.7073 (tpp80)
REVERT: H  109 GLU cc_start: 0.7869 (pm20) cc_final: 0.7595 (pm20)
REVERT: H  126 ARG cc_start: 0.8497 (OUTLIER) cc_final: 0.8206 (mpp-170)
REVERT: H  139 ASN cc_start: 0.8800 (m110) cc_final: 0.7945 (t0)
REVERT: H  151 GLU cc_start: 0.7650 (tm-30) cc_final: 0.7132 (tm-30)
REVERT: H  156 LEU cc_start: 0.8853 (OUTLIER) cc_final: 0.8465 (mm)
REVERT: H  169 GLU cc_start: 0.8104 (tm-30) cc_final: 0.7614 (tm-30)
REVERT: I   50 TYR cc_start: 0.8141 (t80) cc_final: 0.7916 (t80)
REVERT: I  120 LYS cc_start: 0.8204 (mttt) cc_final: 0.7899 (mmtp)
REVERT: I  123 MET cc_start: 0.7761 (ptp) cc_final: 0.7428 (ppp)
REVERT: J   11 GLN cc_start: 0.7846 (tt0) cc_final: 0.7483 (tt0)
REVERT: J   18 ASN cc_start: 0.7500 (t0) cc_final: 0.7205 (t0)
REVERT: J   61 LYS cc_start: 0.8590 (ttmt) cc_final: 0.8310 (ttpt)
REVERT: J   72 ASN cc_start: 0.8611 (m-40) cc_final: 0.7966 (t0)
REVERT: J   77 ASN cc_start: 0.8915 (t0) cc_final: 0.8622 (t0)
REVERT: J  104 ILE cc_start: 0.8710 (mp) cc_final: 0.8274 (mp)
REVERT: J  146 MET cc_start: 0.7724 (ptm) cc_final: 0.7431 (ppp)
REVERT: K   33 GLU cc_start: 0.8854 (OUTLIER) cc_final: 0.8359 (pp20)
REVERT: K   56 LYS cc_start: 0.8084 (mtmt) cc_final: 0.7694 (tmtp)
REVERT: K   65 GLU cc_start: 0.7672 (tt0) cc_final: 0.6987 (tm-30)
REVERT: K   88 MET cc_start: 0.8138 (tmt) cc_final: 0.7868 (tmt)
REVERT: L   11 ILE cc_start: 0.3107 (OUTLIER) cc_final: 0.2870 (pt)
REVERT: L   27 ASN cc_start: 0.8886 (m-40) cc_final: 0.8621 (m-40)
REVERT: L  123 LEU cc_start: 0.8877 (OUTLIER) cc_final: 0.8573 (mm)
REVERT: L  142 ARG cc_start: 0.8931 (mmt90) cc_final: 0.8615 (mmm-85)
REVERT: L  143 MET cc_start: 0.8042 (mmm) cc_final: 0.7611 (tpt)
REVERT: M   26 MET cc_start: 0.7993 (ptp) cc_final: 0.6743 (pmm)
REVERT: M   46 GLU cc_start: 0.8166 (OUTLIER) cc_final: 0.7482 (pp20)
REVERT: M   51 GLU cc_start: 0.8890 (pp20) cc_final: 0.8570 (pp20)
REVERT: M  116 ARG cc_start: 0.8022 (mtm110) cc_final: 0.7786 (mtm110)
REVERT: M  117 GLN cc_start: 0.7944 (pp30) cc_final: 0.7398 (pp30)
REVERT: N   29 ILE cc_start: 0.8607 (OUTLIER) cc_final: 0.8242 (tp)
REVERT: N   52 GLU cc_start: 0.8343 (mm-30) cc_final: 0.7891 (mm-30)
REVERT: N   56 MET cc_start: 0.6583 (OUTLIER) cc_final: 0.5971 (pmt)
REVERT: N   71 ILE cc_start: 0.9089 (OUTLIER) cc_final: 0.8650 (mm)
REVERT: N  102 PHE cc_start: 0.8203 (m-80) cc_final: 0.7925 (m-80)
REVERT: N  119 LYS cc_start: 0.8374 (ptmm) cc_final: 0.7620 (ptmm)
REVERT: O    5 ARG cc_start: 0.7876 (tpp-160) cc_final: 0.7430 (tpm170)
REVERT: O   16 ARG cc_start: 0.8851 (tmm160) cc_final: 0.8098 (ttm-80)
REVERT: O   24 GLU cc_start: 0.7712 (OUTLIER) cc_final: 0.7475 (pm20)
REVERT: O   59 LYS cc_start: 0.8413 (OUTLIER) cc_final: 0.7734 (tppp)
REVERT: P   33 ILE cc_start: 0.8227 (mt) cc_final: 0.7914 (mp)
REVERT: P   74 LYS cc_start: 0.9047 (ptmm) cc_final: 0.8714 (pptt)
REVERT: Q   79 ILE cc_start: 0.8805 (pt) cc_final: 0.8517 (pp)
REVERT: R   62 PHE cc_start: 0.6592 (t80) cc_final: 0.6007 (t80)
REVERT: R   74 MET cc_start: 0.7931 (ppp) cc_final: 0.7600 (ppp)
REVERT: R   97 ARG cc_start: 0.7667 (mmm-85) cc_final: 0.7455 (mmt90)
REVERT: R  102 LYS cc_start: 0.8702 (tttt) cc_final: 0.8323 (ttmm)
REVERT: S   11 LYS cc_start: 0.9206 (tmmm) cc_final: 0.8765 (tmmm)
REVERT: S   15 LEU cc_start: 0.8526 (mp) cc_final: 0.8310 (mp)
REVERT: S   46 LYS cc_start: 0.8340 (tppt) cc_final: 0.7993 (tppp)
REVERT: S   75 LYS cc_start: 0.8979 (tppt) cc_final: 0.8700 (ttmm)
REVERT: S   85 GLU cc_start: 0.8163 (OUTLIER) cc_final: 0.7356 (mp0)
REVERT: S   89 ARG cc_start: 0.7407 (mtp85) cc_final: 0.7174 (ptp-110)
REVERT: T   25 GLU cc_start: 0.8347 (mp0) cc_final: 0.8101 (mp0)
REVERT: T   47 LYS cc_start: 0.8666 (mptp) cc_final: 0.8246 (mtmt)
REVERT: U    5 ARG cc_start: 0.8590 (mtm-85) cc_final: 0.8263 (mtm-85)
REVERT: U   12 LYS cc_start: 0.7310 (ttpp) cc_final: 0.6969 (tttm)
REVERT: U   13 LYS cc_start: 0.8264 (tppt) cc_final: 0.7781 (mptm)
REVERT: U   18 GLN cc_start: 0.7838 (mp10) cc_final: 0.7403 (mp10)
REVERT: U   51 ARG cc_start: 0.7914 (tmm-80) cc_final: 0.6939 (ttm170)
REVERT: U   70 ARG cc_start: 0.8146 (mtp180) cc_final: 0.7938 (mmm160)
REVERT: V    7 LEU cc_start: 0.8556 (OUTLIER) cc_final: 0.8351 (pt)
REVERT: V   41 THR cc_start: 0.7513 (m) cc_final: 0.7230 (m)
REVERT: V   80 LYS cc_start: 0.8720 (ttmm) cc_final: 0.8171 (tptp)
REVERT: W   37 LYS cc_start: 0.8474 (mtpt) cc_final: 0.8192 (mtpt)
REVERT: Y   50 PHE cc_start: 0.7641 (t80) cc_final: 0.7428 (t80)
REVERT: Y   53 MET cc_start: 0.7561 (tmm) cc_final: 0.7224 (mtm)
REVERT: Y   54 GLN cc_start: 0.8861 (tt0) cc_final: 0.8147 (tt0)
REVERT: Y   69 ASN cc_start: 0.8683 (m110) cc_final: 0.8362 (m-40)
REVERT: Z   17 ARG cc_start: 0.7547 (ttt90) cc_final: 0.7067 (ttt-90)
REVERT: Z   28 LEU cc_start: 0.8880 (OUTLIER) cc_final: 0.8582 (mm)
REVERT: Z   45 LYS cc_start: 0.8681 (ttpt) cc_final: 0.8264 (tmmt)
REVERT: Z   48 LYS cc_start: 0.7689 (OUTLIER) cc_final: 0.6288 (tptm)
REVERT: Z   54 ARG cc_start: 0.8558 (mtp180) cc_final: 0.7931 (tmt90)
REVERT: Z   61 ARG cc_start: 0.7542 (OUTLIER) cc_final: 0.6170 (ppt90)
REVERT: a   33 LEU cc_start: 0.3078 (mt) cc_final: 0.2688 (pt)
REVERT: a  189 LEU cc_start: 0.5317 (pt) cc_final: 0.5106 (pt)
REVERT: a  192 LEU cc_start: 0.6778 (OUTLIER) cc_final: 0.6520 (mm)
  outliers start: 288
  outliers final: 203
  residues processed: 1744
  average time/residue: 2.0946
  time to fit residues: 5354.3136
Evaluate side-chains
  1786 residues out of total 4910 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 240
    poor density    : 1546
  time to evaluate  : 6.462 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain b residue   48 ILE
Chi-restraints excluded: chain b residue   50 THR
Chi-restraints excluded: chain b residue   52 HIS
Chi-restraints excluded: chain b residue   76 VAL
Chi-restraints excluded: chain b residue   86 ARG
Chi-restraints excluded: chain b residue  117 SER
Chi-restraints excluded: chain b residue  143 VAL
Chi-restraints excluded: chain b residue  153 LEU
Chi-restraints excluded: chain b residue  159 THR
Chi-restraints excluded: chain b residue  172 THR
Chi-restraints excluded: chain b residue  263 ASP
Chi-restraints excluded: chain c residue   13 ARG
Chi-restraints excluded: chain c residue   22 ILE
Chi-restraints excluded: chain c residue   37 VAL
Chi-restraints excluded: chain c residue   43 ASP
Chi-restraints excluded: chain c residue   60 VAL
Chi-restraints excluded: chain c residue   84 LEU
Chi-restraints excluded: chain c residue  103 ASP
Chi-restraints excluded: chain c residue  110 THR
Chi-restraints excluded: chain c residue  126 ASN
Chi-restraints excluded: chain c residue  131 ASP
Chi-restraints excluded: chain c residue  155 VAL
Chi-restraints excluded: chain c residue  169 ARG
Chi-restraints excluded: chain c residue  189 VAL
Chi-restraints excluded: chain d residue   15 SER
Chi-restraints excluded: chain d residue   75 SER
Chi-restraints excluded: chain d residue   80 SER
Chi-restraints excluded: chain d residue   96 VAL
Chi-restraints excluded: chain d residue  175 ILE
Chi-restraints excluded: chain d residue  184 ASP
Chi-restraints excluded: chain d residue  187 VAL
Chi-restraints excluded: chain e residue   35 LEU
Chi-restraints excluded: chain e residue   39 VAL
Chi-restraints excluded: chain e residue   43 ILE
Chi-restraints excluded: chain e residue  107 VAL
Chi-restraints excluded: chain e residue  121 PHE
Chi-restraints excluded: chain f residue   18 ILE
Chi-restraints excluded: chain f residue   37 ASN
Chi-restraints excluded: chain f residue   41 GLU
Chi-restraints excluded: chain f residue   74 MET
Chi-restraints excluded: chain f residue   88 LEU
Chi-restraints excluded: chain f residue  112 VAL
Chi-restraints excluded: chain f residue  126 THR
Chi-restraints excluded: chain f residue  132 LEU
Chi-restraints excluded: chain f residue  162 ARG
Chi-restraints excluded: chain g residue  146 VAL
Chi-restraints excluded: chain h residue   82 ILE
Chi-restraints excluded: chain h residue   86 MET
Chi-restraints excluded: chain i residue   16 MET
Chi-restraints excluded: chain i residue  117 THR
Chi-restraints excluded: chain i residue  129 GLU
Chi-restraints excluded: chain j residue    3 THR
Chi-restraints excluded: chain j residue   21 THR
Chi-restraints excluded: chain j residue   25 LEU
Chi-restraints excluded: chain j residue   67 ASN
Chi-restraints excluded: chain j residue   69 ARG
Chi-restraints excluded: chain j residue   70 THR
Chi-restraints excluded: chain j residue   78 THR
Chi-restraints excluded: chain j residue   84 ILE
Chi-restraints excluded: chain j residue   88 THR
Chi-restraints excluded: chain j residue  103 ILE
Chi-restraints excluded: chain k residue    8 LEU
Chi-restraints excluded: chain k residue   29 HIS
Chi-restraints excluded: chain k residue   57 VAL
Chi-restraints excluded: chain k residue   58 LEU
Chi-restraints excluded: chain k residue   76 VAL
Chi-restraints excluded: chain k residue   78 ARG
Chi-restraints excluded: chain k residue  104 THR
Chi-restraints excluded: chain l residue    3 LEU
Chi-restraints excluded: chain l residue   47 ARG
Chi-restraints excluded: chain l residue   55 MET
Chi-restraints excluded: chain l residue   82 LEU
Chi-restraints excluded: chain l residue  101 ILE
Chi-restraints excluded: chain m residue   89 VAL
Chi-restraints excluded: chain m residue  129 THR
Chi-restraints excluded: chain m residue  132 THR
Chi-restraints excluded: chain n residue   15 SER
Chi-restraints excluded: chain n residue   20 MET
Chi-restraints excluded: chain n residue   76 VAL
Chi-restraints excluded: chain n residue   97 ILE
Chi-restraints excluded: chain n residue  114 GLU
Chi-restraints excluded: chain o residue    4 LYS
Chi-restraints excluded: chain o residue    8 ILE
Chi-restraints excluded: chain o residue   18 LEU
Chi-restraints excluded: chain o residue   31 THR
Chi-restraints excluded: chain o residue   35 ILE
Chi-restraints excluded: chain o residue   58 ILE
Chi-restraints excluded: chain o residue   60 GLU
Chi-restraints excluded: chain o residue   69 ASP
Chi-restraints excluded: chain o residue   95 SER
Chi-restraints excluded: chain o residue  103 VAL
Chi-restraints excluded: chain p residue   25 VAL
Chi-restraints excluded: chain p residue   64 SER
Chi-restraints excluded: chain p residue   79 VAL
Chi-restraints excluded: chain p residue  103 THR
Chi-restraints excluded: chain q residue    7 VAL
Chi-restraints excluded: chain q residue   16 ILE
Chi-restraints excluded: chain q residue   96 ASP
Chi-restraints excluded: chain r residue    7 SER
Chi-restraints excluded: chain r residue   38 VAL
Chi-restraints excluded: chain r residue   47 VAL
Chi-restraints excluded: chain r residue   63 VAL
Chi-restraints excluded: chain r residue   78 ARG
Chi-restraints excluded: chain r residue   94 THR
Chi-restraints excluded: chain s residue   40 ASN
Chi-restraints excluded: chain s residue   92 ARG
Chi-restraints excluded: chain s residue   96 ILE
Chi-restraints excluded: chain s residue  107 VAL
Chi-restraints excluded: chain t residue   17 SER
Chi-restraints excluded: chain t residue   31 VAL
Chi-restraints excluded: chain t residue   44 LYS
Chi-restraints excluded: chain t residue   55 VAL
Chi-restraints excluded: chain t residue   66 LYS
Chi-restraints excluded: chain t residue   85 VAL
Chi-restraints excluded: chain u residue   36 GLU
Chi-restraints excluded: chain v residue    8 VAL
Chi-restraints excluded: chain v residue   58 SER
Chi-restraints excluded: chain v residue   63 ILE
Chi-restraints excluded: chain v residue   64 VAL
Chi-restraints excluded: chain w residue   12 SER
Chi-restraints excluded: chain x residue    7 THR
Chi-restraints excluded: chain x residue   12 VAL
Chi-restraints excluded: chain x residue   34 SER
Chi-restraints excluded: chain x residue   39 VAL
Chi-restraints excluded: chain x residue   46 VAL
Chi-restraints excluded: chain x residue   57 VAL
Chi-restraints excluded: chain x residue   66 VAL
Chi-restraints excluded: chain x residue   67 LEU
Chi-restraints excluded: chain x residue   76 LYS
Chi-restraints excluded: chain y residue   21 LEU
Chi-restraints excluded: chain y residue   46 VAL
Chi-restraints excluded: chain z residue   30 ARG
Chi-restraints excluded: chain B residue   17 SER
Chi-restraints excluded: chain B residue   24 VAL
Chi-restraints excluded: chain B residue   33 SER
Chi-restraints excluded: chain B residue   42 ILE
Chi-restraints excluded: chain B residue   43 THR
Chi-restraints excluded: chain B residue   45 ASP
Chi-restraints excluded: chain C residue   16 THR
Chi-restraints excluded: chain C residue   46 VAL
Chi-restraints excluded: chain D residue    9 VAL
Chi-restraints excluded: chain E residue    5 THR
Chi-restraints excluded: chain E residue   32 LEU
Chi-restraints excluded: chain F residue   11 CYS
Chi-restraints excluded: chain F residue   22 VAL
Chi-restraints excluded: chain G residue   42 LEU
Chi-restraints excluded: chain G residue   79 VAL
Chi-restraints excluded: chain G residue   81 ASP
Chi-restraints excluded: chain G residue   96 LEU
Chi-restraints excluded: chain G residue   99 MET
Chi-restraints excluded: chain G residue  126 ASP
Chi-restraints excluded: chain G residue  186 VAL
Chi-restraints excluded: chain H residue   55 VAL
Chi-restraints excluded: chain H residue   71 ARG
Chi-restraints excluded: chain H residue   96 VAL
Chi-restraints excluded: chain H residue  105 VAL
Chi-restraints excluded: chain H residue  123 LEU
Chi-restraints excluded: chain H residue  126 ARG
Chi-restraints excluded: chain H residue  127 VAL
Chi-restraints excluded: chain H residue  156 LEU
Chi-restraints excluded: chain H residue  185 THR
Chi-restraints excluded: chain H residue  189 HIS
Chi-restraints excluded: chain I residue   28 ASP
Chi-restraints excluded: chain I residue   97 LEU
Chi-restraints excluded: chain I residue  124 VAL
Chi-restraints excluded: chain I residue  151 GLN
Chi-restraints excluded: chain I residue  180 THR
Chi-restraints excluded: chain J residue   31 SER
Chi-restraints excluded: chain J residue   55 VAL
Chi-restraints excluded: chain J residue   68 ARG
Chi-restraints excluded: chain J residue  105 ILE
Chi-restraints excluded: chain J residue  121 ASN
Chi-restraints excluded: chain J residue  122 VAL
Chi-restraints excluded: chain K residue    6 ILE
Chi-restraints excluded: chain K residue   33 GLU
Chi-restraints excluded: chain K residue   52 ASN
Chi-restraints excluded: chain K residue   92 THR
Chi-restraints excluded: chain L residue   11 ILE
Chi-restraints excluded: chain L residue  123 LEU
Chi-restraints excluded: chain M residue    1 SER
Chi-restraints excluded: chain M residue   29 SER
Chi-restraints excluded: chain M residue   46 GLU
Chi-restraints excluded: chain M residue   57 GLU
Chi-restraints excluded: chain M residue   58 LEU
Chi-restraints excluded: chain M residue   71 VAL
Chi-restraints excluded: chain M residue  110 MET
Chi-restraints excluded: chain M residue  113 ARG
Chi-restraints excluded: chain M residue  128 VAL
Chi-restraints excluded: chain N residue   28 VAL
Chi-restraints excluded: chain N residue   29 ILE
Chi-restraints excluded: chain N residue   36 GLN
Chi-restraints excluded: chain N residue   56 MET
Chi-restraints excluded: chain N residue   59 LYS
Chi-restraints excluded: chain N residue   71 ILE
Chi-restraints excluded: chain N residue  121 ARG
Chi-restraints excluded: chain O residue   24 GLU
Chi-restraints excluded: chain O residue   40 ILE
Chi-restraints excluded: chain O residue   59 LYS
Chi-restraints excluded: chain P residue   73 VAL
Chi-restraints excluded: chain P residue   78 ILE
Chi-restraints excluded: chain P residue   96 ILE
Chi-restraints excluded: chain Q residue   51 VAL
Chi-restraints excluded: chain Q residue   54 VAL
Chi-restraints excluded: chain Q residue   57 THR
Chi-restraints excluded: chain Q residue   58 ASN
Chi-restraints excluded: chain Q residue   88 ASP
Chi-restraints excluded: chain Q residue   96 THR
Chi-restraints excluded: chain R residue   57 ASP
Chi-restraints excluded: chain R residue   84 CYS
Chi-restraints excluded: chain R residue  101 THR
Chi-restraints excluded: chain R residue  107 THR
Chi-restraints excluded: chain S residue   63 CYS
Chi-restraints excluded: chain S residue   85 GLU
Chi-restraints excluded: chain T residue   24 THR
Chi-restraints excluded: chain T residue   26 VAL
Chi-restraints excluded: chain U residue   19 VAL
Chi-restraints excluded: chain U residue   23 ASP
Chi-restraints excluded: chain V residue    7 LEU
Chi-restraints excluded: chain V residue   15 LYS
Chi-restraints excluded: chain V residue   21 VAL
Chi-restraints excluded: chain V residue   22 VAL
Chi-restraints excluded: chain V residue   32 ILE
Chi-restraints excluded: chain V residue   56 ASP
Chi-restraints excluded: chain V residue   64 ARG
Chi-restraints excluded: chain V residue   69 THR
Chi-restraints excluded: chain V residue   74 LEU
Chi-restraints excluded: chain V residue   82 VAL
Chi-restraints excluded: chain W residue   25 ILE
Chi-restraints excluded: chain W residue   33 THR
Chi-restraints excluded: chain W residue   35 SER
Chi-restraints excluded: chain W residue   50 TYR
Chi-restraints excluded: chain X residue    3 SER
Chi-restraints excluded: chain X residue   15 LEU
Chi-restraints excluded: chain Y residue   20 ASN
Chi-restraints excluded: chain Z residue   18 PHE
Chi-restraints excluded: chain Z residue   28 LEU
Chi-restraints excluded: chain Z residue   48 LYS
Chi-restraints excluded: chain Z residue   61 ARG
Chi-restraints excluded: chain a residue  166 ASP
Chi-restraints excluded: chain a residue  192 LEU
Rotamers are restrained with sigma=1.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 1057
   random chunks:
   chunk 514 optimal weight:    3.9990
   chunk 666 optimal weight:    7.9990
   chunk 893 optimal weight:    6.9990
   chunk 256 optimal weight:    4.9990
   chunk 773 optimal weight:   10.0000
   chunk 123 optimal weight:   50.0000
   chunk 233 optimal weight:    0.8980
   chunk 839 optimal weight:   50.0000
   chunk 351 optimal weight:    6.9990
   chunk 862 optimal weight:    6.9990
   chunk 106 optimal weight:    2.9990
   overall best weight:    3.9788

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

Flipped N/Q/H residues before XYZ refinement:
** c  36 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
d  90 GLN
** e 134 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
f  37 ASN
f  44 HIS
** f  72 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** f 115 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
g  11 ASN
** g  73 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** h  57 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** i  42 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
j 136 GLN
k  90 ASN
** k  93 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
m   3 GLN
** n  31 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
r  12 HIS
s  61 ASN
** t  48 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
u  39 ASN
w   8 ASN
y  20 ASN
H  31 ASN
J  69 ASN
J 145 ASN
** K  11 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** K  68 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
** L  67 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** L 141 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** L 147 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** M  17 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
M  37 ASN
N  49 GLN
Q  71 HIS
Q  74 GLN
R  51 GLN
S  65 GLN
** T  45 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
T  61 GLN
** U  26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** V  30 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** X  13 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** Y   2 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
Y  12 GLN
** Y  60 GLN ** both conformations clash, **PLEASE CHECK MANUALLY**
** Y  74 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**

Total number of N/Q/H flips: 23

-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.3951 r_free = 0.3951 target = 0.136781 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 48)----------------|
| r_work = 0.3402 r_free = 0.3402 target = 0.098951 restraints weight = 299070.301|
|-----------------------------------------------------------------------------|
r_work (start): 0.3363 rms_B_bonded: 1.30
r_work: 0.3254 rms_B_bonded: 2.29 restraints_weight: 0.5000
r_work: 0.3158 rms_B_bonded: 3.78 restraints_weight: 0.2500
r_work (final): 0.3158
-------------------------------------------------------------------------------
Occupancy refinement
********************
r_start: 0.3150
|-occupancy refinement: start-------------------------------------------------|
| r_work = 0.3150 r_free = 0.3150    target_work(ls_wunit_k1) = 0.084         |
| occupancies: max = 1.00  min = 0.50   number of occupancies < 0.1:        0 |
|-----------------------------------------------------------------------------|
|-occupancy refinement: end---------------------------------------------------|
| r_work = 0.3150 r_free = 0.3150    target_work(ls_wunit_k1) = 0.084         |
| occupancies: max = 1.00  min = 0.41   number of occupancies < 0.1:        0 |
|-----------------------------------------------------------------------------|
r_final: 0.3150
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8501
moved from start:          0.4108

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.004   0.074 163217  Z= 0.273
  Angle     :  0.674  15.736 244200  Z= 0.342
  Chirality :  0.038   0.345  31236
  Planarity :  0.005   0.082  13083
  Dihedral  : 23.277 179.702  81778
  Min Nonbonded Distance : 1.947

Molprobity Statistics.
  All-atom Clashscore : 15.83
  Ramachandran Plot:
    Outliers :  0.20 %
    Allowed  :  9.21 %
    Favored  : 90.59 %
  Rotamer:
    Outliers :  5.27 %
    Allowed  : 38.92 %
    Favored  : 55.80 %
  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: -2.31 (0.10), residues: 5919
  helix: -0.71 (0.12), residues: 1845
  sheet: -1.58 (0.16), residues: 978
  loop : -2.04 (0.10), residues: 3096

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.031   0.002   TRP b 212 
 HIS   0.006   0.001   HIS b 141 
 PHE   0.033   0.002   PHE L  25 
 TYR   0.037   0.002   TYR o  99 
 ARG   0.019   0.001   ARG f  54 
Origin is already at (0, 0, 0), no shifts will be applied

===============================================================================
Job complete
usr+sys time: 71363.38 seconds
wall clock time: 1229 minutes 19.43 seconds (73759.43 seconds total)